USER MOD reduce.3.24.130724 H: found=0, std=0, add=1142, rem=0, adj=45 USER MOD reduce.3.24.130724 removed 967 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 93 TYR OH : rot -178:sc= 0.702 USER MOD Set 1.2: A 131 ASN :FLIP amide:sc= -0.698 F(o=-2.1!,f=0.0045) USER MOD Set 2.1: A 103 MET CE :methyl -171:sc= -1.13 (180deg=-1.35) USER MOD Set 2.2: A 117 MET CE :methyl -177:sc= -0.726 (180deg=-0.775) USER MOD Set 3.1: A 79 TYR OH : rot -119:sc= 2.48 USER MOD Set 3.2: A 106 HIS : no HE2:sc= 0.477 K(o=5.1,f=-4.3!) USER MOD Set 3.3: A 107 CYS SG : rot 70:sc= 2.11 USER MOD Set 4.1: A 92 THR OG1 : rot -92:sc= 0.0352 USER MOD Set 4.2: A 95 ASN :FLIP amide:sc= -1.73 F(o=-3.1!,f=-1.7) USER MOD Set 5.1: A 65 SER OG : rot 35:sc= 0.00378 USER MOD Set 5.2: A 84 LYS NZ :NH3+ 167:sc= 0.00308 (180deg=0) USER MOD Set 6.1: A 77 TYR OH : rot 166:sc=-0.00418 USER MOD Set 6.2: A 110 ASN :FLIP amide:sc= 1.33 F(o=-0.5!,f=1.3) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 150:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 CYS SG : rot -81:sc= -2.25! USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 64:sc= 0.376 USER MOD Single : A 29 SER OG : rot 180:sc= 0.443 USER MOD Single : A 32 HIS : no HD1:sc= -0.835 K(o=-0.84,f=-1.3) USER MOD Single : A 33 CYS SG : rot 180:sc= -2.02 USER MOD Single : A 35 SER OG : rot 150:sc= 0 USER MOD Single : A 38 CYS SG : rot 41:sc= 0.73 USER MOD Single : A 40 MET CE :methyl -159:sc= -0.393 (180deg=-0.456) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 169:sc= -0.0149 (180deg=-0.167) USER MOD Single : A 51 LYS NZ :NH3+ -144:sc= -0.935 (180deg=-2.48!) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 ASN :FLIP amide:sc= -2.55! C(o=-4.1!,f=-2.6!) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 63 LYS NZ :NH3+ -161:sc= 1.17 (180deg=0.864) USER MOD Single : A 64 LYS NZ :NH3+ 172:sc= 1.28 (180deg=1.2) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot -91:sc= 1.22 USER MOD Single : A 85 LYS NZ :NH3+ -128:sc= 0.857 (180deg=0.388) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 HIS :FLIP no HD1:sc= -0.087 F(o=-0.8,f=-0.087) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 80:sc= 1.08 USER MOD Single : A 104 LYS NZ :NH3+ 174:sc= 1.09 (180deg=1.06) USER MOD Single : A 105 SER OG : rot 79:sc= 1.22 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot -8:sc= 0.55 USER MOD Single : A 122 CYS SG : rot -10:sc= -0.991! USER MOD Single : A 128 GLN : amide:sc= -0.49 X(o=-0.49,f=-0.64) USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 135 MET CE :methyl 177:sc= -0.77 (180deg=-0.848) USER MOD Single : A 143 THR OG1 : rot -46:sc= 1.2 USER MOD Single : A 146 LYS NZ :NH3+ -159:sc= 0.951 (180deg=0.63) USER MOD Single : A 148 THR OG1 : rot 180:sc= 0 USER MOD Single : A 150 TYR OH : rot 180:sc= 0 USER MOD Single : A 151 THR OG1 : rot -100:sc= 0.633 USER MOD ----------------------------------------------------------------- ATOM 125 N ARG A 13 -15.196 0.119 -0.929 1.00 2.31 N ATOM 126 CA ARG A 13 -14.230 0.312 0.127 1.00 14.31 C ATOM 127 C ARG A 13 -12.918 0.350 -0.589 1.00 64.05 C ATOM 128 O ARG A 13 -12.058 1.198 -0.354 1.00 4.41 O ATOM 129 CB ARG A 13 -14.242 -0.873 1.082 1.00 33.04 C ATOM 130 CG ARG A 13 -15.569 -1.138 1.756 1.00 5.33 C ATOM 131 CD ARG A 13 -15.482 -2.410 2.552 1.00 72.21 C ATOM 132 NE ARG A 13 -16.726 -2.752 3.233 1.00 32.34 N ATOM 133 CZ ARG A 13 -17.223 -3.994 3.301 1.00 24.21 C ATOM 134 NH1 ARG A 13 -16.736 -4.961 2.512 1.00 41.44 N ATOM 135 NH2 ARG A 13 -18.254 -4.246 4.092 1.00 71.20 N ATOM 0 HA ARG A 13 -14.433 1.207 0.715 1.00 14.31 H new ATOM 0 HB2 ARG A 13 -13.946 -1.766 0.532 1.00 33.04 H new ATOM 0 HB3 ARG A 13 -13.488 -0.708 1.851 1.00 33.04 H new ATOM 0 HG2 ARG A 13 -15.830 -0.305 2.409 1.00 5.33 H new ATOM 0 HG3 ARG A 13 -16.359 -1.217 1.009 1.00 5.33 H new ATOM 0 HD2 ARG A 13 -15.203 -3.228 1.887 1.00 72.21 H new ATOM 0 HD3 ARG A 13 -14.686 -2.314 3.291 1.00 72.21 H new ATOM 0 HE ARG A 13 -17.248 -2.001 3.684 1.00 32.34 H new ATOM 0 HH11 ARG A 13 -15.983 -4.753 1.856 1.00 41.44 H new ATOM 0 HH12 ARG A 13 -17.118 -5.905 2.568 1.00 41.44 H new ATOM 0 HH21 ARG A 13 -18.667 -3.496 4.647 1.00 71.20 H new ATOM 0 HH22 ARG A 13 -18.636 -5.190 4.147 1.00 71.20 H new ATOM 147 N ILE A 14 -12.799 -0.599 -1.494 1.00 13.24 N ATOM 148 CA ILE A 14 -11.727 -0.674 -2.406 1.00 14.01 C ATOM 149 C ILE A 14 -12.258 -0.310 -3.769 1.00 43.55 C ATOM 150 O ILE A 14 -13.109 -1.012 -4.328 1.00 34.42 O ATOM 151 CB ILE A 14 -11.098 -2.079 -2.463 1.00 50.15 C ATOM 152 CG1 ILE A 14 -10.461 -2.435 -1.124 1.00 50.12 C ATOM 153 CG2 ILE A 14 -10.073 -2.162 -3.586 1.00 12.33 C ATOM 154 CD1 ILE A 14 -9.815 -3.786 -1.110 1.00 53.43 C ATOM 0 H ILE A 14 -13.478 -1.353 -1.601 1.00 13.24 H new ATOM 0 HA ILE A 14 -10.945 0.011 -2.079 1.00 14.01 H new ATOM 0 HB ILE A 14 -11.888 -2.801 -2.669 1.00 50.15 H new ATOM 0 HG12 ILE A 14 -9.714 -1.681 -0.874 1.00 50.12 H new ATOM 0 HG13 ILE A 14 -11.224 -2.398 -0.346 1.00 50.12 H new ATOM 0 HG21 ILE A 14 -9.640 -3.162 -3.610 1.00 12.33 H new ATOM 0 HG22 ILE A 14 -10.560 -1.954 -4.539 1.00 12.33 H new ATOM 0 HG23 ILE A 14 -9.285 -1.429 -3.414 1.00 12.33 H new ATOM 0 HD11 ILE A 14 -9.383 -3.972 -0.127 1.00 53.43 H new ATOM 0 HD12 ILE A 14 -10.562 -4.549 -1.329 1.00 53.43 H new ATOM 0 HD13 ILE A 14 -9.029 -3.821 -1.864 1.00 53.43 H new ATOM 161 N THR A 15 -11.795 0.772 -4.266 1.00 42.54 N ATOM 162 CA THR A 15 -12.194 1.245 -5.558 1.00 54.53 C ATOM 163 C THR A 15 -11.285 0.607 -6.587 1.00 25.52 C ATOM 164 O THR A 15 -10.061 0.798 -6.555 1.00 44.22 O ATOM 165 CB THR A 15 -12.086 2.779 -5.623 1.00 34.21 C ATOM 166 OG1 THR A 15 -12.836 3.341 -4.535 1.00 21.14 O ATOM 167 CG2 THR A 15 -12.642 3.315 -6.941 1.00 52.31 C ATOM 0 H THR A 15 -11.119 1.371 -3.791 1.00 42.54 H new ATOM 0 HA THR A 15 -13.232 0.977 -5.755 1.00 54.53 H new ATOM 0 HB THR A 15 -11.035 3.059 -5.554 1.00 34.21 H new ATOM 0 HG1 THR A 15 -12.773 4.319 -4.565 1.00 21.14 H new ATOM 0 HG21 THR A 15 -12.553 4.401 -6.959 1.00 52.31 H new ATOM 0 HG22 THR A 15 -12.079 2.891 -7.773 1.00 52.31 H new ATOM 0 HG23 THR A 15 -13.692 3.036 -7.033 1.00 52.31 H new ATOM 173 N TYR A 16 -11.857 -0.177 -7.453 1.00 33.34 N ATOM 174 CA TYR A 16 -11.095 -0.892 -8.412 1.00 21.33 C ATOM 175 C TYR A 16 -10.984 -0.037 -9.668 1.00 3.23 C ATOM 176 O TYR A 16 -11.980 0.226 -10.344 1.00 20.44 O ATOM 177 CB TYR A 16 -11.824 -2.197 -8.712 1.00 14.30 C ATOM 178 CG TYR A 16 -10.925 -3.343 -9.036 1.00 51.35 C ATOM 179 CD1 TYR A 16 -10.319 -4.027 -8.009 1.00 10.42 C ATOM 180 CD2 TYR A 16 -10.686 -3.751 -10.331 1.00 13.13 C ATOM 181 CE1 TYR A 16 -9.490 -5.095 -8.243 1.00 5.14 C ATOM 182 CE2 TYR A 16 -9.853 -4.824 -10.589 1.00 31.44 C ATOM 183 CZ TYR A 16 -9.257 -5.493 -9.536 1.00 72.35 C ATOM 184 OH TYR A 16 -8.432 -6.563 -9.781 1.00 4.55 O ATOM 0 H TYR A 16 -12.864 -0.333 -7.508 1.00 33.34 H new ATOM 0 HA TYR A 16 -10.093 -1.115 -8.045 1.00 21.33 H new ATOM 0 HB2 TYR A 16 -12.437 -2.463 -7.851 1.00 14.30 H new ATOM 0 HB3 TYR A 16 -12.504 -2.036 -9.549 1.00 14.30 H new ATOM 0 HD1 TYR A 16 -10.500 -3.715 -6.991 1.00 10.42 H new ATOM 0 HD2 TYR A 16 -11.154 -3.228 -11.152 1.00 13.13 H new ATOM 0 HE1 TYR A 16 -9.026 -5.617 -7.419 1.00 5.14 H new ATOM 0 HE2 TYR A 16 -9.669 -5.137 -11.606 1.00 31.44 H new ATOM 0 HH TYR A 16 -8.717 -7.015 -10.603 1.00 4.55 H new ATOM 194 N VAL A 17 -9.794 0.404 -9.974 1.00 34.31 N ATOM 195 CA VAL A 17 -9.582 1.238 -11.127 1.00 3.43 C ATOM 196 C VAL A 17 -8.443 0.696 -11.953 1.00 3.41 C ATOM 197 O VAL A 17 -7.453 0.181 -11.417 1.00 24.41 O ATOM 198 CB VAL A 17 -9.331 2.742 -10.743 1.00 43.32 C ATOM 199 CG1 VAL A 17 -8.090 2.914 -9.900 1.00 72.23 C ATOM 200 CG2 VAL A 17 -9.275 3.637 -11.975 1.00 70.20 C ATOM 0 H VAL A 17 -8.951 0.198 -9.438 1.00 34.31 H new ATOM 0 HA VAL A 17 -10.496 1.217 -11.720 1.00 3.43 H new ATOM 0 HB VAL A 17 -10.184 3.053 -10.140 1.00 43.32 H new ATOM 0 HG11 VAL A 17 -7.957 3.969 -9.659 1.00 72.23 H new ATOM 0 HG12 VAL A 17 -8.194 2.342 -8.978 1.00 72.23 H new ATOM 0 HG13 VAL A 17 -7.222 2.556 -10.453 1.00 72.23 H new ATOM 0 HG21 VAL A 17 -9.100 4.668 -11.668 1.00 70.20 H new ATOM 0 HG22 VAL A 17 -8.464 3.310 -12.626 1.00 70.20 H new ATOM 0 HG23 VAL A 17 -10.221 3.574 -12.514 1.00 70.20 H new ATOM 206 N LYS A 18 -8.585 0.772 -13.235 1.00 54.44 N ATOM 207 CA LYS A 18 -7.562 0.317 -14.105 1.00 33.44 C ATOM 208 C LYS A 18 -6.592 1.458 -14.330 1.00 33.23 C ATOM 209 O LYS A 18 -6.976 2.518 -14.848 1.00 61.11 O ATOM 210 CB LYS A 18 -8.147 -0.155 -15.429 1.00 33.14 C ATOM 211 CG LYS A 18 -7.121 -0.780 -16.357 1.00 40.23 C ATOM 212 CD LYS A 18 -7.728 -1.226 -17.675 1.00 54.33 C ATOM 213 CE LYS A 18 -8.272 -0.055 -18.474 1.00 12.22 C ATOM 214 NZ LYS A 18 -8.776 -0.487 -19.787 1.00 40.13 N ATOM 0 H LYS A 18 -9.409 1.149 -13.703 1.00 54.44 H new ATOM 0 HA LYS A 18 -7.046 -0.531 -13.656 1.00 33.44 H new ATOM 0 HB2 LYS A 18 -8.935 -0.881 -15.230 1.00 33.14 H new ATOM 0 HB3 LYS A 18 -8.613 0.691 -15.933 1.00 33.14 H new ATOM 0 HG2 LYS A 18 -6.325 -0.061 -16.552 1.00 40.23 H new ATOM 0 HG3 LYS A 18 -6.663 -1.637 -15.863 1.00 40.23 H new ATOM 0 HD2 LYS A 18 -6.974 -1.748 -18.264 1.00 54.33 H new ATOM 0 HD3 LYS A 18 -8.531 -1.938 -17.482 1.00 54.33 H new ATOM 0 HE2 LYS A 18 -9.075 0.427 -17.915 1.00 12.22 H new ATOM 0 HE3 LYS A 18 -7.488 0.689 -18.611 1.00 12.22 H new ATOM 0 HZ1 LYS A 18 -9.140 0.337 -20.307 1.00 40.13 H new ATOM 0 HZ2 LYS A 18 -8.003 -0.925 -20.329 1.00 40.13 H new ATOM 0 HZ3 LYS A 18 -9.541 -1.179 -19.655 1.00 40.13 H new ATOM 228 N GLY A 19 -5.374 1.278 -13.917 1.00 43.51 N ATOM 229 CA GLY A 19 -4.408 2.321 -14.097 1.00 62.04 C ATOM 230 C GLY A 19 -3.086 2.002 -13.482 1.00 31.13 C ATOM 231 O GLY A 19 -2.936 0.977 -12.822 1.00 65.14 O ATOM 0 H GLY A 19 -5.028 0.434 -13.460 1.00 43.51 H new ATOM 0 HA2 GLY A 19 -4.272 2.503 -15.163 1.00 62.04 H new ATOM 0 HA3 GLY A 19 -4.792 3.244 -13.662 1.00 62.04 H new ATOM 235 N ASP A 20 -2.142 2.884 -13.692 1.00 41.40 N ATOM 236 CA ASP A 20 -0.797 2.734 -13.177 1.00 72.14 C ATOM 237 C ASP A 20 -0.732 3.370 -11.796 1.00 73.14 C ATOM 238 O ASP A 20 -1.305 4.448 -11.576 1.00 4.52 O ATOM 239 CB ASP A 20 0.187 3.430 -14.115 1.00 41.41 C ATOM 240 CG ASP A 20 1.634 3.267 -13.706 1.00 12.53 C ATOM 241 OD1 ASP A 20 2.099 3.999 -12.813 1.00 1.54 O ATOM 242 OD2 ASP A 20 2.341 2.438 -14.312 1.00 51.44 O ATOM 0 H ASP A 20 -2.284 3.738 -14.231 1.00 41.40 H new ATOM 0 HA ASP A 20 -0.536 1.678 -13.110 1.00 72.14 H new ATOM 0 HB2 ASP A 20 0.056 3.035 -15.123 1.00 41.41 H new ATOM 0 HB3 ASP A 20 -0.053 4.493 -14.156 1.00 41.41 H new ATOM 247 N LEU A 21 -0.038 2.739 -10.884 1.00 13.32 N ATOM 248 CA LEU A 21 0.004 3.196 -9.512 1.00 21.23 C ATOM 249 C LEU A 21 0.854 4.457 -9.336 1.00 64.02 C ATOM 250 O LEU A 21 0.607 5.256 -8.451 1.00 44.24 O ATOM 251 CB LEU A 21 0.481 2.090 -8.579 1.00 64.14 C ATOM 252 CG LEU A 21 0.449 2.420 -7.089 1.00 31.02 C ATOM 253 CD1 LEU A 21 -0.971 2.688 -6.624 1.00 74.40 C ATOM 254 CD2 LEU A 21 1.058 1.313 -6.292 1.00 44.31 C ATOM 0 H LEU A 21 0.512 1.899 -11.066 1.00 13.32 H new ATOM 0 HA LEU A 21 -1.018 3.462 -9.243 1.00 21.23 H new ATOM 0 HB2 LEU A 21 -0.133 1.206 -8.750 1.00 64.14 H new ATOM 0 HB3 LEU A 21 1.503 1.826 -8.852 1.00 64.14 H new ATOM 0 HG LEU A 21 1.036 3.325 -6.931 1.00 31.02 H new ATOM 0 HD11 LEU A 21 -0.967 2.921 -5.559 1.00 74.40 H new ATOM 0 HD12 LEU A 21 -1.382 3.532 -7.178 1.00 74.40 H new ATOM 0 HD13 LEU A 21 -1.584 1.804 -6.800 1.00 74.40 H new ATOM 0 HD21 LEU A 21 1.026 1.567 -5.233 1.00 44.31 H new ATOM 0 HD22 LEU A 21 0.499 0.393 -6.462 1.00 44.31 H new ATOM 0 HD23 LEU A 21 2.094 1.170 -6.600 1.00 44.31 H new ATOM 262 N PHE A 22 1.845 4.642 -10.160 1.00 71.22 N ATOM 263 CA PHE A 22 2.700 5.810 -10.029 1.00 30.32 C ATOM 264 C PHE A 22 2.061 7.054 -10.601 1.00 63.22 C ATOM 265 O PHE A 22 2.631 8.144 -10.540 1.00 53.51 O ATOM 266 CB PHE A 22 4.095 5.561 -10.583 1.00 24.10 C ATOM 267 CG PHE A 22 4.794 4.509 -9.809 1.00 22.51 C ATOM 268 CD1 PHE A 22 5.430 4.826 -8.625 1.00 54.14 C ATOM 269 CD2 PHE A 22 4.780 3.197 -10.227 1.00 54.00 C ATOM 270 CE1 PHE A 22 6.045 3.856 -7.883 1.00 43.02 C ATOM 271 CE2 PHE A 22 5.381 2.228 -9.489 1.00 72.51 C ATOM 272 CZ PHE A 22 6.019 2.554 -8.313 1.00 22.55 C ATOM 0 H PHE A 22 2.088 4.013 -10.925 1.00 71.22 H new ATOM 0 HA PHE A 22 2.821 5.995 -8.962 1.00 30.32 H new ATOM 0 HB2 PHE A 22 4.027 5.263 -11.629 1.00 24.10 H new ATOM 0 HB3 PHE A 22 4.673 6.485 -10.552 1.00 24.10 H new ATOM 0 HD1 PHE A 22 5.442 5.850 -8.282 1.00 54.14 H new ATOM 0 HD2 PHE A 22 4.286 2.936 -11.151 1.00 54.00 H new ATOM 0 HE1 PHE A 22 6.549 4.114 -6.963 1.00 43.02 H new ATOM 0 HE2 PHE A 22 5.359 1.202 -9.825 1.00 72.51 H new ATOM 0 HZ PHE A 22 6.500 1.783 -7.729 1.00 22.55 H new ATOM 282 N ALA A 23 0.874 6.890 -11.135 1.00 62.34 N ATOM 283 CA ALA A 23 0.108 7.983 -11.680 1.00 3.12 C ATOM 284 C ALA A 23 -0.875 8.509 -10.632 1.00 1.54 C ATOM 285 O ALA A 23 -1.777 9.294 -10.942 1.00 41.43 O ATOM 286 CB ALA A 23 -0.637 7.522 -12.918 1.00 61.31 C ATOM 0 H ALA A 23 0.409 5.985 -11.204 1.00 62.34 H new ATOM 0 HA ALA A 23 0.785 8.791 -11.957 1.00 3.12 H new ATOM 0 HB1 ALA A 23 -1.214 8.352 -13.326 1.00 61.31 H new ATOM 0 HB2 ALA A 23 0.078 7.176 -13.665 1.00 61.31 H new ATOM 0 HB3 ALA A 23 -1.311 6.707 -12.655 1.00 61.31 H new ATOM 292 N CYS A 24 -0.695 8.082 -9.395 1.00 55.25 N ATOM 293 CA CYS A 24 -1.550 8.515 -8.303 1.00 32.01 C ATOM 294 C CYS A 24 -1.227 9.935 -7.852 1.00 54.33 C ATOM 295 O CYS A 24 -0.057 10.373 -7.907 1.00 64.54 O ATOM 296 CB CYS A 24 -1.456 7.559 -7.126 1.00 54.51 C ATOM 297 SG CYS A 24 -1.991 5.901 -7.511 1.00 54.31 S ATOM 0 H CYS A 24 0.041 7.431 -9.120 1.00 55.25 H new ATOM 0 HA CYS A 24 -2.572 8.510 -8.681 1.00 32.01 H new ATOM 0 HB2 CYS A 24 -0.424 7.527 -6.776 1.00 54.51 H new ATOM 0 HB3 CYS A 24 -2.060 7.946 -6.305 1.00 54.51 H new ATOM 0 HG CYS A 24 -3.289 5.842 -7.464 1.00 54.31 H new ATOM 303 N PRO A 25 -2.260 10.686 -7.426 1.00 35.11 N ATOM 304 CA PRO A 25 -2.108 12.057 -6.922 1.00 61.40 C ATOM 305 C PRO A 25 -1.221 12.144 -5.674 1.00 22.04 C ATOM 306 O PRO A 25 -0.894 11.137 -5.038 1.00 40.03 O ATOM 307 CB PRO A 25 -3.538 12.440 -6.531 1.00 61.11 C ATOM 308 CG PRO A 25 -4.402 11.569 -7.353 1.00 60.41 C ATOM 309 CD PRO A 25 -3.680 10.270 -7.429 1.00 2.10 C ATOM 0 HA PRO A 25 -1.637 12.699 -7.666 1.00 61.40 H new ATOM 0 HB2 PRO A 25 -3.713 12.280 -5.467 1.00 61.11 H new ATOM 0 HB3 PRO A 25 -3.734 13.493 -6.731 1.00 61.11 H new ATOM 0 HG2 PRO A 25 -5.386 11.448 -6.899 1.00 60.41 H new ATOM 0 HG3 PRO A 25 -4.559 11.992 -8.345 1.00 60.41 H new ATOM 0 HD2 PRO A 25 -3.915 9.626 -6.582 1.00 2.10 H new ATOM 0 HD3 PRO A 25 -3.938 9.716 -8.332 1.00 2.10 H new ATOM 317 N LYS A 26 -0.867 13.358 -5.322 1.00 73.35 N ATOM 318 CA LYS A 26 -0.070 13.641 -4.139 1.00 1.34 C ATOM 319 C LYS A 26 -0.922 13.472 -2.879 1.00 75.51 C ATOM 320 O LYS A 26 -0.412 13.286 -1.777 1.00 41.42 O ATOM 321 CB LYS A 26 0.443 15.077 -4.221 1.00 62.33 C ATOM 322 CG LYS A 26 1.205 15.536 -3.001 1.00 2.23 C ATOM 323 CD LYS A 26 1.592 16.981 -3.120 1.00 31.45 C ATOM 324 CE LYS A 26 2.262 17.472 -1.861 1.00 22.32 C ATOM 325 NZ LYS A 26 2.613 18.892 -1.954 1.00 4.54 N ATOM 0 H LYS A 26 -1.125 14.191 -5.852 1.00 73.35 H new ATOM 0 HA LYS A 26 0.769 12.947 -4.091 1.00 1.34 H new ATOM 0 HB2 LYS A 26 1.089 15.170 -5.094 1.00 62.33 H new ATOM 0 HB3 LYS A 26 -0.404 15.745 -4.378 1.00 62.33 H new ATOM 0 HG2 LYS A 26 0.593 15.392 -2.110 1.00 2.23 H new ATOM 0 HG3 LYS A 26 2.099 14.926 -2.876 1.00 2.23 H new ATOM 0 HD2 LYS A 26 2.265 17.111 -3.968 1.00 31.45 H new ATOM 0 HD3 LYS A 26 0.705 17.582 -3.321 1.00 31.45 H new ATOM 0 HE2 LYS A 26 1.598 17.316 -1.011 1.00 22.32 H new ATOM 0 HE3 LYS A 26 3.162 16.886 -1.675 1.00 22.32 H new ATOM 0 HZ1 LYS A 26 3.071 19.195 -1.071 1.00 4.54 H new ATOM 0 HZ2 LYS A 26 3.266 19.037 -2.750 1.00 4.54 H new ATOM 0 HZ3 LYS A 26 1.751 19.453 -2.107 1.00 4.54 H new ATOM 339 N THR A 27 -2.209 13.507 -3.069 1.00 32.52 N ATOM 340 CA THR A 27 -3.162 13.432 -1.994 1.00 43.21 C ATOM 341 C THR A 27 -3.351 12.007 -1.498 1.00 23.20 C ATOM 342 O THR A 27 -3.867 11.788 -0.406 1.00 45.13 O ATOM 343 CB THR A 27 -4.512 13.982 -2.477 1.00 2.23 C ATOM 344 OG1 THR A 27 -4.865 13.350 -3.741 1.00 60.04 O ATOM 345 CG2 THR A 27 -4.446 15.491 -2.660 1.00 74.04 C ATOM 0 H THR A 27 -2.636 13.590 -3.992 1.00 32.52 H new ATOM 0 HA THR A 27 -2.778 14.026 -1.165 1.00 43.21 H new ATOM 0 HB THR A 27 -5.270 13.759 -1.726 1.00 2.23 H new ATOM 0 HG1 THR A 27 -4.991 12.388 -3.602 1.00 60.04 H new ATOM 0 HG21 THR A 27 -5.413 15.859 -3.003 1.00 74.04 H new ATOM 0 HG22 THR A 27 -4.195 15.962 -1.710 1.00 74.04 H new ATOM 0 HG23 THR A 27 -3.683 15.735 -3.399 1.00 74.04 H new ATOM 351 N ASP A 28 -2.926 11.055 -2.287 1.00 74.43 N ATOM 352 CA ASP A 28 -3.107 9.656 -1.954 1.00 51.14 C ATOM 353 C ASP A 28 -1.774 9.011 -1.591 1.00 32.35 C ATOM 354 O ASP A 28 -0.755 9.276 -2.231 1.00 2.33 O ATOM 355 CB ASP A 28 -3.786 8.920 -3.124 1.00 14.10 C ATOM 356 CG ASP A 28 -5.197 9.428 -3.409 1.00 62.02 C ATOM 357 OD1 ASP A 28 -5.358 10.561 -3.956 1.00 32.31 O ATOM 358 OD2 ASP A 28 -6.172 8.719 -3.088 1.00 55.54 O ATOM 0 H ASP A 28 -2.448 11.220 -3.173 1.00 74.43 H new ATOM 0 HA ASP A 28 -3.756 9.581 -1.081 1.00 51.14 H new ATOM 0 HB2 ASP A 28 -3.177 9.034 -4.021 1.00 14.10 H new ATOM 0 HB3 ASP A 28 -3.828 7.854 -2.900 1.00 14.10 H new ATOM 363 N SER A 29 -1.778 8.196 -0.547 1.00 10.24 N ATOM 364 CA SER A 29 -0.574 7.522 -0.089 1.00 15.22 C ATOM 365 C SER A 29 -0.412 6.155 -0.768 1.00 2.25 C ATOM 366 O SER A 29 -1.381 5.428 -0.941 1.00 53.12 O ATOM 367 CB SER A 29 -0.594 7.382 1.433 1.00 21.32 C ATOM 368 OG SER A 29 -0.584 8.660 2.062 1.00 5.13 O ATOM 0 H SER A 29 -2.611 7.985 0.003 1.00 10.24 H new ATOM 0 HA SER A 29 0.287 8.129 -0.368 1.00 15.22 H new ATOM 0 HB2 SER A 29 -1.482 6.829 1.739 1.00 21.32 H new ATOM 0 HB3 SER A 29 0.271 6.805 1.760 1.00 21.32 H new ATOM 0 HG SER A 29 -0.599 8.546 3.035 1.00 5.13 H new ATOM 374 N LEU A 30 0.811 5.823 -1.125 1.00 62.03 N ATOM 375 CA LEU A 30 1.126 4.605 -1.870 1.00 42.55 C ATOM 376 C LEU A 30 1.478 3.456 -0.935 1.00 25.11 C ATOM 377 O LEU A 30 2.410 3.556 -0.150 1.00 60.11 O ATOM 378 CB LEU A 30 2.305 4.885 -2.806 1.00 24.33 C ATOM 379 CG LEU A 30 2.053 5.918 -3.910 1.00 72.40 C ATOM 380 CD1 LEU A 30 3.358 6.412 -4.499 1.00 2.03 C ATOM 381 CD2 LEU A 30 1.267 5.266 -5.003 1.00 2.01 C ATOM 0 H LEU A 30 1.629 6.392 -0.907 1.00 62.03 H new ATOM 0 HA LEU A 30 0.246 4.313 -2.444 1.00 42.55 H new ATOM 0 HB2 LEU A 30 3.149 5.223 -2.205 1.00 24.33 H new ATOM 0 HB3 LEU A 30 2.603 3.947 -3.274 1.00 24.33 H new ATOM 0 HG LEU A 30 1.514 6.762 -3.480 1.00 72.40 H new ATOM 0 HD11 LEU A 30 3.151 7.144 -5.280 1.00 2.03 H new ATOM 0 HD12 LEU A 30 3.958 6.876 -3.716 1.00 2.03 H new ATOM 0 HD13 LEU A 30 3.906 5.572 -4.925 1.00 2.03 H new ATOM 0 HD21 LEU A 30 1.079 5.989 -5.797 1.00 2.01 H new ATOM 0 HD22 LEU A 30 1.831 4.424 -5.404 1.00 2.01 H new ATOM 0 HD23 LEU A 30 0.317 4.909 -4.605 1.00 2.01 H new ATOM 389 N ALA A 31 0.744 2.370 -1.026 1.00 1.33 N ATOM 390 CA ALA A 31 0.999 1.212 -0.187 1.00 51.33 C ATOM 391 C ALA A 31 1.276 -0.024 -1.021 1.00 61.24 C ATOM 392 O ALA A 31 0.788 -0.149 -2.142 1.00 24.02 O ATOM 393 CB ALA A 31 -0.169 0.958 0.739 1.00 70.01 C ATOM 0 H ALA A 31 -0.037 2.261 -1.673 1.00 1.33 H new ATOM 0 HA ALA A 31 1.885 1.427 0.410 1.00 51.33 H new ATOM 0 HB1 ALA A 31 0.041 0.087 1.359 1.00 70.01 H new ATOM 0 HB2 ALA A 31 -0.324 1.828 1.377 1.00 70.01 H new ATOM 0 HB3 ALA A 31 -1.068 0.776 0.150 1.00 70.01 H new ATOM 399 N HIS A 32 2.097 -0.910 -0.480 1.00 14.22 N ATOM 400 CA HIS A 32 2.424 -2.187 -1.107 1.00 1.33 C ATOM 401 C HIS A 32 3.190 -3.055 -0.135 1.00 61.50 C ATOM 402 O HIS A 32 3.649 -2.576 0.900 1.00 42.33 O ATOM 403 CB HIS A 32 3.224 -2.016 -2.420 1.00 42.31 C ATOM 404 CG HIS A 32 4.530 -1.297 -2.273 1.00 14.34 C ATOM 405 ND1 HIS A 32 5.760 -1.910 -2.431 1.00 2.23 N ATOM 406 CD2 HIS A 32 4.792 0.007 -2.039 1.00 32.43 C ATOM 407 CE1 HIS A 32 6.702 -1.017 -2.309 1.00 35.11 C ATOM 408 NE2 HIS A 32 6.144 0.153 -2.069 1.00 22.34 N ATOM 0 H HIS A 32 2.562 -0.764 0.416 1.00 14.22 H new ATOM 0 HA HIS A 32 1.483 -2.671 -1.370 1.00 1.33 H new ATOM 0 HB2 HIS A 32 3.414 -3.002 -2.844 1.00 42.31 H new ATOM 0 HB3 HIS A 32 2.606 -1.475 -3.137 1.00 42.31 H new ATOM 0 HD2 HIS A 32 4.066 0.786 -1.862 1.00 32.43 H new ATOM 0 HE1 HIS A 32 7.762 -1.204 -2.391 1.00 35.11 H new ATOM 0 HE2 HIS A 32 6.647 1.029 -1.928 1.00 22.34 H new ATOM 417 N CYS A 33 3.341 -4.299 -0.466 1.00 45.22 N ATOM 418 CA CYS A 33 4.050 -5.222 0.378 1.00 70.14 C ATOM 419 C CYS A 33 5.466 -5.403 -0.149 1.00 52.01 C ATOM 420 O CYS A 33 5.741 -5.078 -1.318 1.00 73.11 O ATOM 421 CB CYS A 33 3.332 -6.570 0.359 1.00 13.50 C ATOM 422 SG CYS A 33 1.569 -6.480 0.730 1.00 53.04 S ATOM 0 H CYS A 33 2.978 -4.708 -1.327 1.00 45.22 H new ATOM 0 HA CYS A 33 4.085 -4.835 1.396 1.00 70.14 H new ATOM 0 HB2 CYS A 33 3.461 -7.023 -0.624 1.00 13.50 H new ATOM 0 HB3 CYS A 33 3.810 -7.233 1.081 1.00 13.50 H new ATOM 0 HG CYS A 33 1.055 -7.673 0.686 1.00 53.04 H new ATOM 428 N ILE A 34 6.355 -5.855 0.717 1.00 5.34 N ATOM 429 CA ILE A 34 7.714 -6.262 0.361 1.00 2.22 C ATOM 430 C ILE A 34 8.153 -7.332 1.341 1.00 35.31 C ATOM 431 O ILE A 34 7.436 -7.628 2.307 1.00 53.21 O ATOM 432 CB ILE A 34 8.782 -5.106 0.386 1.00 42.01 C ATOM 433 CG1 ILE A 34 8.844 -4.419 1.755 1.00 4.04 C ATOM 434 CG2 ILE A 34 8.579 -4.096 -0.742 1.00 45.41 C ATOM 435 CD1 ILE A 34 9.939 -3.376 1.857 1.00 71.10 C ATOM 0 H ILE A 34 6.153 -5.954 1.712 1.00 5.34 H new ATOM 0 HA ILE A 34 7.670 -6.611 -0.671 1.00 2.22 H new ATOM 0 HB ILE A 34 9.750 -5.577 0.212 1.00 42.01 H new ATOM 0 HG12 ILE A 34 7.883 -3.947 1.960 1.00 4.04 H new ATOM 0 HG13 ILE A 34 8.999 -5.174 2.525 1.00 4.04 H new ATOM 0 HG21 ILE A 34 9.342 -3.321 -0.678 1.00 45.41 H new ATOM 0 HG22 ILE A 34 8.657 -4.604 -1.703 1.00 45.41 H new ATOM 0 HG23 ILE A 34 7.592 -3.642 -0.651 1.00 45.41 H new ATOM 0 HD11 ILE A 34 9.925 -2.930 2.852 1.00 71.10 H new ATOM 0 HD12 ILE A 34 10.907 -3.846 1.683 1.00 71.10 H new ATOM 0 HD13 ILE A 34 9.773 -2.600 1.109 1.00 71.10 H new ATOM 442 N SER A 35 9.284 -7.920 1.105 1.00 33.33 N ATOM 443 CA SER A 35 9.833 -8.859 2.032 1.00 33.22 C ATOM 444 C SER A 35 10.740 -8.099 3.012 1.00 74.44 C ATOM 445 O SER A 35 11.198 -6.990 2.711 1.00 75.54 O ATOM 446 CB SER A 35 10.636 -9.914 1.284 1.00 10.20 C ATOM 447 OG SER A 35 9.824 -10.576 0.341 1.00 63.41 O ATOM 0 H SER A 35 9.849 -7.764 0.270 1.00 33.33 H new ATOM 0 HA SER A 35 9.034 -9.359 2.579 1.00 33.22 H new ATOM 0 HB2 SER A 35 11.482 -9.446 0.780 1.00 10.20 H new ATOM 0 HB3 SER A 35 11.046 -10.636 1.990 1.00 10.20 H new ATOM 0 HG SER A 35 10.373 -10.866 -0.417 1.00 63.41 H new ATOM 453 N GLU A 36 10.991 -8.697 4.142 1.00 72.44 N ATOM 454 CA GLU A 36 11.785 -8.124 5.208 1.00 53.01 C ATOM 455 C GLU A 36 13.231 -7.857 4.765 1.00 32.24 C ATOM 456 O GLU A 36 13.816 -6.837 5.145 1.00 41.40 O ATOM 457 CB GLU A 36 11.627 -9.025 6.488 1.00 63.52 C ATOM 458 CG GLU A 36 12.418 -8.674 7.748 1.00 43.20 C ATOM 459 CD GLU A 36 13.884 -9.058 7.746 1.00 44.51 C ATOM 460 OE1 GLU A 36 14.217 -10.179 8.198 1.00 21.33 O ATOM 461 OE2 GLU A 36 14.724 -8.247 7.361 1.00 3.10 O ATOM 0 H GLU A 36 10.639 -9.629 4.360 1.00 72.44 H new ATOM 0 HA GLU A 36 11.420 -7.132 5.472 1.00 53.01 H new ATOM 0 HB2 GLU A 36 10.570 -9.033 6.755 1.00 63.52 H new ATOM 0 HB3 GLU A 36 11.893 -10.044 6.207 1.00 63.52 H new ATOM 0 HG2 GLU A 36 12.346 -7.598 7.909 1.00 43.20 H new ATOM 0 HG3 GLU A 36 11.938 -9.157 8.599 1.00 43.20 H new ATOM 468 N ASP A 37 13.776 -8.707 3.876 1.00 61.12 N ATOM 469 CA ASP A 37 15.175 -8.529 3.417 1.00 62.50 C ATOM 470 C ASP A 37 15.259 -7.358 2.441 1.00 64.13 C ATOM 471 O ASP A 37 16.348 -6.966 1.998 1.00 41.34 O ATOM 472 CB ASP A 37 15.750 -9.810 2.761 1.00 11.53 C ATOM 473 CG ASP A 37 15.334 -10.038 1.305 1.00 42.43 C ATOM 474 OD1 ASP A 37 14.134 -10.033 0.980 1.00 43.15 O ATOM 475 OD2 ASP A 37 16.235 -10.217 0.460 1.00 13.14 O ATOM 0 H ASP A 37 13.289 -9.505 3.467 1.00 61.12 H new ATOM 0 HA ASP A 37 15.781 -8.319 4.299 1.00 62.50 H new ATOM 0 HB2 ASP A 37 16.838 -9.767 2.809 1.00 11.53 H new ATOM 0 HB3 ASP A 37 15.439 -10.672 3.351 1.00 11.53 H new ATOM 480 N CYS A 38 14.086 -6.811 2.131 1.00 74.12 N ATOM 481 CA CYS A 38 13.906 -5.669 1.275 1.00 13.11 C ATOM 482 C CYS A 38 14.377 -5.955 -0.140 1.00 20.10 C ATOM 483 O CYS A 38 15.455 -5.530 -0.564 1.00 31.24 O ATOM 484 CB CYS A 38 14.561 -4.409 1.869 1.00 75.01 C ATOM 485 SG CYS A 38 14.003 -4.033 3.561 1.00 55.42 S ATOM 0 H CYS A 38 13.205 -7.177 2.491 1.00 74.12 H new ATOM 0 HA CYS A 38 12.837 -5.466 1.214 1.00 13.11 H new ATOM 0 HB2 CYS A 38 15.643 -4.538 1.872 1.00 75.01 H new ATOM 0 HB3 CYS A 38 14.343 -3.557 1.225 1.00 75.01 H new ATOM 0 HG CYS A 38 13.909 -5.136 4.242 1.00 55.42 H new ATOM 491 N ARG A 39 13.602 -6.749 -0.837 1.00 71.23 N ATOM 492 CA ARG A 39 13.896 -7.093 -2.190 1.00 3.24 C ATOM 493 C ARG A 39 12.898 -6.457 -3.125 1.00 3.12 C ATOM 494 O ARG A 39 11.746 -6.873 -3.223 1.00 63.31 O ATOM 495 CB ARG A 39 13.954 -8.615 -2.383 1.00 64.00 C ATOM 496 CG ARG A 39 12.687 -9.377 -2.004 1.00 61.34 C ATOM 497 CD ARG A 39 12.875 -10.855 -2.226 1.00 71.54 C ATOM 498 NE ARG A 39 13.994 -11.349 -1.442 1.00 40.14 N ATOM 499 CZ ARG A 39 14.730 -12.419 -1.729 1.00 22.24 C ATOM 500 NH1 ARG A 39 14.400 -13.230 -2.739 1.00 14.21 N ATOM 501 NH2 ARG A 39 15.801 -12.672 -1.004 1.00 30.01 N ATOM 0 H ARG A 39 12.748 -7.172 -0.473 1.00 71.23 H new ATOM 0 HA ARG A 39 14.884 -6.702 -2.431 1.00 3.24 H new ATOM 0 HB2 ARG A 39 14.182 -8.822 -3.429 1.00 64.00 H new ATOM 0 HB3 ARG A 39 14.782 -9.007 -1.793 1.00 64.00 H new ATOM 0 HG2 ARG A 39 12.441 -9.188 -0.959 1.00 61.34 H new ATOM 0 HG3 ARG A 39 11.847 -9.018 -2.599 1.00 61.34 H new ATOM 0 HD2 ARG A 39 11.966 -11.389 -1.949 1.00 71.54 H new ATOM 0 HD3 ARG A 39 13.050 -11.050 -3.284 1.00 71.54 H new ATOM 0 HE ARG A 39 14.236 -10.830 -0.598 1.00 40.14 H new ATOM 0 HH11 ARG A 39 13.573 -13.032 -3.303 1.00 14.21 H new ATOM 0 HH12 ARG A 39 14.975 -14.047 -2.946 1.00 14.21 H new ATOM 0 HH21 ARG A 39 16.055 -12.051 -0.236 1.00 30.01 H new ATOM 0 HH22 ARG A 39 16.376 -13.489 -1.211 1.00 30.01 H new ATOM 513 N MET A 40 13.308 -5.407 -3.748 1.00 24.10 N ATOM 514 CA MET A 40 12.472 -4.751 -4.702 1.00 54.01 C ATOM 515 C MET A 40 12.789 -5.220 -6.098 1.00 14.41 C ATOM 516 O MET A 40 12.075 -4.893 -7.016 1.00 21.22 O ATOM 517 CB MET A 40 12.629 -3.244 -4.683 1.00 3.54 C ATOM 518 CG MET A 40 12.300 -2.505 -3.405 1.00 23.04 C ATOM 519 SD MET A 40 13.471 -2.776 -2.083 1.00 43.15 S ATOM 520 CE MET A 40 12.941 -1.482 -0.988 1.00 74.11 C ATOM 0 H MET A 40 14.224 -4.979 -3.615 1.00 24.10 H new ATOM 0 HA MET A 40 11.450 -5.005 -4.422 1.00 54.01 H new ATOM 0 HB2 MET A 40 13.662 -3.014 -4.943 1.00 3.54 H new ATOM 0 HB3 MET A 40 12.002 -2.834 -5.475 1.00 3.54 H new ATOM 0 HG2 MET A 40 12.250 -1.437 -3.618 1.00 23.04 H new ATOM 0 HG3 MET A 40 11.310 -2.809 -3.067 1.00 23.04 H new ATOM 0 HE1 MET A 40 13.747 -1.237 -0.297 1.00 74.11 H new ATOM 0 HE2 MET A 40 12.680 -0.597 -1.569 1.00 74.11 H new ATOM 0 HE3 MET A 40 12.069 -1.816 -0.425 1.00 74.11 H new ATOM 530 N GLY A 41 13.861 -6.009 -6.233 1.00 72.51 N ATOM 531 CA GLY A 41 14.429 -6.417 -7.540 1.00 42.13 C ATOM 532 C GLY A 41 13.473 -7.097 -8.523 1.00 33.55 C ATOM 533 O GLY A 41 13.863 -7.396 -9.661 1.00 25.31 O ATOM 0 H GLY A 41 14.370 -6.390 -5.435 1.00 72.51 H new ATOM 0 HA2 GLY A 41 14.841 -5.531 -8.023 1.00 42.13 H new ATOM 0 HA3 GLY A 41 15.262 -7.094 -7.352 1.00 42.13 H new ATOM 537 N ALA A 42 12.268 -7.332 -8.113 1.00 3.44 N ATOM 538 CA ALA A 42 11.269 -7.924 -8.941 1.00 73.51 C ATOM 539 C ALA A 42 9.921 -7.506 -8.425 1.00 34.12 C ATOM 540 O ALA A 42 9.623 -7.657 -7.239 1.00 53.34 O ATOM 541 CB ALA A 42 11.394 -9.442 -8.969 1.00 65.32 C ATOM 0 H ALA A 42 11.944 -7.112 -7.171 1.00 3.44 H new ATOM 0 HA ALA A 42 11.399 -7.580 -9.967 1.00 73.51 H new ATOM 0 HB1 ALA A 42 10.617 -9.859 -9.609 1.00 65.32 H new ATOM 0 HB2 ALA A 42 12.373 -9.719 -9.359 1.00 65.32 H new ATOM 0 HB3 ALA A 42 11.281 -9.835 -7.959 1.00 65.32 H new ATOM 547 N GLY A 43 9.133 -6.953 -9.287 1.00 50.44 N ATOM 548 CA GLY A 43 7.839 -6.505 -8.908 1.00 73.12 C ATOM 549 C GLY A 43 7.764 -5.007 -8.943 1.00 43.23 C ATOM 550 O GLY A 43 8.758 -4.347 -9.205 1.00 65.23 O ATOM 0 H GLY A 43 9.368 -6.801 -10.268 1.00 50.44 H new ATOM 0 HA2 GLY A 43 7.092 -6.927 -9.580 1.00 73.12 H new ATOM 0 HA3 GLY A 43 7.604 -6.862 -7.905 1.00 73.12 H new ATOM 554 N ILE A 44 6.603 -4.474 -8.656 1.00 13.51 N ATOM 555 CA ILE A 44 6.361 -3.029 -8.668 1.00 64.24 C ATOM 556 C ILE A 44 7.238 -2.291 -7.616 1.00 34.02 C ATOM 557 O ILE A 44 7.468 -1.080 -7.701 1.00 65.02 O ATOM 558 CB ILE A 44 4.845 -2.733 -8.422 1.00 35.33 C ATOM 559 CG1 ILE A 44 4.545 -1.229 -8.514 1.00 52.41 C ATOM 560 CG2 ILE A 44 4.378 -3.311 -7.083 1.00 11.13 C ATOM 561 CD1 ILE A 44 3.099 -0.869 -8.273 1.00 62.33 C ATOM 0 H ILE A 44 5.783 -5.025 -8.403 1.00 13.51 H new ATOM 0 HA ILE A 44 6.642 -2.652 -9.651 1.00 64.24 H new ATOM 0 HB ILE A 44 4.281 -3.229 -9.212 1.00 35.33 H new ATOM 0 HG12 ILE A 44 5.164 -0.702 -7.789 1.00 52.41 H new ATOM 0 HG13 ILE A 44 4.837 -0.872 -9.502 1.00 52.41 H new ATOM 0 HG21 ILE A 44 3.320 -3.089 -6.940 1.00 11.13 H new ATOM 0 HG22 ILE A 44 4.526 -4.391 -7.081 1.00 11.13 H new ATOM 0 HG23 ILE A 44 4.955 -2.865 -6.273 1.00 11.13 H new ATOM 0 HD11 ILE A 44 2.974 0.211 -8.356 1.00 62.33 H new ATOM 0 HD12 ILE A 44 2.472 -1.365 -9.014 1.00 62.33 H new ATOM 0 HD13 ILE A 44 2.805 -1.192 -7.274 1.00 62.33 H new ATOM 568 N ALA A 45 7.746 -3.044 -6.653 1.00 33.31 N ATOM 569 CA ALA A 45 8.540 -2.504 -5.564 1.00 62.50 C ATOM 570 C ALA A 45 9.825 -1.806 -6.052 1.00 51.34 C ATOM 571 O ALA A 45 10.267 -0.823 -5.441 1.00 1.44 O ATOM 572 CB ALA A 45 8.859 -3.595 -4.550 1.00 4.51 C ATOM 0 H ALA A 45 7.617 -4.055 -6.606 1.00 33.31 H new ATOM 0 HA ALA A 45 7.939 -1.735 -5.079 1.00 62.50 H new ATOM 0 HB1 ALA A 45 9.455 -3.175 -3.739 1.00 4.51 H new ATOM 0 HB2 ALA A 45 7.931 -3.999 -4.146 1.00 4.51 H new ATOM 0 HB3 ALA A 45 9.420 -4.392 -5.038 1.00 4.51 H new ATOM 578 N VAL A 46 10.410 -2.296 -7.154 1.00 52.13 N ATOM 579 CA VAL A 46 11.649 -1.707 -7.693 1.00 14.54 C ATOM 580 C VAL A 46 11.415 -0.290 -8.199 1.00 14.03 C ATOM 581 O VAL A 46 12.260 0.595 -8.024 1.00 42.41 O ATOM 582 CB VAL A 46 12.342 -2.623 -8.770 1.00 42.42 C ATOM 583 CG1 VAL A 46 11.430 -2.964 -9.939 1.00 21.31 C ATOM 584 CG2 VAL A 46 13.650 -2.037 -9.252 1.00 52.44 C ATOM 0 H VAL A 46 10.052 -3.089 -7.686 1.00 52.13 H new ATOM 0 HA VAL A 46 12.355 -1.642 -6.865 1.00 14.54 H new ATOM 0 HB VAL A 46 12.562 -3.562 -8.262 1.00 42.42 H new ATOM 0 HG11 VAL A 46 11.966 -3.597 -10.646 1.00 21.31 H new ATOM 0 HG12 VAL A 46 10.551 -3.493 -9.572 1.00 21.31 H new ATOM 0 HG13 VAL A 46 11.119 -2.046 -10.438 1.00 21.31 H new ATOM 0 HG21 VAL A 46 14.095 -2.701 -9.994 1.00 52.44 H new ATOM 0 HG22 VAL A 46 13.468 -1.061 -9.701 1.00 52.44 H new ATOM 0 HG23 VAL A 46 14.332 -1.927 -8.409 1.00 52.44 H new ATOM 590 N LEU A 47 10.250 -0.075 -8.749 1.00 34.22 N ATOM 591 CA LEU A 47 9.850 1.219 -9.249 1.00 61.25 C ATOM 592 C LEU A 47 9.772 2.230 -8.097 1.00 32.12 C ATOM 593 O LEU A 47 10.177 3.392 -8.237 1.00 20.24 O ATOM 594 CB LEU A 47 8.506 1.081 -9.949 1.00 4.43 C ATOM 595 CG LEU A 47 8.488 0.199 -11.197 1.00 73.44 C ATOM 596 CD1 LEU A 47 7.064 -0.069 -11.637 1.00 73.42 C ATOM 597 CD2 LEU A 47 9.223 0.892 -12.315 1.00 34.32 C ATOM 0 H LEU A 47 9.542 -0.800 -8.865 1.00 34.22 H new ATOM 0 HA LEU A 47 10.587 1.587 -9.963 1.00 61.25 H new ATOM 0 HB2 LEU A 47 7.786 0.681 -9.235 1.00 4.43 H new ATOM 0 HB3 LEU A 47 8.159 2.076 -10.227 1.00 4.43 H new ATOM 0 HG LEU A 47 8.973 -0.748 -10.959 1.00 73.44 H new ATOM 0 HD11 LEU A 47 7.070 -0.698 -12.527 1.00 73.42 H new ATOM 0 HD12 LEU A 47 6.526 -0.577 -10.837 1.00 73.42 H new ATOM 0 HD13 LEU A 47 6.570 0.875 -11.864 1.00 73.42 H new ATOM 0 HD21 LEU A 47 9.210 0.262 -13.205 1.00 34.32 H new ATOM 0 HD22 LEU A 47 8.737 1.842 -12.536 1.00 34.32 H new ATOM 0 HD23 LEU A 47 10.255 1.074 -12.014 1.00 34.32 H new ATOM 605 N PHE A 48 9.284 1.770 -6.947 1.00 50.34 N ATOM 606 CA PHE A 48 9.200 2.609 -5.760 1.00 63.51 C ATOM 607 C PHE A 48 10.567 3.027 -5.243 1.00 22.51 C ATOM 608 O PHE A 48 10.776 4.205 -4.927 1.00 4.30 O ATOM 609 CB PHE A 48 8.396 1.961 -4.626 1.00 31.22 C ATOM 610 CG PHE A 48 6.904 1.948 -4.807 1.00 3.40 C ATOM 611 CD1 PHE A 48 6.138 3.040 -4.411 1.00 64.30 C ATOM 612 CD2 PHE A 48 6.255 0.846 -5.330 1.00 11.22 C ATOM 613 CE1 PHE A 48 4.788 3.028 -4.530 1.00 71.25 C ATOM 614 CE2 PHE A 48 4.881 0.843 -5.457 1.00 55.23 C ATOM 615 CZ PHE A 48 4.153 1.945 -5.049 1.00 61.04 C ATOM 0 H PHE A 48 8.941 0.819 -6.815 1.00 50.34 H new ATOM 0 HA PHE A 48 8.666 3.502 -6.086 1.00 63.51 H new ATOM 0 HB2 PHE A 48 8.737 0.933 -4.505 1.00 31.22 H new ATOM 0 HB3 PHE A 48 8.626 2.484 -3.698 1.00 31.22 H new ATOM 0 HD1 PHE A 48 6.627 3.912 -4.002 1.00 64.30 H new ATOM 0 HD2 PHE A 48 6.826 -0.017 -5.641 1.00 11.22 H new ATOM 0 HE1 PHE A 48 4.213 3.885 -4.210 1.00 71.25 H new ATOM 0 HE2 PHE A 48 4.377 -0.016 -5.873 1.00 55.23 H new ATOM 0 HZ PHE A 48 3.077 1.945 -5.143 1.00 61.04 H new ATOM 625 N LYS A 49 11.517 2.093 -5.159 1.00 1.15 N ATOM 626 CA LYS A 49 12.807 2.475 -4.622 1.00 3.14 C ATOM 627 C LYS A 49 13.573 3.397 -5.561 1.00 2.54 C ATOM 628 O LYS A 49 14.312 4.246 -5.103 1.00 72.13 O ATOM 629 CB LYS A 49 13.683 1.311 -4.134 1.00 23.24 C ATOM 630 CG LYS A 49 14.108 0.314 -5.168 1.00 33.22 C ATOM 631 CD LYS A 49 15.186 -0.590 -4.604 1.00 45.33 C ATOM 632 CE LYS A 49 15.717 -1.554 -5.644 1.00 41.25 C ATOM 633 NZ LYS A 49 16.777 -2.421 -5.099 1.00 20.01 N ATOM 0 H LYS A 49 11.420 1.118 -5.442 1.00 1.15 H new ATOM 0 HA LYS A 49 12.561 3.035 -3.720 1.00 3.14 H new ATOM 0 HB2 LYS A 49 14.579 1.728 -3.674 1.00 23.24 H new ATOM 0 HB3 LYS A 49 13.140 0.781 -3.352 1.00 23.24 H new ATOM 0 HG2 LYS A 49 13.252 -0.281 -5.485 1.00 33.22 H new ATOM 0 HG3 LYS A 49 14.481 0.831 -6.052 1.00 33.22 H new ATOM 0 HD2 LYS A 49 16.006 0.018 -4.221 1.00 45.33 H new ATOM 0 HD3 LYS A 49 14.784 -1.151 -3.761 1.00 45.33 H new ATOM 0 HE2 LYS A 49 14.900 -2.171 -6.018 1.00 41.25 H new ATOM 0 HE3 LYS A 49 16.107 -0.993 -6.493 1.00 41.25 H new ATOM 0 HZ1 LYS A 49 17.114 -3.066 -5.842 1.00 20.01 H new ATOM 0 HZ2 LYS A 49 17.568 -1.834 -4.765 1.00 20.01 H new ATOM 0 HZ3 LYS A 49 16.398 -2.975 -4.305 1.00 20.01 H new ATOM 647 N LYS A 50 13.396 3.235 -6.864 1.00 65.11 N ATOM 648 CA LYS A 50 14.030 4.135 -7.814 1.00 40.04 C ATOM 649 C LYS A 50 13.444 5.547 -7.776 1.00 11.51 C ATOM 650 O LYS A 50 14.192 6.526 -7.768 1.00 44.23 O ATOM 651 CB LYS A 50 14.047 3.585 -9.246 1.00 54.20 C ATOM 652 CG LYS A 50 15.193 2.613 -9.588 1.00 33.04 C ATOM 653 CD LYS A 50 15.208 1.361 -8.735 1.00 4.14 C ATOM 654 CE LYS A 50 16.337 0.421 -9.148 1.00 20.54 C ATOM 655 NZ LYS A 50 17.674 1.027 -8.970 1.00 44.22 N ATOM 0 H LYS A 50 12.827 2.499 -7.283 1.00 65.11 H new ATOM 0 HA LYS A 50 15.067 4.204 -7.486 1.00 40.04 H new ATOM 0 HB2 LYS A 50 13.100 3.076 -9.429 1.00 54.20 H new ATOM 0 HB3 LYS A 50 14.095 4.427 -9.936 1.00 54.20 H new ATOM 0 HG2 LYS A 50 15.113 2.326 -10.636 1.00 33.04 H new ATOM 0 HG3 LYS A 50 16.144 3.132 -9.471 1.00 33.04 H new ATOM 0 HD2 LYS A 50 15.325 1.634 -7.686 1.00 4.14 H new ATOM 0 HD3 LYS A 50 14.252 0.846 -8.825 1.00 4.14 H new ATOM 0 HE2 LYS A 50 16.276 -0.495 -8.560 1.00 20.54 H new ATOM 0 HE3 LYS A 50 16.206 0.139 -10.193 1.00 20.54 H new ATOM 0 HZ1 LYS A 50 18.405 0.296 -9.084 1.00 44.22 H new ATOM 0 HZ2 LYS A 50 17.815 1.772 -9.682 1.00 44.22 H new ATOM 0 HZ3 LYS A 50 17.744 1.440 -8.018 1.00 44.22 H new ATOM 669 N LYS A 51 12.118 5.663 -7.738 1.00 22.34 N ATOM 670 CA LYS A 51 11.484 6.993 -7.755 1.00 71.34 C ATOM 671 C LYS A 51 11.571 7.709 -6.418 1.00 40.42 C ATOM 672 O LYS A 51 11.675 8.934 -6.372 1.00 75.22 O ATOM 673 CB LYS A 51 10.013 6.939 -8.209 1.00 52.12 C ATOM 674 CG LYS A 51 9.807 6.422 -9.620 1.00 45.21 C ATOM 675 CD LYS A 51 8.332 6.460 -10.078 1.00 65.23 C ATOM 676 CE LYS A 51 7.794 7.879 -10.437 1.00 52.43 C ATOM 677 NZ LYS A 51 7.689 8.832 -9.298 1.00 53.44 N ATOM 0 H LYS A 51 11.469 4.877 -7.696 1.00 22.34 H new ATOM 0 HA LYS A 51 12.056 7.564 -8.486 1.00 71.34 H new ATOM 0 HB2 LYS A 51 9.456 6.305 -7.519 1.00 52.12 H new ATOM 0 HB3 LYS A 51 9.587 7.940 -8.137 1.00 52.12 H new ATOM 0 HG2 LYS A 51 10.409 7.016 -10.308 1.00 45.21 H new ATOM 0 HG3 LYS A 51 10.172 5.397 -9.680 1.00 45.21 H new ATOM 0 HD2 LYS A 51 8.220 5.814 -10.948 1.00 65.23 H new ATOM 0 HD3 LYS A 51 7.710 6.041 -9.287 1.00 65.23 H new ATOM 0 HE2 LYS A 51 8.446 8.315 -11.194 1.00 52.43 H new ATOM 0 HE3 LYS A 51 6.808 7.771 -10.890 1.00 52.43 H new ATOM 0 HZ1 LYS A 51 6.849 9.433 -9.424 1.00 53.44 H new ATOM 0 HZ2 LYS A 51 7.604 8.301 -8.408 1.00 53.44 H new ATOM 0 HZ3 LYS A 51 8.540 9.429 -9.265 1.00 53.44 H new ATOM 691 N PHE A 52 11.524 6.971 -5.337 1.00 42.44 N ATOM 692 CA PHE A 52 11.506 7.596 -4.026 1.00 2.14 C ATOM 693 C PHE A 52 12.831 7.488 -3.289 1.00 61.44 C ATOM 694 O PHE A 52 13.111 8.285 -2.412 1.00 12.51 O ATOM 695 CB PHE A 52 10.362 7.033 -3.174 1.00 75.02 C ATOM 696 CG PHE A 52 9.001 7.288 -3.764 1.00 70.35 C ATOM 697 CD1 PHE A 52 8.343 8.474 -3.512 1.00 40.51 C ATOM 698 CD2 PHE A 52 8.390 6.350 -4.580 1.00 14.10 C ATOM 699 CE1 PHE A 52 7.102 8.723 -4.054 1.00 64.05 C ATOM 700 CE2 PHE A 52 7.150 6.595 -5.129 1.00 25.53 C ATOM 701 CZ PHE A 52 6.505 7.785 -4.865 1.00 52.45 C ATOM 0 H PHE A 52 11.498 5.951 -5.331 1.00 42.44 H new ATOM 0 HA PHE A 52 11.337 8.659 -4.195 1.00 2.14 H new ATOM 0 HB2 PHE A 52 10.503 5.959 -3.053 1.00 75.02 H new ATOM 0 HB3 PHE A 52 10.408 7.475 -2.179 1.00 75.02 H new ATOM 0 HD1 PHE A 52 8.808 9.217 -2.881 1.00 40.51 H new ATOM 0 HD2 PHE A 52 8.891 5.416 -4.788 1.00 14.10 H new ATOM 0 HE1 PHE A 52 6.597 9.654 -3.843 1.00 64.05 H new ATOM 0 HE2 PHE A 52 6.684 5.857 -5.765 1.00 25.53 H new ATOM 0 HZ PHE A 52 5.533 7.980 -5.294 1.00 52.45 H new ATOM 711 N GLY A 53 13.653 6.521 -3.651 1.00 62.24 N ATOM 712 CA GLY A 53 14.912 6.311 -2.929 1.00 43.21 C ATOM 713 C GLY A 53 14.650 5.750 -1.547 1.00 73.22 C ATOM 714 O GLY A 53 15.469 5.866 -0.639 1.00 72.14 O ATOM 0 H GLY A 53 13.485 5.876 -4.423 1.00 62.24 H new ATOM 0 HA2 GLY A 53 15.549 5.627 -3.490 1.00 43.21 H new ATOM 0 HA3 GLY A 53 15.452 7.254 -2.848 1.00 43.21 H new ATOM 718 N GLY A 54 13.496 5.129 -1.417 1.00 1.05 N ATOM 719 CA GLY A 54 13.014 4.600 -0.162 1.00 31.34 C ATOM 720 C GLY A 54 13.852 3.484 0.415 1.00 73.23 C ATOM 721 O GLY A 54 13.851 3.277 1.627 1.00 53.21 O ATOM 0 H GLY A 54 12.856 4.976 -2.197 1.00 1.05 H new ATOM 0 HA2 GLY A 54 12.964 5.412 0.564 1.00 31.34 H new ATOM 0 HA3 GLY A 54 11.996 4.236 -0.303 1.00 31.34 H new ATOM 725 N VAL A 55 14.558 2.769 -0.450 1.00 72.31 N ATOM 726 CA VAL A 55 15.329 1.586 -0.059 1.00 44.14 C ATOM 727 C VAL A 55 16.255 1.826 1.154 1.00 54.02 C ATOM 728 O VAL A 55 16.198 1.080 2.122 1.00 35.12 O ATOM 729 CB VAL A 55 16.115 0.977 -1.272 1.00 4.31 C ATOM 730 CG1 VAL A 55 17.058 1.989 -1.919 1.00 14.31 C ATOM 731 CG2 VAL A 55 16.869 -0.283 -0.868 1.00 13.45 C ATOM 0 H VAL A 55 14.616 2.989 -1.444 1.00 72.31 H new ATOM 0 HA VAL A 55 14.594 0.851 0.267 1.00 44.14 H new ATOM 0 HB VAL A 55 15.371 0.705 -2.020 1.00 4.31 H new ATOM 0 HG11 VAL A 55 17.579 1.519 -2.753 1.00 14.31 H new ATOM 0 HG12 VAL A 55 16.483 2.841 -2.283 1.00 14.31 H new ATOM 0 HG13 VAL A 55 17.786 2.330 -1.183 1.00 14.31 H new ATOM 0 HG21 VAL A 55 17.403 -0.680 -1.731 1.00 13.45 H new ATOM 0 HG22 VAL A 55 17.582 -0.043 -0.079 1.00 13.45 H new ATOM 0 HG23 VAL A 55 16.162 -1.029 -0.504 1.00 13.45 H new ATOM 737 N GLN A 56 17.046 2.885 1.120 1.00 3.01 N ATOM 738 CA GLN A 56 17.973 3.175 2.205 1.00 53.04 C ATOM 739 C GLN A 56 17.254 3.489 3.515 1.00 43.22 C ATOM 740 O GLN A 56 17.691 3.089 4.607 1.00 35.31 O ATOM 741 CB GLN A 56 18.882 4.303 1.819 1.00 74.30 C ATOM 742 CG GLN A 56 19.825 4.682 2.914 1.00 33.22 C ATOM 743 CD GLN A 56 20.944 5.490 2.407 1.00 42.31 C ATOM 744 OE1 GLN A 56 20.896 6.721 2.361 1.00 12.25 O ATOM 745 NE2 GLN A 56 21.953 4.807 2.000 1.00 12.22 N ATOM 0 H GLN A 56 17.066 3.559 0.354 1.00 3.01 H new ATOM 0 HA GLN A 56 18.566 2.277 2.376 1.00 53.04 H new ATOM 0 HB2 GLN A 56 19.453 4.018 0.935 1.00 74.30 H new ATOM 0 HB3 GLN A 56 18.282 5.171 1.545 1.00 74.30 H new ATOM 0 HG2 GLN A 56 19.288 5.242 3.680 1.00 33.22 H new ATOM 0 HG3 GLN A 56 20.212 3.781 3.390 1.00 33.22 H new ATOM 0 HE21 GLN A 56 21.938 3.789 2.062 1.00 12.22 H new ATOM 0 HE22 GLN A 56 22.769 5.283 1.615 1.00 12.22 H new ATOM 753 N GLU A 57 16.158 4.173 3.402 1.00 21.12 N ATOM 754 CA GLU A 57 15.367 4.549 4.548 1.00 62.33 C ATOM 755 C GLU A 57 14.746 3.312 5.203 1.00 13.44 C ATOM 756 O GLU A 57 14.579 3.248 6.426 1.00 71.45 O ATOM 757 CB GLU A 57 14.319 5.578 4.165 1.00 40.41 C ATOM 758 CG GLU A 57 14.914 6.831 3.552 1.00 40.14 C ATOM 759 CD GLU A 57 13.881 7.877 3.202 1.00 31.42 C ATOM 760 OE1 GLU A 57 13.512 8.675 4.093 1.00 53.54 O ATOM 761 OE2 GLU A 57 13.466 7.954 2.037 1.00 32.34 O ATOM 0 H GLU A 57 15.779 4.491 2.510 1.00 21.12 H new ATOM 0 HA GLU A 57 16.020 5.015 5.286 1.00 62.33 H new ATOM 0 HB2 GLU A 57 13.620 5.131 3.458 1.00 40.41 H new ATOM 0 HB3 GLU A 57 13.745 5.851 5.051 1.00 40.41 H new ATOM 0 HG2 GLU A 57 15.634 7.261 4.249 1.00 40.14 H new ATOM 0 HG3 GLU A 57 15.465 6.560 2.652 1.00 40.14 H new ATOM 768 N LEU A 58 14.416 2.342 4.397 1.00 25.15 N ATOM 769 CA LEU A 58 13.888 1.099 4.907 1.00 74.11 C ATOM 770 C LEU A 58 15.002 0.303 5.570 1.00 70.25 C ATOM 771 O LEU A 58 14.789 -0.347 6.603 1.00 75.12 O ATOM 772 CB LEU A 58 13.253 0.295 3.787 1.00 35.24 C ATOM 773 CG LEU A 58 12.125 0.995 3.039 1.00 63.34 C ATOM 774 CD1 LEU A 58 11.581 0.104 1.958 1.00 13.24 C ATOM 775 CD2 LEU A 58 11.023 1.419 3.992 1.00 3.51 C ATOM 0 H LEU A 58 14.502 2.384 3.382 1.00 25.15 H new ATOM 0 HA LEU A 58 13.119 1.316 5.648 1.00 74.11 H new ATOM 0 HB2 LEU A 58 14.029 0.026 3.071 1.00 35.24 H new ATOM 0 HB3 LEU A 58 12.867 -0.635 4.204 1.00 35.24 H new ATOM 0 HG LEU A 58 12.530 1.894 2.574 1.00 63.34 H new ATOM 0 HD11 LEU A 58 10.776 0.619 1.433 1.00 13.24 H new ATOM 0 HD12 LEU A 58 12.376 -0.140 1.253 1.00 13.24 H new ATOM 0 HD13 LEU A 58 11.196 -0.814 2.402 1.00 13.24 H new ATOM 0 HD21 LEU A 58 10.230 1.916 3.433 1.00 3.51 H new ATOM 0 HD22 LEU A 58 10.617 0.540 4.493 1.00 3.51 H new ATOM 0 HD23 LEU A 58 11.429 2.106 4.735 1.00 3.51 H new ATOM 783 N LEU A 59 16.190 0.389 4.988 1.00 71.22 N ATOM 784 CA LEU A 59 17.364 -0.294 5.503 1.00 54.03 C ATOM 785 C LEU A 59 17.756 0.213 6.880 1.00 11.23 C ATOM 786 O LEU A 59 18.299 -0.537 7.680 1.00 4.24 O ATOM 787 CB LEU A 59 18.559 -0.166 4.539 1.00 53.44 C ATOM 788 CG LEU A 59 18.381 -0.775 3.147 1.00 22.32 C ATOM 789 CD1 LEU A 59 19.634 -0.575 2.319 1.00 13.40 C ATOM 790 CD2 LEU A 59 18.025 -2.252 3.236 1.00 50.10 C ATOM 0 H LEU A 59 16.365 0.935 4.145 1.00 71.22 H new ATOM 0 HA LEU A 59 17.096 -1.347 5.590 1.00 54.03 H new ATOM 0 HB2 LEU A 59 18.791 0.893 4.421 1.00 53.44 H new ATOM 0 HB3 LEU A 59 19.426 -0.632 5.007 1.00 53.44 H new ATOM 0 HG LEU A 59 17.554 -0.262 2.655 1.00 22.32 H new ATOM 0 HD11 LEU A 59 19.491 -1.014 1.331 1.00 13.40 H new ATOM 0 HD12 LEU A 59 19.836 0.491 2.217 1.00 13.40 H new ATOM 0 HD13 LEU A 59 20.477 -1.058 2.812 1.00 13.40 H new ATOM 0 HD21 LEU A 59 17.905 -2.658 2.232 1.00 50.10 H new ATOM 0 HD22 LEU A 59 18.822 -2.788 3.751 1.00 50.10 H new ATOM 0 HD23 LEU A 59 17.093 -2.369 3.789 1.00 50.10 H new ATOM 798 N ASN A 60 17.509 1.482 7.157 1.00 43.53 N ATOM 799 CA ASN A 60 17.862 2.008 8.474 1.00 11.41 C ATOM 800 C ASN A 60 16.832 1.650 9.554 1.00 5.33 C ATOM 801 O ASN A 60 17.198 1.470 10.722 1.00 24.12 O ATOM 802 CB ASN A 60 18.183 3.526 8.500 1.00 71.20 C ATOM 803 CG ASN A 60 17.009 4.441 8.277 1.00 33.43 C ATOM 804 OD1 ASN A 60 16.899 4.946 7.098 1.00 34.41 O flip ATOM 805 ND2 ASN A 60 16.255 4.757 9.199 1.00 31.02 N flip ATOM 0 H ASN A 60 17.081 2.151 6.517 1.00 43.53 H new ATOM 0 HA ASN A 60 18.796 1.499 8.713 1.00 11.41 H new ATOM 0 HB2 ASN A 60 18.632 3.768 9.463 1.00 71.20 H new ATOM 0 HB3 ASN A 60 18.933 3.734 7.737 1.00 71.20 H new ATOM 0 HD21 ASN A 60 16.372 4.336 10.121 1.00 31.02 H new ATOM 0 HD22 ASN A 60 15.514 5.440 9.041 1.00 31.02 H new ATOM 811 N GLN A 61 15.552 1.527 9.182 1.00 4.34 N ATOM 812 CA GLN A 61 14.534 1.228 10.177 1.00 32.13 C ATOM 813 C GLN A 61 14.527 -0.247 10.528 1.00 42.13 C ATOM 814 O GLN A 61 14.377 -0.605 11.693 1.00 44.43 O ATOM 815 CB GLN A 61 13.136 1.696 9.744 1.00 23.22 C ATOM 816 CG GLN A 61 13.031 3.197 9.503 1.00 35.23 C ATOM 817 CD GLN A 61 11.604 3.664 9.265 1.00 15.31 C ATOM 818 OE1 GLN A 61 10.894 4.018 10.206 1.00 33.31 O ATOM 819 NE2 GLN A 61 11.166 3.672 8.032 1.00 64.42 N ATOM 0 H GLN A 61 15.210 1.628 8.226 1.00 4.34 H new ATOM 0 HA GLN A 61 14.796 1.792 11.072 1.00 32.13 H new ATOM 0 HB2 GLN A 61 12.855 1.171 8.831 1.00 23.22 H new ATOM 0 HB3 GLN A 61 12.415 1.410 10.510 1.00 23.22 H new ATOM 0 HG2 GLN A 61 13.442 3.727 10.363 1.00 35.23 H new ATOM 0 HG3 GLN A 61 13.643 3.464 8.642 1.00 35.23 H new ATOM 0 HE21 GLN A 61 11.777 3.373 7.272 1.00 64.42 H new ATOM 0 HE22 GLN A 61 10.214 3.977 7.831 1.00 64.42 H new ATOM 827 N GLN A 62 14.710 -1.084 9.505 1.00 74.14 N ATOM 828 CA GLN A 62 14.726 -2.550 9.634 1.00 35.24 C ATOM 829 C GLN A 62 13.480 -3.077 10.323 1.00 2.42 C ATOM 830 O GLN A 62 13.463 -3.310 11.541 1.00 15.20 O ATOM 831 CB GLN A 62 15.989 -3.070 10.324 1.00 65.01 C ATOM 832 CG GLN A 62 17.265 -2.691 9.618 1.00 64.33 C ATOM 833 CD GLN A 62 18.498 -3.228 10.299 1.00 51.13 C ATOM 834 OE1 GLN A 62 18.474 -4.297 10.928 1.00 72.34 O ATOM 835 NE2 GLN A 62 19.576 -2.504 10.198 1.00 53.53 N ATOM 0 H GLN A 62 14.854 -0.762 8.548 1.00 74.14 H new ATOM 0 HA GLN A 62 14.734 -2.936 8.615 1.00 35.24 H new ATOM 0 HB2 GLN A 62 16.020 -2.685 11.343 1.00 65.01 H new ATOM 0 HB3 GLN A 62 15.932 -4.156 10.395 1.00 65.01 H new ATOM 0 HG2 GLN A 62 17.231 -3.063 8.594 1.00 64.33 H new ATOM 0 HG3 GLN A 62 17.333 -1.605 9.560 1.00 64.33 H new ATOM 0 HE21 GLN A 62 19.556 -1.630 9.672 1.00 53.53 H new ATOM 0 HE22 GLN A 62 20.440 -2.811 10.645 1.00 53.53 H new ATOM 843 N LYS A 63 12.438 -3.208 9.566 1.00 53.22 N ATOM 844 CA LYS A 63 11.193 -3.684 10.069 1.00 30.22 C ATOM 845 C LYS A 63 11.062 -5.178 9.926 1.00 31.40 C ATOM 846 O LYS A 63 11.690 -5.787 9.052 1.00 1.42 O ATOM 847 CB LYS A 63 10.035 -2.929 9.431 1.00 22.03 C ATOM 848 CG LYS A 63 9.937 -1.478 9.886 1.00 51.12 C ATOM 849 CD LYS A 63 9.780 -1.466 11.388 1.00 13.41 C ATOM 850 CE LYS A 63 9.389 -0.123 11.946 1.00 32.23 C ATOM 851 NZ LYS A 63 9.242 -0.199 13.419 1.00 14.01 N ATOM 0 H LYS A 63 12.429 -2.985 8.571 1.00 53.22 H new ATOM 0 HA LYS A 63 11.160 -3.484 11.140 1.00 30.22 H new ATOM 0 HB2 LYS A 63 10.146 -2.956 8.347 1.00 22.03 H new ATOM 0 HB3 LYS A 63 9.102 -3.441 9.668 1.00 22.03 H new ATOM 0 HG2 LYS A 63 10.830 -0.926 9.592 1.00 51.12 H new ATOM 0 HG3 LYS A 63 9.088 -0.987 9.411 1.00 51.12 H new ATOM 0 HD2 LYS A 63 9.026 -2.201 11.671 1.00 13.41 H new ATOM 0 HD3 LYS A 63 10.719 -1.780 11.845 1.00 13.41 H new ATOM 0 HE2 LYS A 63 10.144 0.619 11.687 1.00 32.23 H new ATOM 0 HE3 LYS A 63 8.452 0.206 11.497 1.00 32.23 H new ATOM 0 HZ1 LYS A 63 8.677 0.607 13.754 1.00 14.01 H new ATOM 0 HZ2 LYS A 63 8.764 -1.087 13.675 1.00 14.01 H new ATOM 0 HZ3 LYS A 63 10.182 -0.171 13.864 1.00 14.01 H new ATOM 865 N LYS A 64 10.269 -5.765 10.805 1.00 41.54 N ATOM 866 CA LYS A 64 10.075 -7.198 10.847 1.00 1.44 C ATOM 867 C LYS A 64 8.671 -7.532 10.396 1.00 1.23 C ATOM 868 O LYS A 64 7.837 -6.633 10.238 1.00 44.53 O ATOM 869 CB LYS A 64 10.314 -7.782 12.273 1.00 23.44 C ATOM 870 CG LYS A 64 11.733 -7.617 12.859 1.00 55.02 C ATOM 871 CD LYS A 64 12.074 -6.170 13.159 1.00 12.41 C ATOM 872 CE LYS A 64 13.471 -6.015 13.717 1.00 23.21 C ATOM 873 NZ LYS A 64 13.802 -4.593 13.952 1.00 35.52 N ATOM 0 H LYS A 64 9.740 -5.255 11.512 1.00 41.54 H new ATOM 0 HA LYS A 64 10.807 -7.649 10.177 1.00 1.44 H new ATOM 0 HB2 LYS A 64 9.607 -7.312 12.956 1.00 23.44 H new ATOM 0 HB3 LYS A 64 10.077 -8.846 12.250 1.00 23.44 H new ATOM 0 HG2 LYS A 64 11.815 -8.203 13.774 1.00 55.02 H new ATOM 0 HG3 LYS A 64 12.462 -8.020 12.156 1.00 55.02 H new ATOM 0 HD2 LYS A 64 11.982 -5.580 12.247 1.00 12.41 H new ATOM 0 HD3 LYS A 64 11.353 -5.769 13.872 1.00 12.41 H new ATOM 0 HE2 LYS A 64 13.555 -6.569 14.652 1.00 23.21 H new ATOM 0 HE3 LYS A 64 14.192 -6.448 13.024 1.00 23.21 H new ATOM 0 HZ1 LYS A 64 14.708 -4.527 14.458 1.00 35.52 H new ATOM 0 HZ2 LYS A 64 13.878 -4.099 13.040 1.00 35.52 H new ATOM 0 HZ3 LYS A 64 13.053 -4.152 14.523 1.00 35.52 H new ATOM 887 N SER A 65 8.419 -8.809 10.176 1.00 62.32 N ATOM 888 CA SER A 65 7.134 -9.285 9.722 1.00 62.54 C ATOM 889 C SER A 65 5.992 -8.861 10.648 1.00 40.23 C ATOM 890 O SER A 65 6.073 -9.024 11.878 1.00 74.25 O ATOM 891 CB SER A 65 7.184 -10.804 9.540 1.00 72.11 C ATOM 892 OG SER A 65 7.700 -11.465 10.697 1.00 63.13 O ATOM 0 H SER A 65 9.109 -9.548 10.310 1.00 62.32 H new ATOM 0 HA SER A 65 6.922 -8.821 8.759 1.00 62.54 H new ATOM 0 HB2 SER A 65 6.182 -11.177 9.326 1.00 72.11 H new ATOM 0 HB3 SER A 65 7.805 -11.046 8.677 1.00 72.11 H new ATOM 0 HG SER A 65 7.413 -10.987 11.503 1.00 63.13 H new ATOM 898 N GLY A 66 4.948 -8.312 10.062 1.00 11.40 N ATOM 899 CA GLY A 66 3.817 -7.866 10.836 1.00 13.14 C ATOM 900 C GLY A 66 3.877 -6.383 11.132 1.00 50.22 C ATOM 901 O GLY A 66 3.022 -5.848 11.846 1.00 31.32 O ATOM 0 H GLY A 66 4.863 -8.166 9.056 1.00 11.40 H new ATOM 0 HA2 GLY A 66 2.898 -8.090 10.295 1.00 13.14 H new ATOM 0 HA3 GLY A 66 3.779 -8.421 11.773 1.00 13.14 H new ATOM 905 N GLU A 67 4.886 -5.721 10.601 1.00 14.13 N ATOM 906 CA GLU A 67 5.021 -4.290 10.740 1.00 42.54 C ATOM 907 C GLU A 67 4.927 -3.642 9.382 1.00 74.12 C ATOM 908 O GLU A 67 4.995 -4.316 8.344 1.00 63.02 O ATOM 909 CB GLU A 67 6.368 -3.880 11.369 1.00 12.01 C ATOM 910 CG GLU A 67 6.605 -4.332 12.794 1.00 53.12 C ATOM 911 CD GLU A 67 7.931 -3.821 13.324 1.00 35.41 C ATOM 912 OE1 GLU A 67 7.969 -2.690 13.898 1.00 54.33 O ATOM 913 OE2 GLU A 67 8.954 -4.523 13.174 1.00 43.12 O ATOM 0 H GLU A 67 5.632 -6.161 10.063 1.00 14.13 H new ATOM 0 HA GLU A 67 4.218 -3.960 11.399 1.00 42.54 H new ATOM 0 HB2 GLU A 67 7.171 -4.274 10.746 1.00 12.01 H new ATOM 0 HB3 GLU A 67 6.444 -2.793 11.337 1.00 12.01 H new ATOM 0 HG2 GLU A 67 5.795 -3.974 13.430 1.00 53.12 H new ATOM 0 HG3 GLU A 67 6.589 -5.421 12.839 1.00 53.12 H new ATOM 920 N VAL A 68 4.779 -2.354 9.384 1.00 5.24 N ATOM 921 CA VAL A 68 4.757 -1.606 8.172 1.00 63.41 C ATOM 922 C VAL A 68 5.819 -0.527 8.256 1.00 52.44 C ATOM 923 O VAL A 68 6.016 0.083 9.316 1.00 13.13 O ATOM 924 CB VAL A 68 3.345 -0.974 7.893 1.00 12.35 C ATOM 925 CG1 VAL A 68 2.957 0.057 8.943 1.00 62.31 C ATOM 926 CG2 VAL A 68 3.270 -0.370 6.507 1.00 52.21 C ATOM 0 H VAL A 68 4.670 -1.793 10.229 1.00 5.24 H new ATOM 0 HA VAL A 68 4.965 -2.278 7.340 1.00 63.41 H new ATOM 0 HB VAL A 68 2.626 -1.791 7.951 1.00 12.35 H new ATOM 0 HG11 VAL A 68 1.974 0.465 8.707 1.00 62.31 H new ATOM 0 HG12 VAL A 68 2.927 -0.417 9.924 1.00 62.31 H new ATOM 0 HG13 VAL A 68 3.692 0.862 8.951 1.00 62.31 H new ATOM 0 HG21 VAL A 68 2.280 0.057 6.349 1.00 52.21 H new ATOM 0 HG22 VAL A 68 4.023 0.413 6.410 1.00 52.21 H new ATOM 0 HG23 VAL A 68 3.454 -1.144 5.762 1.00 52.21 H new ATOM 932 N ALA A 69 6.532 -0.330 7.198 1.00 74.34 N ATOM 933 CA ALA A 69 7.495 0.726 7.143 1.00 12.25 C ATOM 934 C ALA A 69 6.894 1.841 6.339 1.00 63.01 C ATOM 935 O ALA A 69 6.335 1.602 5.269 1.00 50.41 O ATOM 936 CB ALA A 69 8.798 0.242 6.533 1.00 73.44 C ATOM 0 H ALA A 69 6.467 -0.892 6.349 1.00 74.34 H new ATOM 0 HA ALA A 69 7.736 1.076 8.147 1.00 12.25 H new ATOM 0 HB1 ALA A 69 9.513 1.064 6.503 1.00 73.44 H new ATOM 0 HB2 ALA A 69 9.203 -0.569 7.137 1.00 73.44 H new ATOM 0 HB3 ALA A 69 8.614 -0.117 5.520 1.00 73.44 H new ATOM 942 N VAL A 70 6.964 3.039 6.847 1.00 3.53 N ATOM 943 CA VAL A 70 6.329 4.157 6.193 1.00 5.40 C ATOM 944 C VAL A 70 7.343 5.242 5.973 1.00 40.33 C ATOM 945 O VAL A 70 8.183 5.499 6.836 1.00 35.04 O ATOM 946 CB VAL A 70 5.167 4.753 7.045 1.00 10.02 C ATOM 947 CG1 VAL A 70 4.374 5.785 6.267 1.00 31.10 C ATOM 948 CG2 VAL A 70 4.268 3.678 7.637 1.00 15.54 C ATOM 0 H VAL A 70 7.453 3.270 7.712 1.00 3.53 H new ATOM 0 HA VAL A 70 5.920 3.793 5.251 1.00 5.40 H new ATOM 0 HB VAL A 70 5.630 5.266 7.888 1.00 10.02 H new ATOM 0 HG11 VAL A 70 3.573 6.177 6.894 1.00 31.10 H new ATOM 0 HG12 VAL A 70 5.033 6.600 5.968 1.00 31.10 H new ATOM 0 HG13 VAL A 70 3.945 5.321 5.379 1.00 31.10 H new ATOM 0 HG21 VAL A 70 3.476 4.147 8.221 1.00 15.54 H new ATOM 0 HG22 VAL A 70 3.826 3.090 6.833 1.00 15.54 H new ATOM 0 HG23 VAL A 70 4.857 3.026 8.282 1.00 15.54 H new ATOM 954 N LEU A 71 7.287 5.856 4.840 1.00 64.43 N ATOM 955 CA LEU A 71 8.168 6.942 4.529 1.00 31.22 C ATOM 956 C LEU A 71 7.336 8.124 4.097 1.00 74.45 C ATOM 957 O LEU A 71 6.397 7.960 3.313 1.00 61.45 O ATOM 958 CB LEU A 71 9.102 6.548 3.380 1.00 33.41 C ATOM 959 CG LEU A 71 9.947 5.286 3.582 1.00 11.32 C ATOM 960 CD1 LEU A 71 10.776 5.020 2.353 1.00 22.50 C ATOM 961 CD2 LEU A 71 10.842 5.414 4.800 1.00 35.15 C ATOM 0 H LEU A 71 6.628 5.622 4.097 1.00 64.43 H new ATOM 0 HA LEU A 71 8.765 7.190 5.407 1.00 31.22 H new ATOM 0 HB2 LEU A 71 8.499 6.414 2.482 1.00 33.41 H new ATOM 0 HB3 LEU A 71 9.777 7.382 3.189 1.00 33.41 H new ATOM 0 HG LEU A 71 9.271 4.447 3.748 1.00 11.32 H new ATOM 0 HD11 LEU A 71 11.374 4.121 2.505 1.00 22.50 H new ATOM 0 HD12 LEU A 71 10.119 4.878 1.495 1.00 22.50 H new ATOM 0 HD13 LEU A 71 11.436 5.868 2.169 1.00 22.50 H new ATOM 0 HD21 LEU A 71 11.429 4.503 4.917 1.00 35.15 H new ATOM 0 HD22 LEU A 71 11.512 6.264 4.671 1.00 35.15 H new ATOM 0 HD23 LEU A 71 10.228 5.567 5.688 1.00 35.15 H new ATOM 969 N LYS A 72 7.631 9.297 4.615 1.00 24.14 N ATOM 970 CA LYS A 72 6.952 10.473 4.149 1.00 1.43 C ATOM 971 C LYS A 72 7.660 10.967 2.910 1.00 51.32 C ATOM 972 O LYS A 72 8.814 11.399 2.970 1.00 31.24 O ATOM 973 CB LYS A 72 6.928 11.576 5.202 1.00 41.32 C ATOM 974 CG LYS A 72 6.238 12.858 4.724 1.00 14.05 C ATOM 975 CD LYS A 72 6.249 13.960 5.780 1.00 15.22 C ATOM 976 CE LYS A 72 5.440 13.596 7.010 1.00 1.20 C ATOM 977 NZ LYS A 72 5.446 14.678 8.014 1.00 55.25 N ATOM 0 H LYS A 72 8.325 9.455 5.346 1.00 24.14 H new ATOM 0 HA LYS A 72 5.916 10.214 3.931 1.00 1.43 H new ATOM 0 HB2 LYS A 72 6.418 11.208 6.092 1.00 41.32 H new ATOM 0 HB3 LYS A 72 7.951 11.811 5.495 1.00 41.32 H new ATOM 0 HG2 LYS A 72 6.734 13.219 3.823 1.00 14.05 H new ATOM 0 HG3 LYS A 72 5.207 12.631 4.452 1.00 14.05 H new ATOM 0 HD2 LYS A 72 7.278 14.166 6.074 1.00 15.22 H new ATOM 0 HD3 LYS A 72 5.852 14.878 5.347 1.00 15.22 H new ATOM 0 HE2 LYS A 72 4.413 13.378 6.717 1.00 1.20 H new ATOM 0 HE3 LYS A 72 5.844 12.687 7.454 1.00 1.20 H new ATOM 0 HZ1 LYS A 72 4.882 14.389 8.839 1.00 55.25 H new ATOM 0 HZ2 LYS A 72 6.424 14.869 8.313 1.00 55.25 H new ATOM 0 HZ3 LYS A 72 5.036 15.539 7.599 1.00 55.25 H new ATOM 991 N ARG A 73 6.993 10.891 1.811 1.00 71.34 N ATOM 992 CA ARG A 73 7.545 11.300 0.536 1.00 23.01 C ATOM 993 C ARG A 73 6.502 12.116 -0.163 1.00 74.34 C ATOM 994 O ARG A 73 5.377 11.689 -0.248 1.00 32.24 O ATOM 995 CB ARG A 73 7.894 10.089 -0.345 1.00 12.45 C ATOM 996 CG ARG A 73 8.872 9.069 0.252 1.00 60.32 C ATOM 997 CD ARG A 73 10.208 9.689 0.648 1.00 3.31 C ATOM 998 NE ARG A 73 10.866 10.383 -0.462 1.00 2.14 N ATOM 999 CZ ARG A 73 12.181 10.604 -0.543 1.00 30.44 C ATOM 1000 NH1 ARG A 73 13.018 10.017 0.308 1.00 10.25 N ATOM 1001 NH2 ARG A 73 12.661 11.370 -1.513 1.00 4.15 N ATOM 0 H ARG A 73 6.036 10.541 1.756 1.00 71.34 H new ATOM 0 HA ARG A 73 8.461 11.865 0.708 1.00 23.01 H new ATOM 0 HB2 ARG A 73 6.969 9.570 -0.594 1.00 12.45 H new ATOM 0 HB3 ARG A 73 8.314 10.457 -1.281 1.00 12.45 H new ATOM 0 HG2 ARG A 73 8.417 8.607 1.129 1.00 60.32 H new ATOM 0 HG3 ARG A 73 9.047 8.274 -0.473 1.00 60.32 H new ATOM 0 HD2 ARG A 73 10.048 10.392 1.466 1.00 3.31 H new ATOM 0 HD3 ARG A 73 10.868 8.907 1.024 1.00 3.31 H new ATOM 0 HE ARG A 73 10.280 10.721 -1.225 1.00 2.14 H new ATOM 0 HH11 ARG A 73 12.657 9.393 1.029 1.00 10.25 H new ATOM 0 HH12 ARG A 73 14.021 10.191 0.239 1.00 10.25 H new ATOM 0 HH21 ARG A 73 12.027 11.788 -2.194 1.00 4.15 H new ATOM 0 HH22 ARG A 73 13.664 11.541 -1.578 1.00 4.15 H new ATOM 1013 N ASP A 74 6.872 13.292 -0.633 1.00 10.32 N ATOM 1014 CA ASP A 74 5.950 14.237 -1.321 1.00 72.32 C ATOM 1015 C ASP A 74 4.815 14.640 -0.388 1.00 21.51 C ATOM 1016 O ASP A 74 3.739 15.003 -0.835 1.00 20.15 O ATOM 1017 CB ASP A 74 5.310 13.607 -2.594 1.00 10.20 C ATOM 1018 CG ASP A 74 6.288 13.159 -3.640 1.00 12.05 C ATOM 1019 OD1 ASP A 74 7.013 14.008 -4.190 1.00 21.43 O ATOM 1020 OD2 ASP A 74 6.306 11.951 -3.973 1.00 42.51 O ATOM 0 H ASP A 74 7.827 13.642 -0.558 1.00 10.32 H new ATOM 0 HA ASP A 74 6.549 15.101 -1.608 1.00 72.32 H new ATOM 0 HB2 ASP A 74 4.706 12.751 -2.293 1.00 10.20 H new ATOM 0 HB3 ASP A 74 4.632 14.335 -3.040 1.00 10.20 H new ATOM 1025 N GLY A 75 5.080 14.626 0.902 1.00 71.05 N ATOM 1026 CA GLY A 75 4.068 14.981 1.886 1.00 13.43 C ATOM 1027 C GLY A 75 3.061 13.864 2.153 1.00 0.30 C ATOM 1028 O GLY A 75 2.292 13.937 3.099 1.00 23.31 O ATOM 0 H GLY A 75 5.986 14.373 1.297 1.00 71.05 H new ATOM 0 HA2 GLY A 75 4.560 15.248 2.822 1.00 13.43 H new ATOM 0 HA3 GLY A 75 3.534 15.867 1.543 1.00 13.43 H new ATOM 1032 N ARG A 76 3.098 12.836 1.339 1.00 61.03 N ATOM 1033 CA ARG A 76 2.207 11.689 1.448 1.00 63.52 C ATOM 1034 C ARG A 76 2.987 10.518 2.010 1.00 40.41 C ATOM 1035 O ARG A 76 4.210 10.610 2.194 1.00 25.02 O ATOM 1036 CB ARG A 76 1.596 11.342 0.073 1.00 70.32 C ATOM 1037 CG ARG A 76 2.647 11.137 -0.980 1.00 43.11 C ATOM 1038 CD ARG A 76 2.108 10.873 -2.354 1.00 25.51 C ATOM 1039 NE ARG A 76 3.219 10.858 -3.314 1.00 35.15 N ATOM 1040 CZ ARG A 76 3.131 10.666 -4.625 1.00 72.33 C ATOM 1041 NH1 ARG A 76 1.951 10.402 -5.196 1.00 71.21 N ATOM 1042 NH2 ARG A 76 4.231 10.750 -5.364 1.00 53.54 N ATOM 0 H ARG A 76 3.759 12.765 0.565 1.00 61.03 H new ATOM 0 HA ARG A 76 1.382 11.926 2.119 1.00 63.52 H new ATOM 0 HB2 ARG A 76 0.993 10.438 0.163 1.00 70.32 H new ATOM 0 HB3 ARG A 76 0.925 12.143 -0.237 1.00 70.32 H new ATOM 0 HG2 ARG A 76 3.283 12.021 -1.017 1.00 43.11 H new ATOM 0 HG3 ARG A 76 3.280 10.300 -0.685 1.00 43.11 H new ATOM 0 HD2 ARG A 76 1.582 9.919 -2.374 1.00 25.51 H new ATOM 0 HD3 ARG A 76 1.385 11.642 -2.628 1.00 25.51 H new ATOM 0 HE ARG A 76 4.154 11.011 -2.935 1.00 35.15 H new ATOM 0 HH11 ARG A 76 1.109 10.347 -4.624 1.00 71.21 H new ATOM 0 HH12 ARG A 76 1.893 10.256 -6.204 1.00 71.21 H new ATOM 0 HH21 ARG A 76 5.127 10.959 -4.923 1.00 53.54 H new ATOM 0 HH22 ARG A 76 4.180 10.605 -6.372 1.00 53.54 H new ATOM 1054 N TYR A 77 2.323 9.447 2.307 1.00 13.41 N ATOM 1055 CA TYR A 77 2.989 8.333 2.901 1.00 73.25 C ATOM 1056 C TYR A 77 3.176 7.180 1.968 1.00 54.12 C ATOM 1057 O TYR A 77 2.426 6.997 1.014 1.00 14.42 O ATOM 1058 CB TYR A 77 2.317 7.925 4.186 1.00 35.23 C ATOM 1059 CG TYR A 77 2.501 8.955 5.251 1.00 32.14 C ATOM 1060 CD1 TYR A 77 3.740 9.130 5.821 1.00 22.32 C ATOM 1061 CD2 TYR A 77 1.463 9.757 5.671 1.00 2.03 C ATOM 1062 CE1 TYR A 77 3.956 10.066 6.780 1.00 64.44 C ATOM 1063 CE2 TYR A 77 1.663 10.714 6.643 1.00 0.15 C ATOM 1064 CZ TYR A 77 2.914 10.866 7.195 1.00 14.10 C ATOM 1065 OH TYR A 77 3.117 11.816 8.173 1.00 33.22 O ATOM 0 H TYR A 77 1.323 9.320 2.149 1.00 13.41 H new ATOM 0 HA TYR A 77 3.998 8.668 3.141 1.00 73.25 H new ATOM 0 HB2 TYR A 77 1.253 7.770 4.008 1.00 35.23 H new ATOM 0 HB3 TYR A 77 2.725 6.973 4.525 1.00 35.23 H new ATOM 0 HD1 TYR A 77 4.561 8.508 5.498 1.00 22.32 H new ATOM 0 HD2 TYR A 77 0.483 9.635 5.235 1.00 2.03 H new ATOM 0 HE1 TYR A 77 4.938 10.183 7.215 1.00 64.44 H new ATOM 0 HE2 TYR A 77 0.845 11.339 6.968 1.00 0.15 H new ATOM 0 HH TYR A 77 2.361 12.440 8.185 1.00 33.22 H new ATOM 1075 N ILE A 78 4.195 6.412 2.237 1.00 60.44 N ATOM 1076 CA ILE A 78 4.510 5.260 1.442 1.00 30.13 C ATOM 1077 C ILE A 78 4.564 4.088 2.393 1.00 1.31 C ATOM 1078 O ILE A 78 5.376 4.083 3.316 1.00 2.53 O ATOM 1079 CB ILE A 78 5.897 5.404 0.732 1.00 1.13 C ATOM 1080 CG1 ILE A 78 6.009 6.736 -0.049 1.00 40.41 C ATOM 1081 CG2 ILE A 78 6.124 4.229 -0.217 1.00 44.14 C ATOM 1082 CD1 ILE A 78 5.000 6.909 -1.169 1.00 1.41 C ATOM 0 H ILE A 78 4.833 6.569 3.018 1.00 60.44 H new ATOM 0 HA ILE A 78 3.759 5.133 0.662 1.00 30.13 H new ATOM 0 HB ILE A 78 6.664 5.405 1.507 1.00 1.13 H new ATOM 0 HG12 ILE A 78 5.895 7.562 0.653 1.00 40.41 H new ATOM 0 HG13 ILE A 78 7.012 6.810 -0.469 1.00 40.41 H new ATOM 0 HG21 ILE A 78 7.092 4.338 -0.706 1.00 44.14 H new ATOM 0 HG22 ILE A 78 6.106 3.297 0.347 1.00 44.14 H new ATOM 0 HG23 ILE A 78 5.336 4.212 -0.970 1.00 44.14 H new ATOM 0 HD11 ILE A 78 5.158 7.871 -1.656 1.00 1.41 H new ATOM 0 HD12 ILE A 78 5.125 6.108 -1.898 1.00 1.41 H new ATOM 0 HD13 ILE A 78 3.991 6.872 -0.759 1.00 1.41 H new ATOM 1089 N TYR A 79 3.699 3.134 2.196 1.00 64.44 N ATOM 1090 CA TYR A 79 3.591 2.005 3.089 1.00 43.12 C ATOM 1091 C TYR A 79 4.237 0.762 2.516 1.00 30.20 C ATOM 1092 O TYR A 79 4.002 0.390 1.353 1.00 13.54 O ATOM 1093 CB TYR A 79 2.130 1.710 3.425 1.00 23.33 C ATOM 1094 CG TYR A 79 1.416 2.814 4.166 1.00 31.15 C ATOM 1095 CD1 TYR A 79 1.437 2.858 5.546 1.00 65.21 C ATOM 1096 CD2 TYR A 79 0.709 3.805 3.488 1.00 60.44 C ATOM 1097 CE1 TYR A 79 0.787 3.849 6.238 1.00 34.11 C ATOM 1098 CE2 TYR A 79 0.053 4.805 4.177 1.00 33.51 C ATOM 1099 CZ TYR A 79 0.098 4.818 5.555 1.00 2.41 C ATOM 1100 OH TYR A 79 -0.552 5.810 6.264 1.00 40.15 O ATOM 0 H TYR A 79 3.046 3.113 1.412 1.00 64.44 H new ATOM 0 HA TYR A 79 4.124 2.277 4.000 1.00 43.12 H new ATOM 0 HB2 TYR A 79 1.593 1.507 2.499 1.00 23.33 H new ATOM 0 HB3 TYR A 79 2.086 0.801 4.025 1.00 23.33 H new ATOM 0 HD1 TYR A 79 1.976 2.097 6.092 1.00 65.21 H new ATOM 0 HD2 TYR A 79 0.674 3.790 2.409 1.00 60.44 H new ATOM 0 HE1 TYR A 79 0.818 3.866 7.317 1.00 34.11 H new ATOM 0 HE2 TYR A 79 -0.490 5.570 3.642 1.00 33.51 H new ATOM 0 HH TYR A 79 -1.512 5.774 6.071 1.00 40.15 H new ATOM 1110 N TYR A 80 5.062 0.146 3.318 1.00 34.43 N ATOM 1111 CA TYR A 80 5.700 -1.101 2.992 1.00 52.12 C ATOM 1112 C TYR A 80 5.293 -2.155 3.996 1.00 64.33 C ATOM 1113 O TYR A 80 5.749 -2.130 5.141 1.00 0.12 O ATOM 1114 CB TYR A 80 7.219 -0.955 3.016 1.00 21.22 C ATOM 1115 CG TYR A 80 7.774 -0.003 1.996 1.00 72.31 C ATOM 1116 CD1 TYR A 80 7.917 1.350 2.272 1.00 2.22 C ATOM 1117 CD2 TYR A 80 8.160 -0.459 0.759 1.00 43.31 C ATOM 1118 CE1 TYR A 80 8.431 2.212 1.332 1.00 51.54 C ATOM 1119 CE2 TYR A 80 8.675 0.388 -0.184 1.00 71.14 C ATOM 1120 CZ TYR A 80 8.810 1.724 0.102 1.00 22.10 C ATOM 1121 OH TYR A 80 9.316 2.574 -0.847 1.00 24.12 O ATOM 0 H TYR A 80 5.316 0.505 4.238 1.00 34.43 H new ATOM 0 HA TYR A 80 5.388 -1.394 1.990 1.00 52.12 H new ATOM 0 HB2 TYR A 80 7.523 -0.621 4.008 1.00 21.22 H new ATOM 0 HB3 TYR A 80 7.667 -1.936 2.859 1.00 21.22 H new ATOM 0 HD1 TYR A 80 7.621 1.731 3.238 1.00 2.22 H new ATOM 0 HD2 TYR A 80 8.055 -1.508 0.526 1.00 43.31 H new ATOM 0 HE1 TYR A 80 8.536 3.263 1.557 1.00 51.54 H new ATOM 0 HE2 TYR A 80 8.974 0.007 -1.149 1.00 71.14 H new ATOM 0 HH TYR A 80 9.534 2.067 -1.657 1.00 24.12 H new ATOM 1131 N LEU A 81 4.418 -3.040 3.596 1.00 24.33 N ATOM 1132 CA LEU A 81 3.982 -4.124 4.460 1.00 71.13 C ATOM 1133 C LEU A 81 5.053 -5.197 4.479 1.00 73.21 C ATOM 1134 O LEU A 81 5.413 -5.748 3.423 1.00 71.04 O ATOM 1135 CB LEU A 81 2.649 -4.710 3.965 1.00 72.11 C ATOM 1136 CG LEU A 81 1.469 -3.731 3.881 1.00 15.23 C ATOM 1137 CD1 LEU A 81 0.247 -4.418 3.313 1.00 71.51 C ATOM 1138 CD2 LEU A 81 1.140 -3.168 5.246 1.00 75.44 C ATOM 0 H LEU A 81 3.986 -3.037 2.672 1.00 24.33 H new ATOM 0 HA LEU A 81 3.826 -3.741 5.469 1.00 71.13 H new ATOM 0 HB2 LEU A 81 2.809 -5.139 2.976 1.00 72.11 H new ATOM 0 HB3 LEU A 81 2.368 -5.530 4.626 1.00 72.11 H new ATOM 0 HG LEU A 81 1.761 -2.914 3.221 1.00 15.23 H new ATOM 0 HD11 LEU A 81 -0.578 -3.708 3.261 1.00 71.51 H new ATOM 0 HD12 LEU A 81 0.470 -4.789 2.312 1.00 71.51 H new ATOM 0 HD13 LEU A 81 -0.032 -5.253 3.955 1.00 71.51 H new ATOM 0 HD21 LEU A 81 0.301 -2.477 5.162 1.00 75.44 H new ATOM 0 HD22 LEU A 81 0.874 -3.982 5.921 1.00 75.44 H new ATOM 0 HD23 LEU A 81 2.008 -2.639 5.640 1.00 75.44 H new ATOM 1146 N ILE A 82 5.580 -5.477 5.651 1.00 34.44 N ATOM 1147 CA ILE A 82 6.640 -6.444 5.783 1.00 53.20 C ATOM 1148 C ILE A 82 6.057 -7.842 5.972 1.00 3.10 C ATOM 1149 O ILE A 82 5.455 -8.160 7.009 1.00 11.20 O ATOM 1150 CB ILE A 82 7.591 -6.106 6.953 1.00 54.13 C ATOM 1151 CG1 ILE A 82 8.141 -4.669 6.824 1.00 33.13 C ATOM 1152 CG2 ILE A 82 8.737 -7.104 6.993 1.00 41.10 C ATOM 1153 CD1 ILE A 82 8.933 -4.399 5.554 1.00 1.43 C ATOM 0 H ILE A 82 5.288 -5.045 6.528 1.00 34.44 H new ATOM 0 HA ILE A 82 7.225 -6.414 4.864 1.00 53.20 H new ATOM 0 HB ILE A 82 7.026 -6.169 7.883 1.00 54.13 H new ATOM 0 HG12 ILE A 82 7.306 -3.970 6.870 1.00 33.13 H new ATOM 0 HG13 ILE A 82 8.778 -4.461 7.684 1.00 33.13 H new ATOM 0 HG21 ILE A 82 9.404 -6.860 7.820 1.00 41.10 H new ATOM 0 HG22 ILE A 82 8.339 -8.109 7.132 1.00 41.10 H new ATOM 0 HG23 ILE A 82 9.291 -7.060 6.055 1.00 41.10 H new ATOM 0 HD11 ILE A 82 9.278 -3.365 5.553 1.00 1.43 H new ATOM 0 HD12 ILE A 82 9.792 -5.068 5.512 1.00 1.43 H new ATOM 0 HD13 ILE A 82 8.297 -4.570 4.685 1.00 1.43 H new ATOM 1160 N THR A 83 6.241 -8.656 4.965 1.00 75.43 N ATOM 1161 CA THR A 83 5.703 -9.993 4.924 1.00 23.22 C ATOM 1162 C THR A 83 6.531 -11.015 5.734 1.00 25.20 C ATOM 1163 O THR A 83 6.125 -11.426 6.810 1.00 31.33 O ATOM 1164 CB THR A 83 5.547 -10.430 3.465 1.00 44.34 C ATOM 1165 OG1 THR A 83 6.787 -10.185 2.760 1.00 2.52 O ATOM 1166 CG2 THR A 83 4.402 -9.667 2.805 1.00 61.35 C ATOM 0 H THR A 83 6.778 -8.405 4.135 1.00 75.43 H new ATOM 0 HA THR A 83 4.727 -9.969 5.408 1.00 23.22 H new ATOM 0 HB THR A 83 5.315 -11.494 3.428 1.00 44.34 H new ATOM 0 HG1 THR A 83 6.765 -9.290 2.360 1.00 2.52 H new ATOM 0 HG21 THR A 83 4.302 -9.987 1.768 1.00 61.35 H new ATOM 0 HG22 THR A 83 3.474 -9.870 3.339 1.00 61.35 H new ATOM 0 HG23 THR A 83 4.612 -8.598 2.836 1.00 61.35 H new ATOM 1172 N LYS A 84 7.667 -11.411 5.187 1.00 70.43 N ATOM 1173 CA LYS A 84 8.632 -12.341 5.802 1.00 43.34 C ATOM 1174 C LYS A 84 9.993 -12.024 5.244 1.00 1.41 C ATOM 1175 O LYS A 84 10.080 -11.146 4.412 1.00 43.04 O ATOM 1176 CB LYS A 84 8.261 -13.824 5.552 1.00 54.41 C ATOM 1177 CG LYS A 84 7.093 -14.343 6.394 1.00 23.32 C ATOM 1178 CD LYS A 84 7.407 -14.233 7.894 1.00 42.22 C ATOM 1179 CE LYS A 84 6.291 -14.776 8.750 1.00 3.13 C ATOM 1180 NZ LYS A 84 6.577 -14.642 10.191 1.00 63.22 N ATOM 0 H LYS A 84 7.965 -11.088 4.267 1.00 70.43 H new ATOM 0 HA LYS A 84 8.620 -12.209 6.884 1.00 43.34 H new ATOM 0 HB2 LYS A 84 8.015 -13.950 4.498 1.00 54.41 H new ATOM 0 HB3 LYS A 84 9.137 -14.442 5.751 1.00 54.41 H new ATOM 0 HG2 LYS A 84 6.192 -13.773 6.164 1.00 23.32 H new ATOM 0 HG3 LYS A 84 6.887 -15.382 6.137 1.00 23.32 H new ATOM 0 HD2 LYS A 84 8.327 -14.776 8.112 1.00 42.22 H new ATOM 0 HD3 LYS A 84 7.585 -13.189 8.151 1.00 42.22 H new ATOM 0 HE2 LYS A 84 5.366 -14.250 8.515 1.00 3.13 H new ATOM 0 HE3 LYS A 84 6.130 -15.827 8.510 1.00 3.13 H new ATOM 0 HZ1 LYS A 84 5.709 -14.819 10.735 1.00 63.22 H new ATOM 0 HZ2 LYS A 84 7.305 -15.332 10.466 1.00 63.22 H new ATOM 0 HZ3 LYS A 84 6.919 -13.680 10.389 1.00 63.22 H new ATOM 1194 N LYS A 85 11.055 -12.749 5.658 1.00 55.42 N ATOM 1195 CA LYS A 85 12.434 -12.391 5.220 1.00 72.35 C ATOM 1196 C LYS A 85 12.584 -12.338 3.722 1.00 43.00 C ATOM 1197 O LYS A 85 13.073 -11.373 3.207 1.00 2.23 O ATOM 1198 CB LYS A 85 13.536 -13.333 5.770 1.00 25.05 C ATOM 1199 CG LYS A 85 13.900 -13.177 7.241 1.00 44.31 C ATOM 1200 CD LYS A 85 12.802 -13.606 8.169 1.00 22.53 C ATOM 1201 CE LYS A 85 13.222 -13.445 9.604 1.00 61.03 C ATOM 1202 NZ LYS A 85 13.447 -12.029 9.962 1.00 21.04 N ATOM 0 H LYS A 85 10.996 -13.560 6.274 1.00 55.42 H new ATOM 0 HA LYS A 85 12.575 -11.396 5.643 1.00 72.35 H new ATOM 0 HB2 LYS A 85 13.216 -14.362 5.606 1.00 25.05 H new ATOM 0 HB3 LYS A 85 14.439 -13.182 5.178 1.00 25.05 H new ATOM 0 HG2 LYS A 85 14.795 -13.763 7.452 1.00 44.31 H new ATOM 0 HG3 LYS A 85 14.148 -12.134 7.439 1.00 44.31 H new ATOM 0 HD2 LYS A 85 11.907 -13.014 7.979 1.00 22.53 H new ATOM 0 HD3 LYS A 85 12.543 -14.647 7.976 1.00 22.53 H new ATOM 0 HE2 LYS A 85 12.456 -13.866 10.255 1.00 61.03 H new ATOM 0 HE3 LYS A 85 14.136 -14.012 9.780 1.00 61.03 H new ATOM 0 HZ1 LYS A 85 14.385 -11.926 10.399 1.00 21.04 H new ATOM 0 HZ2 LYS A 85 13.398 -11.442 9.105 1.00 21.04 H new ATOM 0 HZ3 LYS A 85 12.716 -11.721 10.635 1.00 21.04 H new ATOM 1216 N ARG A 86 12.113 -13.343 3.028 1.00 43.53 N ATOM 1217 CA ARG A 86 12.334 -13.410 1.595 1.00 73.00 C ATOM 1218 C ARG A 86 11.057 -13.815 0.895 1.00 1.43 C ATOM 1219 O ARG A 86 10.228 -14.500 1.481 1.00 74.04 O ATOM 1220 CB ARG A 86 13.428 -14.442 1.276 1.00 31.34 C ATOM 1221 CG ARG A 86 14.757 -14.211 1.994 1.00 41.14 C ATOM 1222 CD ARG A 86 15.767 -15.270 1.609 1.00 72.11 C ATOM 1223 NE ARG A 86 17.027 -15.129 2.328 1.00 72.34 N ATOM 1224 CZ ARG A 86 17.956 -16.087 2.419 1.00 24.22 C ATOM 1225 NH1 ARG A 86 17.784 -17.247 1.798 1.00 73.23 N ATOM 1226 NH2 ARG A 86 19.054 -15.883 3.135 1.00 10.11 N ATOM 0 H ARG A 86 11.580 -14.119 3.420 1.00 43.53 H new ATOM 0 HA ARG A 86 12.648 -12.426 1.246 1.00 73.00 H new ATOM 0 HB2 ARG A 86 13.059 -15.434 1.536 1.00 31.34 H new ATOM 0 HB3 ARG A 86 13.607 -14.440 0.201 1.00 31.34 H new ATOM 0 HG2 ARG A 86 15.145 -13.224 1.742 1.00 41.14 H new ATOM 0 HG3 ARG A 86 14.600 -14.227 3.073 1.00 41.14 H new ATOM 0 HD2 ARG A 86 15.348 -16.256 1.808 1.00 72.11 H new ATOM 0 HD3 ARG A 86 15.956 -15.214 0.537 1.00 72.11 H new ATOM 0 HE ARG A 86 17.213 -14.240 2.793 1.00 72.34 H new ATOM 0 HH11 ARG A 86 16.941 -17.411 1.248 1.00 73.23 H new ATOM 0 HH12 ARG A 86 18.495 -17.975 1.870 1.00 73.23 H new ATOM 0 HH21 ARG A 86 19.191 -14.995 3.617 1.00 10.11 H new ATOM 0 HH22 ARG A 86 19.761 -16.615 3.203 1.00 10.11 H new ATOM 1238 N ALA A 87 10.928 -13.410 -0.365 1.00 3.11 N ATOM 1239 CA ALA A 87 9.769 -13.737 -1.231 1.00 53.44 C ATOM 1240 C ALA A 87 9.656 -15.244 -1.470 1.00 4.34 C ATOM 1241 O ALA A 87 8.623 -15.757 -1.911 1.00 2.20 O ATOM 1242 CB ALA A 87 9.866 -12.997 -2.553 1.00 53.01 C ATOM 0 H ALA A 87 11.629 -12.836 -0.833 1.00 3.11 H new ATOM 0 HA ALA A 87 8.867 -13.413 -0.713 1.00 53.44 H new ATOM 0 HB1 ALA A 87 9.007 -13.249 -3.175 1.00 53.01 H new ATOM 0 HB2 ALA A 87 9.877 -11.923 -2.369 1.00 53.01 H new ATOM 0 HB3 ALA A 87 10.783 -13.287 -3.066 1.00 53.01 H new ATOM 1248 N SER A 88 10.752 -15.937 -1.224 1.00 53.12 N ATOM 1249 CA SER A 88 10.831 -17.371 -1.348 1.00 2.44 C ATOM 1250 C SER A 88 10.086 -18.053 -0.173 1.00 34.01 C ATOM 1251 O SER A 88 9.879 -19.264 -0.165 1.00 64.41 O ATOM 1252 CB SER A 88 12.299 -17.751 -1.320 1.00 41.34 C ATOM 1253 OG SER A 88 13.021 -16.980 -2.273 1.00 64.34 O ATOM 0 H SER A 88 11.627 -15.505 -0.927 1.00 53.12 H new ATOM 0 HA SER A 88 10.365 -17.699 -2.277 1.00 2.44 H new ATOM 0 HB2 SER A 88 12.707 -17.586 -0.323 1.00 41.34 H new ATOM 0 HB3 SER A 88 12.412 -18.813 -1.539 1.00 41.34 H new ATOM 0 HG SER A 88 13.968 -17.231 -2.247 1.00 64.34 H new ATOM 1259 N HIS A 89 9.698 -17.257 0.807 1.00 75.02 N ATOM 1260 CA HIS A 89 8.931 -17.735 1.938 1.00 30.40 C ATOM 1261 C HIS A 89 7.519 -17.303 1.664 1.00 22.32 C ATOM 1262 O HIS A 89 7.304 -16.133 1.363 1.00 34.31 O ATOM 1263 CB HIS A 89 9.363 -17.045 3.259 1.00 54.43 C ATOM 1264 CG HIS A 89 10.818 -17.142 3.667 1.00 15.50 C ATOM 1265 ND1 HIS A 89 11.932 -17.508 2.991 1.00 35.14 N flip ATOM 1266 CD2 HIS A 89 11.256 -16.732 4.904 1.00 44.31 C flip ATOM 1267 CE1 HIS A 89 13.005 -17.298 3.829 1.00 65.20 C flip ATOM 1268 NE2 HIS A 89 12.561 -16.824 4.978 1.00 21.12 N flip ATOM 0 H HIS A 89 9.907 -16.259 0.839 1.00 75.02 H new ATOM 0 HA HIS A 89 9.065 -18.811 2.052 1.00 30.40 H new ATOM 0 HB2 HIS A 89 9.107 -15.988 3.183 1.00 54.43 H new ATOM 0 HB3 HIS A 89 8.761 -17.462 4.066 1.00 54.43 H new ATOM 0 HD2 HIS A 89 10.616 -16.384 5.701 1.00 44.31 H new ATOM 0 HE1 HIS A 89 14.040 -17.490 3.586 1.00 65.20 H new ATOM 0 HE2 HIS A 89 13.134 -16.573 5.784 1.00 21.12 H new ATOM 1277 N LYS A 90 6.565 -18.191 1.738 1.00 21.51 N ATOM 1278 CA LYS A 90 5.210 -17.769 1.476 1.00 23.52 C ATOM 1279 C LYS A 90 4.559 -17.275 2.764 1.00 15.42 C ATOM 1280 O LYS A 90 4.441 -18.026 3.757 1.00 41.54 O ATOM 1281 CB LYS A 90 4.361 -18.859 0.782 1.00 51.35 C ATOM 1282 CG LYS A 90 4.159 -20.128 1.578 1.00 52.11 C ATOM 1283 CD LYS A 90 3.272 -21.096 0.840 1.00 64.35 C ATOM 1284 CE LYS A 90 2.998 -22.321 1.669 1.00 54.43 C ATOM 1285 NZ LYS A 90 2.147 -23.283 0.950 1.00 11.25 N ATOM 0 H LYS A 90 6.688 -19.177 1.968 1.00 21.51 H new ATOM 0 HA LYS A 90 5.255 -16.942 0.767 1.00 23.52 H new ATOM 0 HB2 LYS A 90 3.383 -18.439 0.546 1.00 51.35 H new ATOM 0 HB3 LYS A 90 4.835 -19.116 -0.166 1.00 51.35 H new ATOM 0 HG2 LYS A 90 5.124 -20.594 1.777 1.00 52.11 H new ATOM 0 HG3 LYS A 90 3.716 -19.888 2.544 1.00 52.11 H new ATOM 0 HD2 LYS A 90 2.331 -20.609 0.584 1.00 64.35 H new ATOM 0 HD3 LYS A 90 3.746 -21.386 -0.097 1.00 64.35 H new ATOM 0 HE2 LYS A 90 3.941 -22.798 1.937 1.00 54.43 H new ATOM 0 HE3 LYS A 90 2.512 -22.030 2.600 1.00 54.43 H new ATOM 0 HZ1 LYS A 90 1.979 -24.115 1.551 1.00 11.25 H new ATOM 0 HZ2 LYS A 90 1.238 -22.835 0.716 1.00 11.25 H new ATOM 0 HZ3 LYS A 90 2.622 -23.580 0.074 1.00 11.25 H new ATOM 1299 N PRO A 91 4.173 -16.006 2.803 1.00 50.45 N ATOM 1300 CA PRO A 91 3.547 -15.435 3.960 1.00 45.33 C ATOM 1301 C PRO A 91 2.087 -15.836 4.051 1.00 3.22 C ATOM 1302 O PRO A 91 1.438 -16.120 3.043 1.00 21.10 O ATOM 1303 CB PRO A 91 3.682 -13.926 3.737 1.00 75.53 C ATOM 1304 CG PRO A 91 3.697 -13.766 2.258 1.00 64.20 C ATOM 1305 CD PRO A 91 4.320 -15.020 1.704 1.00 73.44 C ATOM 0 HA PRO A 91 4.004 -15.772 4.891 1.00 45.33 H new ATOM 0 HB2 PRO A 91 2.851 -13.383 4.186 1.00 75.53 H new ATOM 0 HB3 PRO A 91 4.596 -13.539 4.187 1.00 75.53 H new ATOM 0 HG2 PRO A 91 2.687 -13.630 1.871 1.00 64.20 H new ATOM 0 HG3 PRO A 91 4.271 -12.886 1.968 1.00 64.20 H new ATOM 0 HD2 PRO A 91 3.812 -15.352 0.798 1.00 73.44 H new ATOM 0 HD3 PRO A 91 5.367 -14.865 1.444 1.00 73.44 H new ATOM 1313 N THR A 92 1.584 -15.892 5.244 1.00 44.41 N ATOM 1314 CA THR A 92 0.239 -16.194 5.470 1.00 62.43 C ATOM 1315 C THR A 92 -0.559 -14.903 5.508 1.00 1.32 C ATOM 1316 O THR A 92 0.022 -13.799 5.576 1.00 10.43 O ATOM 1317 CB THR A 92 0.124 -16.901 6.816 1.00 64.24 C ATOM 1318 OG1 THR A 92 0.752 -16.087 7.820 1.00 74.51 O ATOM 1319 CG2 THR A 92 0.781 -18.275 6.776 1.00 51.44 C ATOM 0 H THR A 92 2.123 -15.723 6.094 1.00 44.41 H new ATOM 0 HA THR A 92 -0.146 -16.835 4.677 1.00 62.43 H new ATOM 0 HB THR A 92 -0.931 -17.044 7.051 1.00 64.24 H new ATOM 0 HG1 THR A 92 1.691 -16.352 7.916 1.00 74.51 H new ATOM 0 HG21 THR A 92 0.682 -18.754 7.750 1.00 51.44 H new ATOM 0 HG22 THR A 92 0.294 -18.889 6.019 1.00 51.44 H new ATOM 0 HG23 THR A 92 1.837 -18.166 6.530 1.00 51.44 H new ATOM 1325 N TYR A 93 -1.863 -15.020 5.472 1.00 22.23 N ATOM 1326 CA TYR A 93 -2.730 -13.866 5.577 1.00 53.13 C ATOM 1327 C TYR A 93 -2.609 -13.219 6.935 1.00 20.13 C ATOM 1328 O TYR A 93 -2.776 -12.023 7.060 1.00 63.14 O ATOM 1329 CB TYR A 93 -4.171 -14.188 5.204 1.00 11.32 C ATOM 1330 CG TYR A 93 -4.350 -14.455 3.729 1.00 4.03 C ATOM 1331 CD1 TYR A 93 -4.115 -15.709 3.173 1.00 0.32 C ATOM 1332 CD2 TYR A 93 -4.736 -13.433 2.889 1.00 54.34 C ATOM 1333 CE1 TYR A 93 -4.271 -15.917 1.812 1.00 54.51 C ATOM 1334 CE2 TYR A 93 -4.888 -13.631 1.549 1.00 52.12 C ATOM 1335 CZ TYR A 93 -4.658 -14.865 1.009 1.00 75.24 C ATOM 1336 OH TYR A 93 -4.807 -15.038 -0.350 1.00 31.41 O ATOM 0 H TYR A 93 -2.353 -15.909 5.370 1.00 22.23 H new ATOM 0 HA TYR A 93 -2.393 -13.134 4.842 1.00 53.13 H new ATOM 0 HB2 TYR A 93 -4.501 -15.060 5.769 1.00 11.32 H new ATOM 0 HB3 TYR A 93 -4.812 -13.357 5.498 1.00 11.32 H new ATOM 0 HD1 TYR A 93 -3.808 -16.527 3.808 1.00 0.32 H new ATOM 0 HD2 TYR A 93 -4.922 -12.453 3.302 1.00 54.34 H new ATOM 0 HE1 TYR A 93 -4.091 -16.893 1.385 1.00 54.51 H new ATOM 0 HE2 TYR A 93 -5.190 -12.812 0.913 1.00 52.12 H new ATOM 0 HH TYR A 93 -5.054 -14.185 -0.763 1.00 31.41 H new ATOM 1346 N GLU A 94 -2.314 -14.035 7.945 1.00 33.12 N ATOM 1347 CA GLU A 94 -2.059 -13.566 9.305 1.00 73.15 C ATOM 1348 C GLU A 94 -1.008 -12.444 9.288 1.00 53.15 C ATOM 1349 O GLU A 94 -1.229 -11.364 9.842 1.00 73.34 O ATOM 1350 CB GLU A 94 -1.538 -14.734 10.149 1.00 51.54 C ATOM 1351 CG GLU A 94 -1.246 -14.393 11.601 1.00 72.51 C ATOM 1352 CD GLU A 94 -0.637 -15.553 12.342 1.00 61.14 C ATOM 1353 OE1 GLU A 94 -1.372 -16.448 12.774 1.00 22.10 O ATOM 1354 OE2 GLU A 94 0.598 -15.600 12.480 1.00 3.31 O ATOM 0 H GLU A 94 -2.245 -15.047 7.842 1.00 33.12 H new ATOM 0 HA GLU A 94 -2.985 -13.180 9.732 1.00 73.15 H new ATOM 0 HB2 GLU A 94 -2.272 -15.540 10.120 1.00 51.54 H new ATOM 0 HB3 GLU A 94 -0.626 -15.117 9.690 1.00 51.54 H new ATOM 0 HG2 GLU A 94 -0.569 -13.540 11.644 1.00 72.51 H new ATOM 0 HG3 GLU A 94 -2.170 -14.092 12.095 1.00 72.51 H new ATOM 1361 N ASN A 95 0.113 -12.706 8.605 1.00 74.35 N ATOM 1362 CA ASN A 95 1.225 -11.742 8.508 1.00 74.24 C ATOM 1363 C ASN A 95 0.755 -10.481 7.839 1.00 13.53 C ATOM 1364 O ASN A 95 1.050 -9.364 8.282 1.00 11.45 O ATOM 1365 CB ASN A 95 2.371 -12.304 7.662 1.00 10.30 C ATOM 1366 CG ASN A 95 2.944 -13.588 8.186 1.00 63.40 C ATOM 1367 OD1 ASN A 95 3.445 -14.392 7.293 1.00 71.43 O flip ATOM 1368 ND2 ASN A 95 2.949 -13.855 9.383 1.00 52.22 N flip ATOM 0 H ASN A 95 0.278 -13.581 8.108 1.00 74.35 H new ATOM 0 HA ASN A 95 1.572 -11.544 9.522 1.00 74.24 H new ATOM 0 HB2 ASN A 95 2.013 -12.466 6.645 1.00 10.30 H new ATOM 0 HB3 ASN A 95 3.166 -11.560 7.605 1.00 10.30 H new ATOM 0 HD21 ASN A 95 2.547 -13.200 10.053 1.00 52.22 H new ATOM 0 HD22 ASN A 95 3.355 -14.732 9.708 1.00 52.22 H new ATOM 1374 N LEU A 96 0.009 -10.666 6.771 1.00 63.42 N ATOM 1375 CA LEU A 96 -0.470 -9.572 5.974 1.00 31.30 C ATOM 1376 C LEU A 96 -1.487 -8.730 6.746 1.00 60.13 C ATOM 1377 O LEU A 96 -1.402 -7.511 6.739 1.00 41.42 O ATOM 1378 CB LEU A 96 -1.081 -10.086 4.665 1.00 12.31 C ATOM 1379 CG LEU A 96 -1.568 -9.014 3.687 1.00 71.30 C ATOM 1380 CD1 LEU A 96 -0.421 -8.117 3.251 1.00 34.34 C ATOM 1381 CD2 LEU A 96 -2.225 -9.651 2.483 1.00 24.41 C ATOM 0 H LEU A 96 -0.280 -11.585 6.435 1.00 63.42 H new ATOM 0 HA LEU A 96 0.381 -8.935 5.734 1.00 31.30 H new ATOM 0 HB2 LEU A 96 -0.339 -10.702 4.158 1.00 12.31 H new ATOM 0 HB3 LEU A 96 -1.921 -10.736 4.910 1.00 12.31 H new ATOM 0 HG LEU A 96 -2.307 -8.399 4.201 1.00 71.30 H new ATOM 0 HD11 LEU A 96 -0.792 -7.363 2.556 1.00 34.34 H new ATOM 0 HD12 LEU A 96 0.009 -7.626 4.124 1.00 34.34 H new ATOM 0 HD13 LEU A 96 0.344 -8.718 2.760 1.00 34.34 H new ATOM 0 HD21 LEU A 96 -2.565 -8.873 1.800 1.00 24.41 H new ATOM 0 HD22 LEU A 96 -1.506 -10.293 1.974 1.00 24.41 H new ATOM 0 HD23 LEU A 96 -3.078 -10.247 2.807 1.00 24.41 H new ATOM 1389 N GLN A 97 -2.424 -9.386 7.431 1.00 32.34 N ATOM 1390 CA GLN A 97 -3.459 -8.689 8.173 1.00 32.43 C ATOM 1391 C GLN A 97 -2.864 -7.833 9.274 1.00 22.24 C ATOM 1392 O GLN A 97 -3.265 -6.689 9.447 1.00 63.23 O ATOM 1393 CB GLN A 97 -4.511 -9.656 8.737 1.00 44.31 C ATOM 1394 CG GLN A 97 -5.639 -8.947 9.469 1.00 32.43 C ATOM 1395 CD GLN A 97 -6.719 -9.877 9.983 1.00 72.14 C ATOM 1396 OE1 GLN A 97 -6.468 -11.039 10.314 1.00 5.30 O ATOM 1397 NE2 GLN A 97 -7.931 -9.378 10.059 1.00 43.44 N ATOM 0 H GLN A 97 -2.482 -10.403 7.483 1.00 32.34 H new ATOM 0 HA GLN A 97 -3.967 -8.030 7.469 1.00 32.43 H new ATOM 0 HB2 GLN A 97 -4.929 -10.245 7.921 1.00 44.31 H new ATOM 0 HB3 GLN A 97 -4.026 -10.355 9.419 1.00 44.31 H new ATOM 0 HG2 GLN A 97 -5.221 -8.392 10.309 1.00 32.43 H new ATOM 0 HG3 GLN A 97 -6.091 -8.217 8.798 1.00 32.43 H new ATOM 0 HE21 GLN A 97 -8.104 -8.413 9.777 1.00 43.44 H new ATOM 0 HE22 GLN A 97 -8.700 -9.955 10.400 1.00 43.44 H new ATOM 1405 N LYS A 98 -1.874 -8.367 9.985 1.00 22.12 N ATOM 1406 CA LYS A 98 -1.221 -7.610 11.060 1.00 40.33 C ATOM 1407 C LYS A 98 -0.541 -6.365 10.498 1.00 44.02 C ATOM 1408 O LYS A 98 -0.470 -5.317 11.162 1.00 4.01 O ATOM 1409 CB LYS A 98 -0.209 -8.474 11.819 1.00 30.21 C ATOM 1410 CG LYS A 98 -0.809 -9.713 12.463 1.00 52.32 C ATOM 1411 CD LYS A 98 -1.931 -9.359 13.421 1.00 33.53 C ATOM 1412 CE LYS A 98 -2.551 -10.597 14.024 1.00 35.53 C ATOM 1413 NZ LYS A 98 -3.680 -10.271 14.916 1.00 54.11 N ATOM 0 H LYS A 98 -1.507 -9.308 9.842 1.00 22.12 H new ATOM 0 HA LYS A 98 -1.993 -7.302 11.766 1.00 40.33 H new ATOM 0 HB2 LYS A 98 0.579 -8.781 11.131 1.00 30.21 H new ATOM 0 HB3 LYS A 98 0.262 -7.868 12.593 1.00 30.21 H new ATOM 0 HG2 LYS A 98 -1.189 -10.379 11.688 1.00 52.32 H new ATOM 0 HG3 LYS A 98 -0.031 -10.258 12.998 1.00 52.32 H new ATOM 0 HD2 LYS A 98 -1.545 -8.720 14.215 1.00 33.53 H new ATOM 0 HD3 LYS A 98 -2.695 -8.787 12.894 1.00 33.53 H new ATOM 0 HE2 LYS A 98 -2.897 -11.254 13.226 1.00 35.53 H new ATOM 0 HE3 LYS A 98 -1.794 -11.146 14.584 1.00 35.53 H new ATOM 0 HZ1 LYS A 98 -4.077 -11.148 15.309 1.00 54.11 H new ATOM 0 HZ2 LYS A 98 -3.346 -9.665 15.692 1.00 54.11 H new ATOM 0 HZ3 LYS A 98 -4.415 -9.770 14.377 1.00 54.11 H new ATOM 1427 N SER A 99 -0.079 -6.480 9.270 1.00 4.04 N ATOM 1428 CA SER A 99 0.550 -5.389 8.582 1.00 64.51 C ATOM 1429 C SER A 99 -0.531 -4.382 8.088 1.00 54.40 C ATOM 1430 O SER A 99 -0.337 -3.160 8.153 1.00 64.23 O ATOM 1431 CB SER A 99 1.402 -5.942 7.433 1.00 23.51 C ATOM 1432 OG SER A 99 2.337 -6.894 7.928 1.00 21.32 O ATOM 0 H SER A 99 -0.133 -7.340 8.725 1.00 4.04 H new ATOM 0 HA SER A 99 1.212 -4.845 9.256 1.00 64.51 H new ATOM 0 HB2 SER A 99 0.759 -6.407 6.686 1.00 23.51 H new ATOM 0 HB3 SER A 99 1.930 -5.127 6.937 1.00 23.51 H new ATOM 0 HG SER A 99 1.890 -7.757 8.054 1.00 21.32 H new ATOM 1438 N LEU A 100 -1.681 -4.905 7.633 1.00 51.42 N ATOM 1439 CA LEU A 100 -2.815 -4.073 7.194 1.00 21.00 C ATOM 1440 C LEU A 100 -3.328 -3.248 8.365 1.00 53.31 C ATOM 1441 O LEU A 100 -3.696 -2.070 8.216 1.00 30.13 O ATOM 1442 CB LEU A 100 -3.972 -4.945 6.663 1.00 75.32 C ATOM 1443 CG LEU A 100 -3.686 -5.836 5.448 1.00 30.41 C ATOM 1444 CD1 LEU A 100 -4.914 -6.659 5.100 1.00 23.14 C ATOM 1445 CD2 LEU A 100 -3.257 -5.008 4.255 1.00 50.35 C ATOM 0 H LEU A 100 -1.851 -5.908 7.559 1.00 51.42 H new ATOM 0 HA LEU A 100 -2.464 -3.422 6.393 1.00 21.00 H new ATOM 0 HB2 LEU A 100 -4.312 -5.585 7.477 1.00 75.32 H new ATOM 0 HB3 LEU A 100 -4.801 -4.285 6.409 1.00 75.32 H new ATOM 0 HG LEU A 100 -2.868 -6.509 5.706 1.00 30.41 H new ATOM 0 HD11 LEU A 100 -4.698 -7.287 4.236 1.00 23.14 H new ATOM 0 HD12 LEU A 100 -5.182 -7.289 5.948 1.00 23.14 H new ATOM 0 HD13 LEU A 100 -5.744 -5.993 4.866 1.00 23.14 H new ATOM 0 HD21 LEU A 100 -3.061 -5.665 3.408 1.00 50.35 H new ATOM 0 HD22 LEU A 100 -4.050 -4.307 3.994 1.00 50.35 H new ATOM 0 HD23 LEU A 100 -2.351 -4.455 4.503 1.00 50.35 H new ATOM 1453 N GLU A 101 -3.324 -3.871 9.530 1.00 15.12 N ATOM 1454 CA GLU A 101 -3.779 -3.233 10.757 1.00 40.21 C ATOM 1455 C GLU A 101 -2.852 -2.107 11.149 1.00 75.43 C ATOM 1456 O GLU A 101 -3.277 -1.097 11.720 1.00 10.41 O ATOM 1457 CB GLU A 101 -3.904 -4.228 11.905 1.00 74.00 C ATOM 1458 CG GLU A 101 -4.964 -5.295 11.705 1.00 30.44 C ATOM 1459 CD GLU A 101 -5.085 -6.199 12.905 1.00 12.45 C ATOM 1460 OE1 GLU A 101 -5.838 -5.858 13.841 1.00 22.33 O ATOM 1461 OE2 GLU A 101 -4.431 -7.250 12.950 1.00 13.21 O ATOM 0 H GLU A 101 -3.006 -4.832 9.654 1.00 15.12 H new ATOM 0 HA GLU A 101 -4.771 -2.827 10.557 1.00 40.21 H new ATOM 0 HB2 GLU A 101 -2.940 -4.715 12.052 1.00 74.00 H new ATOM 0 HB3 GLU A 101 -4.127 -3.680 12.820 1.00 74.00 H new ATOM 0 HG2 GLU A 101 -5.925 -4.820 11.510 1.00 30.44 H new ATOM 0 HG3 GLU A 101 -4.719 -5.890 10.825 1.00 30.44 H new ATOM 1468 N ALA A 102 -1.596 -2.268 10.829 1.00 52.24 N ATOM 1469 CA ALA A 102 -0.616 -1.256 11.103 1.00 35.30 C ATOM 1470 C ALA A 102 -0.874 -0.023 10.235 1.00 60.22 C ATOM 1471 O ALA A 102 -0.718 1.116 10.690 1.00 64.35 O ATOM 1472 CB ALA A 102 0.783 -1.798 10.886 1.00 73.12 C ATOM 0 H ALA A 102 -1.226 -3.102 10.373 1.00 52.24 H new ATOM 0 HA ALA A 102 -0.699 -0.958 12.148 1.00 35.30 H new ATOM 0 HB1 ALA A 102 1.513 -1.017 11.098 1.00 73.12 H new ATOM 0 HB2 ALA A 102 0.953 -2.644 11.552 1.00 73.12 H new ATOM 0 HB3 ALA A 102 0.891 -2.123 9.851 1.00 73.12 H new ATOM 1478 N MET A 103 -1.310 -0.252 8.991 1.00 71.44 N ATOM 1479 CA MET A 103 -1.605 0.852 8.093 1.00 44.40 C ATOM 1480 C MET A 103 -2.790 1.649 8.555 1.00 4.23 C ATOM 1481 O MET A 103 -2.707 2.864 8.621 1.00 14.12 O ATOM 1482 CB MET A 103 -1.816 0.433 6.639 1.00 0.34 C ATOM 1483 CG MET A 103 -0.613 -0.180 5.979 1.00 22.01 C ATOM 1484 SD MET A 103 -0.830 -0.393 4.193 1.00 44.02 S ATOM 1485 CE MET A 103 -2.289 -1.426 4.116 1.00 72.11 C ATOM 0 H MET A 103 -1.462 -1.179 8.595 1.00 71.44 H new ATOM 0 HA MET A 103 -0.710 1.473 8.125 1.00 44.40 H new ATOM 0 HB2 MET A 103 -2.639 -0.280 6.597 1.00 0.34 H new ATOM 0 HB3 MET A 103 -2.122 1.307 6.064 1.00 0.34 H new ATOM 0 HG2 MET A 103 0.258 0.449 6.163 1.00 22.01 H new ATOM 0 HG3 MET A 103 -0.408 -1.149 6.434 1.00 22.01 H new ATOM 0 HE1 MET A 103 -2.441 -1.765 3.091 1.00 72.11 H new ATOM 0 HE2 MET A 103 -2.158 -2.290 4.768 1.00 72.11 H new ATOM 0 HE3 MET A 103 -3.158 -0.854 4.442 1.00 72.11 H new ATOM 1495 N LYS A 104 -3.895 0.970 8.888 1.00 23.13 N ATOM 1496 CA LYS A 104 -5.105 1.673 9.326 1.00 4.21 C ATOM 1497 C LYS A 104 -4.834 2.525 10.548 1.00 72.41 C ATOM 1498 O LYS A 104 -5.217 3.689 10.592 1.00 50.34 O ATOM 1499 CB LYS A 104 -6.270 0.720 9.584 1.00 43.42 C ATOM 1500 CG LYS A 104 -6.058 -0.266 10.707 1.00 24.53 C ATOM 1501 CD LYS A 104 -7.310 -1.037 11.012 1.00 12.13 C ATOM 1502 CE LYS A 104 -8.442 -0.092 11.304 1.00 54.31 C ATOM 1503 NZ LYS A 104 -9.647 -0.801 11.780 1.00 43.34 N ATOM 0 H LYS A 104 -3.976 -0.046 8.863 1.00 23.13 H new ATOM 0 HA LYS A 104 -5.397 2.328 8.505 1.00 4.21 H new ATOM 0 HB2 LYS A 104 -7.160 1.310 9.804 1.00 43.42 H new ATOM 0 HB3 LYS A 104 -6.474 0.165 8.668 1.00 43.42 H new ATOM 0 HG2 LYS A 104 -5.261 -0.959 10.438 1.00 24.53 H new ATOM 0 HG3 LYS A 104 -5.731 0.265 11.601 1.00 24.53 H new ATOM 0 HD2 LYS A 104 -7.568 -1.675 10.167 1.00 12.13 H new ATOM 0 HD3 LYS A 104 -7.143 -1.692 11.867 1.00 12.13 H new ATOM 0 HE2 LYS A 104 -8.126 0.631 12.056 1.00 54.31 H new ATOM 0 HE3 LYS A 104 -8.685 0.471 10.403 1.00 54.31 H new ATOM 0 HZ1 LYS A 104 -10.368 -0.108 12.066 1.00 43.34 H new ATOM 0 HZ2 LYS A 104 -10.024 -1.397 11.016 1.00 43.34 H new ATOM 0 HZ3 LYS A 104 -9.399 -1.398 12.595 1.00 43.34 H new ATOM 1517 N SER A 105 -4.136 1.949 11.508 1.00 71.23 N ATOM 1518 CA SER A 105 -3.780 2.637 12.726 1.00 45.04 C ATOM 1519 C SER A 105 -2.931 3.885 12.410 1.00 23.00 C ATOM 1520 O SER A 105 -3.227 4.984 12.882 1.00 42.42 O ATOM 1521 CB SER A 105 -3.024 1.674 13.639 1.00 4.54 C ATOM 1522 OG SER A 105 -3.793 0.489 13.876 1.00 53.15 O ATOM 0 H SER A 105 -3.800 0.987 11.461 1.00 71.23 H new ATOM 0 HA SER A 105 -4.683 2.974 13.236 1.00 45.04 H new ATOM 0 HB2 SER A 105 -2.069 1.409 13.185 1.00 4.54 H new ATOM 0 HB3 SER A 105 -2.801 2.164 14.587 1.00 4.54 H new ATOM 0 HG SER A 105 -3.726 -0.105 13.100 1.00 53.15 H new ATOM 1528 N HIS A 106 -1.901 3.708 11.568 1.00 32.42 N ATOM 1529 CA HIS A 106 -1.038 4.816 11.163 1.00 45.21 C ATOM 1530 C HIS A 106 -1.835 5.891 10.419 1.00 23.12 C ATOM 1531 O HIS A 106 -1.649 7.086 10.661 1.00 32.35 O ATOM 1532 CB HIS A 106 0.131 4.327 10.275 1.00 65.53 C ATOM 1533 CG HIS A 106 1.017 5.444 9.780 1.00 71.23 C ATOM 1534 ND1 HIS A 106 0.780 6.120 8.598 1.00 22.50 N ATOM 1535 CD2 HIS A 106 2.108 6.026 10.322 1.00 23.32 C ATOM 1536 CE1 HIS A 106 1.665 7.059 8.440 1.00 13.01 C ATOM 1537 NE2 HIS A 106 2.491 7.028 9.468 1.00 42.34 N ATOM 0 H HIS A 106 -1.650 2.808 11.158 1.00 32.42 H new ATOM 0 HA HIS A 106 -0.624 5.249 12.074 1.00 45.21 H new ATOM 0 HB2 HIS A 106 0.735 3.618 10.841 1.00 65.53 H new ATOM 0 HB3 HIS A 106 -0.274 3.788 9.419 1.00 65.53 H new ATOM 0 HD1 HIS A 106 0.023 5.913 7.946 1.00 22.50 H new ATOM 0 HD2 HIS A 106 2.587 5.754 11.251 1.00 23.32 H new ATOM 0 HE1 HIS A 106 1.715 7.747 7.609 1.00 13.01 H new ATOM 1546 N CYS A 107 -2.699 5.460 9.512 1.00 0.34 N ATOM 1547 CA CYS A 107 -3.503 6.375 8.723 1.00 14.42 C ATOM 1548 C CYS A 107 -4.397 7.212 9.610 1.00 23.01 C ATOM 1549 O CYS A 107 -4.391 8.426 9.514 1.00 53.20 O ATOM 1550 CB CYS A 107 -4.327 5.633 7.674 1.00 4.41 C ATOM 1551 SG CYS A 107 -3.354 4.724 6.458 1.00 31.42 S ATOM 0 H CYS A 107 -2.860 4.474 9.305 1.00 0.34 H new ATOM 0 HA CYS A 107 -2.819 7.042 8.198 1.00 14.42 H new ATOM 0 HB2 CYS A 107 -4.993 4.935 8.182 1.00 4.41 H new ATOM 0 HB3 CYS A 107 -4.957 6.352 7.151 1.00 4.41 H new ATOM 0 HG CYS A 107 -2.791 3.701 7.030 1.00 31.42 H new ATOM 1557 N LEU A 108 -5.127 6.564 10.498 1.00 22.55 N ATOM 1558 CA LEU A 108 -6.022 7.263 11.413 1.00 33.30 C ATOM 1559 C LEU A 108 -5.235 8.208 12.316 1.00 21.30 C ATOM 1560 O LEU A 108 -5.657 9.342 12.569 1.00 51.03 O ATOM 1561 CB LEU A 108 -6.815 6.259 12.252 1.00 61.52 C ATOM 1562 CG LEU A 108 -7.715 5.294 11.472 1.00 32.42 C ATOM 1563 CD1 LEU A 108 -8.376 4.310 12.415 1.00 24.52 C ATOM 1564 CD2 LEU A 108 -8.768 6.057 10.675 1.00 71.00 C ATOM 0 H LEU A 108 -5.120 5.550 10.609 1.00 22.55 H new ATOM 0 HA LEU A 108 -6.723 7.855 10.825 1.00 33.30 H new ATOM 0 HB2 LEU A 108 -6.111 5.672 12.841 1.00 61.52 H new ATOM 0 HB3 LEU A 108 -7.435 6.814 12.956 1.00 61.52 H new ATOM 0 HG LEU A 108 -7.092 4.740 10.770 1.00 32.42 H new ATOM 0 HD11 LEU A 108 -9.012 3.632 11.846 1.00 24.52 H new ATOM 0 HD12 LEU A 108 -7.610 3.737 12.938 1.00 24.52 H new ATOM 0 HD13 LEU A 108 -8.982 4.852 13.141 1.00 24.52 H new ATOM 0 HD21 LEU A 108 -9.394 5.351 10.130 1.00 71.00 H new ATOM 0 HD22 LEU A 108 -9.387 6.641 11.356 1.00 71.00 H new ATOM 0 HD23 LEU A 108 -8.276 6.726 9.969 1.00 71.00 H new ATOM 1572 N LYS A 109 -4.079 7.744 12.768 1.00 2.20 N ATOM 1573 CA LYS A 109 -3.195 8.521 13.627 1.00 4.32 C ATOM 1574 C LYS A 109 -2.708 9.797 12.922 1.00 5.14 C ATOM 1575 O LYS A 109 -2.682 10.864 13.512 1.00 5.11 O ATOM 1576 CB LYS A 109 -1.991 7.662 14.056 1.00 21.03 C ATOM 1577 CG LYS A 109 -1.007 8.369 14.967 1.00 54.33 C ATOM 1578 CD LYS A 109 0.165 7.477 15.324 1.00 5.44 C ATOM 1579 CE LYS A 109 1.132 8.193 16.253 1.00 15.15 C ATOM 1580 NZ LYS A 109 2.272 7.334 16.626 1.00 30.52 N ATOM 0 H LYS A 109 -3.725 6.813 12.548 1.00 2.20 H new ATOM 0 HA LYS A 109 -3.759 8.820 14.510 1.00 4.32 H new ATOM 0 HB2 LYS A 109 -2.359 6.770 14.563 1.00 21.03 H new ATOM 0 HB3 LYS A 109 -1.464 7.327 13.163 1.00 21.03 H new ATOM 0 HG2 LYS A 109 -0.642 9.272 14.478 1.00 54.33 H new ATOM 0 HG3 LYS A 109 -1.516 8.684 15.878 1.00 54.33 H new ATOM 0 HD2 LYS A 109 -0.198 6.567 15.802 1.00 5.44 H new ATOM 0 HD3 LYS A 109 0.685 7.173 14.416 1.00 5.44 H new ATOM 0 HE2 LYS A 109 1.501 9.096 15.767 1.00 15.15 H new ATOM 0 HE3 LYS A 109 0.605 8.508 17.153 1.00 15.15 H new ATOM 0 HZ1 LYS A 109 2.909 7.858 17.260 1.00 30.52 H new ATOM 0 HZ2 LYS A 109 1.922 6.484 17.112 1.00 30.52 H new ATOM 0 HZ3 LYS A 109 2.790 7.054 15.769 1.00 30.52 H new ATOM 1594 N ASN A 110 -2.341 9.673 11.656 1.00 44.34 N ATOM 1595 CA ASN A 110 -1.806 10.820 10.891 1.00 13.42 C ATOM 1596 C ASN A 110 -2.895 11.599 10.160 1.00 11.31 C ATOM 1597 O ASN A 110 -2.624 12.632 9.555 1.00 51.24 O ATOM 1598 CB ASN A 110 -0.718 10.389 9.885 1.00 65.25 C ATOM 1599 CG ASN A 110 0.609 9.945 10.509 1.00 10.32 C ATOM 1600 OD1 ASN A 110 0.574 9.360 11.670 1.00 64.31 O flip ATOM 1601 ND2 ASN A 110 1.661 10.122 9.916 1.00 63.12 N flip ATOM 0 H ASN A 110 -2.398 8.802 11.128 1.00 44.34 H new ATOM 0 HA ASN A 110 -1.357 11.479 11.634 1.00 13.42 H new ATOM 0 HB2 ASN A 110 -1.109 9.570 9.281 1.00 65.25 H new ATOM 0 HB3 ASN A 110 -0.522 11.220 9.208 1.00 65.25 H new ATOM 0 HD21 ASN A 110 1.662 10.583 9.006 1.00 63.12 H new ATOM 0 HD22 ASN A 110 2.539 9.808 10.330 1.00 63.12 H new ATOM 1607 N GLY A 111 -4.110 11.109 10.204 1.00 5.45 N ATOM 1608 CA GLY A 111 -5.202 11.782 9.522 1.00 72.21 C ATOM 1609 C GLY A 111 -5.163 11.532 8.026 1.00 45.01 C ATOM 1610 O GLY A 111 -5.487 12.409 7.221 1.00 35.24 O ATOM 0 H GLY A 111 -4.372 10.256 10.698 1.00 5.45 H new ATOM 0 HA2 GLY A 111 -6.153 11.434 9.925 1.00 72.21 H new ATOM 0 HA3 GLY A 111 -5.147 12.853 9.714 1.00 72.21 H new ATOM 1614 N VAL A 112 -4.750 10.346 7.668 1.00 73.11 N ATOM 1615 CA VAL A 112 -4.640 9.923 6.292 1.00 12.14 C ATOM 1616 C VAL A 112 -5.821 9.027 5.954 1.00 15.12 C ATOM 1617 O VAL A 112 -6.020 7.999 6.583 1.00 12.22 O ATOM 1618 CB VAL A 112 -3.291 9.162 6.047 1.00 11.13 C ATOM 1619 CG1 VAL A 112 -3.198 8.647 4.619 1.00 33.30 C ATOM 1620 CG2 VAL A 112 -2.124 10.086 6.333 1.00 74.30 C ATOM 0 H VAL A 112 -4.474 9.628 8.338 1.00 73.11 H new ATOM 0 HA VAL A 112 -4.648 10.801 5.646 1.00 12.14 H new ATOM 0 HB VAL A 112 -3.258 8.305 6.720 1.00 11.13 H new ATOM 0 HG11 VAL A 112 -2.251 8.124 4.482 1.00 33.30 H new ATOM 0 HG12 VAL A 112 -4.023 7.961 4.425 1.00 33.30 H new ATOM 0 HG13 VAL A 112 -3.253 9.486 3.925 1.00 33.30 H new ATOM 0 HG21 VAL A 112 -1.188 9.554 6.162 1.00 74.30 H new ATOM 0 HG22 VAL A 112 -2.175 10.952 5.673 1.00 74.30 H new ATOM 0 HG23 VAL A 112 -2.168 10.418 7.370 1.00 74.30 H new ATOM 1626 N THR A 113 -6.611 9.433 4.995 1.00 53.45 N ATOM 1627 CA THR A 113 -7.773 8.666 4.604 1.00 31.33 C ATOM 1628 C THR A 113 -7.782 8.369 3.107 1.00 23.33 C ATOM 1629 O THR A 113 -8.776 7.896 2.563 1.00 43.53 O ATOM 1630 CB THR A 113 -9.089 9.369 5.037 1.00 65.42 C ATOM 1631 OG1 THR A 113 -9.070 10.751 4.637 1.00 23.52 O ATOM 1632 CG2 THR A 113 -9.299 9.273 6.544 1.00 3.22 C ATOM 0 H THR A 113 -6.473 10.294 4.466 1.00 53.45 H new ATOM 0 HA THR A 113 -7.713 7.711 5.127 1.00 31.33 H new ATOM 0 HB THR A 113 -9.916 8.860 4.543 1.00 65.42 H new ATOM 0 HG1 THR A 113 -9.905 11.183 4.914 1.00 23.52 H new ATOM 0 HG21 THR A 113 -10.228 9.774 6.815 1.00 3.22 H new ATOM 0 HG22 THR A 113 -9.354 8.225 6.838 1.00 3.22 H new ATOM 0 HG23 THR A 113 -8.466 9.751 7.059 1.00 3.22 H new ATOM 1638 N ASP A 114 -6.664 8.617 2.459 1.00 53.44 N ATOM 1639 CA ASP A 114 -6.533 8.371 1.027 1.00 32.42 C ATOM 1640 C ASP A 114 -5.448 7.349 0.812 1.00 13.14 C ATOM 1641 O ASP A 114 -4.265 7.626 1.070 1.00 73.44 O ATOM 1642 CB ASP A 114 -6.173 9.653 0.271 1.00 32.32 C ATOM 1643 CG ASP A 114 -7.172 10.762 0.443 1.00 11.02 C ATOM 1644 OD1 ASP A 114 -8.142 10.841 -0.343 1.00 13.21 O ATOM 1645 OD2 ASP A 114 -6.998 11.597 1.367 1.00 43.30 O ATOM 0 H ASP A 114 -5.824 8.992 2.899 1.00 53.44 H new ATOM 0 HA ASP A 114 -7.488 8.010 0.646 1.00 32.42 H new ATOM 0 HB2 ASP A 114 -5.197 10.001 0.609 1.00 32.32 H new ATOM 0 HB3 ASP A 114 -6.079 9.423 -0.790 1.00 32.32 H new ATOM 1650 N LEU A 115 -5.815 6.179 0.361 1.00 1.12 N ATOM 1651 CA LEU A 115 -4.855 5.121 0.218 1.00 24.20 C ATOM 1652 C LEU A 115 -4.886 4.606 -1.230 1.00 31.54 C ATOM 1653 O LEU A 115 -5.940 4.210 -1.738 1.00 54.34 O ATOM 1654 CB LEU A 115 -5.243 3.979 1.180 1.00 4.54 C ATOM 1655 CG LEU A 115 -4.131 3.035 1.693 1.00 44.13 C ATOM 1656 CD1 LEU A 115 -3.329 2.419 0.579 1.00 31.41 C ATOM 1657 CD2 LEU A 115 -3.236 3.737 2.692 1.00 63.33 C ATOM 0 H LEU A 115 -6.767 5.937 0.088 1.00 1.12 H new ATOM 0 HA LEU A 115 -3.853 5.482 0.451 1.00 24.20 H new ATOM 0 HB2 LEU A 115 -5.724 4.427 2.049 1.00 4.54 H new ATOM 0 HB3 LEU A 115 -5.994 3.366 0.681 1.00 4.54 H new ATOM 0 HG LEU A 115 -4.632 2.212 2.203 1.00 44.13 H new ATOM 0 HD11 LEU A 115 -2.564 1.766 0.999 1.00 31.41 H new ATOM 0 HD12 LEU A 115 -3.988 1.837 -0.065 1.00 31.41 H new ATOM 0 HD13 LEU A 115 -2.853 3.207 -0.005 1.00 31.41 H new ATOM 0 HD21 LEU A 115 -2.464 3.049 3.035 1.00 63.33 H new ATOM 0 HD22 LEU A 115 -2.768 4.600 2.218 1.00 63.33 H new ATOM 0 HD23 LEU A 115 -3.831 4.069 3.543 1.00 63.33 H new ATOM 1665 N SER A 116 -3.750 4.598 -1.863 1.00 71.24 N ATOM 1666 CA SER A 116 -3.613 4.094 -3.195 1.00 3.14 C ATOM 1667 C SER A 116 -2.642 2.913 -3.203 1.00 0.24 C ATOM 1668 O SER A 116 -1.514 3.014 -2.704 1.00 53.32 O ATOM 1669 CB SER A 116 -3.149 5.218 -4.131 1.00 64.51 C ATOM 1670 OG SER A 116 -1.972 5.848 -3.647 1.00 61.23 O ATOM 0 H SER A 116 -2.880 4.947 -1.461 1.00 71.24 H new ATOM 0 HA SER A 116 -4.577 3.736 -3.557 1.00 3.14 H new ATOM 0 HB2 SER A 116 -2.962 4.811 -5.125 1.00 64.51 H new ATOM 0 HB3 SER A 116 -3.943 5.958 -4.234 1.00 64.51 H new ATOM 0 HG SER A 116 -1.770 5.516 -2.747 1.00 61.23 H new ATOM 1676 N MET A 117 -3.079 1.808 -3.733 1.00 2.33 N ATOM 1677 CA MET A 117 -2.271 0.611 -3.783 1.00 3.12 C ATOM 1678 C MET A 117 -2.574 -0.117 -5.089 1.00 1.43 C ATOM 1679 O MET A 117 -3.544 0.216 -5.753 1.00 62.13 O ATOM 1680 CB MET A 117 -2.596 -0.310 -2.574 1.00 0.24 C ATOM 1681 CG MET A 117 -4.025 -0.833 -2.560 1.00 63.21 C ATOM 1682 SD MET A 117 -4.374 -1.985 -1.202 1.00 41.04 S ATOM 1683 CE MET A 117 -4.071 -0.966 0.238 1.00 61.43 C ATOM 0 H MET A 117 -4.006 1.705 -4.145 1.00 2.33 H new ATOM 0 HA MET A 117 -1.214 0.875 -3.735 1.00 3.12 H new ATOM 0 HB2 MET A 117 -1.910 -1.157 -2.581 1.00 0.24 H new ATOM 0 HB3 MET A 117 -2.413 0.241 -1.651 1.00 0.24 H new ATOM 0 HG2 MET A 117 -4.710 0.012 -2.491 1.00 63.21 H new ATOM 0 HG3 MET A 117 -4.228 -1.332 -3.508 1.00 63.21 H new ATOM 0 HE1 MET A 117 -4.197 -1.565 1.140 1.00 61.43 H new ATOM 0 HE2 MET A 117 -3.054 -0.576 0.200 1.00 61.43 H new ATOM 0 HE3 MET A 117 -4.778 -0.136 0.252 1.00 61.43 H new ATOM 1693 N PRO A 118 -1.746 -1.071 -5.504 1.00 3.21 N ATOM 1694 CA PRO A 118 -2.032 -1.888 -6.660 1.00 72.31 C ATOM 1695 C PRO A 118 -2.645 -3.202 -6.178 1.00 44.04 C ATOM 1696 O PRO A 118 -3.167 -3.272 -5.056 1.00 42.01 O ATOM 1697 CB PRO A 118 -0.626 -2.140 -7.202 1.00 31.50 C ATOM 1698 CG PRO A 118 0.222 -2.271 -5.970 1.00 51.32 C ATOM 1699 CD PRO A 118 -0.449 -1.438 -4.897 1.00 53.41 C ATOM 0 HA PRO A 118 -2.716 -1.450 -7.386 1.00 72.31 H new ATOM 0 HB2 PRO A 118 -0.589 -3.044 -7.810 1.00 31.50 H new ATOM 0 HB3 PRO A 118 -0.288 -1.318 -7.833 1.00 31.50 H new ATOM 0 HG2 PRO A 118 0.299 -3.313 -5.661 1.00 51.32 H new ATOM 0 HG3 PRO A 118 1.236 -1.918 -6.158 1.00 51.32 H new ATOM 0 HD2 PRO A 118 -0.583 -2.004 -3.975 1.00 53.41 H new ATOM 0 HD3 PRO A 118 0.141 -0.556 -4.647 1.00 53.41 H new ATOM 1707 N ARG A 119 -2.608 -4.228 -6.987 1.00 5.52 N ATOM 1708 CA ARG A 119 -3.000 -5.522 -6.486 1.00 2.52 C ATOM 1709 C ARG A 119 -1.858 -6.020 -5.593 1.00 54.43 C ATOM 1710 O ARG A 119 -0.819 -6.434 -6.094 1.00 21.10 O ATOM 1711 CB ARG A 119 -3.260 -6.546 -7.614 1.00 41.43 C ATOM 1712 CG ARG A 119 -4.360 -6.184 -8.619 1.00 42.42 C ATOM 1713 CD ARG A 119 -4.537 -7.323 -9.634 1.00 42.31 C ATOM 1714 NE ARG A 119 -5.444 -6.997 -10.738 1.00 63.11 N ATOM 1715 CZ ARG A 119 -6.131 -7.888 -11.486 1.00 2.10 C ATOM 1716 NH1 ARG A 119 -6.061 -9.203 -11.222 1.00 55.04 N ATOM 1717 NH2 ARG A 119 -6.872 -7.462 -12.505 1.00 64.31 N ATOM 0 H ARG A 119 -2.320 -4.200 -7.965 1.00 5.52 H new ATOM 0 HA ARG A 119 -3.938 -5.423 -5.939 1.00 2.52 H new ATOM 0 HB2 ARG A 119 -2.330 -6.694 -8.163 1.00 41.43 H new ATOM 0 HB3 ARG A 119 -3.515 -7.502 -7.156 1.00 41.43 H new ATOM 0 HG2 ARG A 119 -5.298 -6.003 -8.095 1.00 42.42 H new ATOM 0 HG3 ARG A 119 -4.102 -5.261 -9.137 1.00 42.42 H new ATOM 0 HD2 ARG A 119 -3.562 -7.587 -10.043 1.00 42.31 H new ATOM 0 HD3 ARG A 119 -4.914 -8.204 -9.115 1.00 42.31 H new ATOM 0 HE ARG A 119 -5.568 -6.010 -10.962 1.00 63.11 H new ATOM 0 HH11 ARG A 119 -5.485 -9.538 -10.450 1.00 55.04 H new ATOM 0 HH12 ARG A 119 -6.584 -9.866 -11.793 1.00 55.04 H new ATOM 0 HH21 ARG A 119 -6.920 -6.466 -12.719 1.00 64.31 H new ATOM 0 HH22 ARG A 119 -7.392 -8.131 -13.072 1.00 64.31 H new ATOM 1729 N ILE A 120 -2.026 -5.912 -4.276 1.00 2.23 N ATOM 1730 CA ILE A 120 -0.989 -6.365 -3.324 1.00 72.30 C ATOM 1731 C ILE A 120 -1.143 -7.835 -3.001 1.00 54.22 C ATOM 1732 O ILE A 120 -0.569 -8.351 -2.047 1.00 3.04 O ATOM 1733 CB ILE A 120 -0.924 -5.515 -2.018 1.00 23.12 C ATOM 1734 CG1 ILE A 120 -2.254 -5.540 -1.250 1.00 55.21 C ATOM 1735 CG2 ILE A 120 -0.526 -4.087 -2.345 1.00 31.13 C ATOM 1736 CD1 ILE A 120 -2.207 -4.814 0.082 1.00 22.24 C ATOM 0 H ILE A 120 -2.859 -5.520 -3.838 1.00 2.23 H new ATOM 0 HA ILE A 120 -0.037 -6.215 -3.833 1.00 72.30 H new ATOM 0 HB ILE A 120 -0.168 -5.959 -1.371 1.00 23.12 H new ATOM 0 HG12 ILE A 120 -3.029 -5.091 -1.871 1.00 55.21 H new ATOM 0 HG13 ILE A 120 -2.544 -6.577 -1.078 1.00 55.21 H new ATOM 0 HG21 ILE A 120 -0.483 -3.502 -1.426 1.00 31.13 H new ATOM 0 HG22 ILE A 120 0.453 -4.083 -2.824 1.00 31.13 H new ATOM 0 HG23 ILE A 120 -1.262 -3.650 -3.020 1.00 31.13 H new ATOM 0 HD11 ILE A 120 -3.182 -4.875 0.564 1.00 22.24 H new ATOM 0 HD12 ILE A 120 -1.456 -5.277 0.722 1.00 22.24 H new ATOM 0 HD13 ILE A 120 -1.949 -3.768 -0.083 1.00 22.24 H new ATOM 1743 N GLY A 121 -1.888 -8.480 -3.825 1.00 75.55 N ATOM 1744 CA GLY A 121 -2.052 -9.867 -3.764 1.00 60.33 C ATOM 1745 C GLY A 121 -1.840 -10.405 -5.132 1.00 63.12 C ATOM 1746 O GLY A 121 -2.236 -9.749 -6.111 1.00 15.31 O ATOM 0 H GLY A 121 -2.411 -8.034 -4.578 1.00 75.55 H new ATOM 0 HA2 GLY A 121 -1.340 -10.306 -3.065 1.00 60.33 H new ATOM 0 HA3 GLY A 121 -3.049 -10.119 -3.404 1.00 60.33 H new ATOM 1750 N CYS A 122 -1.173 -11.538 -5.211 1.00 53.42 N ATOM 1751 CA CYS A 122 -0.888 -12.251 -6.454 1.00 73.00 C ATOM 1752 C CYS A 122 0.429 -11.859 -7.105 1.00 10.14 C ATOM 1753 O CYS A 122 0.734 -12.294 -8.227 1.00 10.23 O ATOM 1754 CB CYS A 122 -2.065 -12.272 -7.442 1.00 5.14 C ATOM 1755 SG CYS A 122 -3.515 -13.133 -6.807 1.00 62.20 S ATOM 0 H CYS A 122 -0.799 -12.010 -4.388 1.00 53.42 H new ATOM 0 HA CYS A 122 -0.754 -13.287 -6.142 1.00 73.00 H new ATOM 0 HB2 CYS A 122 -2.340 -11.247 -7.690 1.00 5.14 H new ATOM 0 HB3 CYS A 122 -1.744 -12.749 -8.368 1.00 5.14 H new ATOM 0 HG CYS A 122 -3.201 -13.764 -5.714 1.00 62.20 H new ATOM 1761 N GLY A 123 1.229 -11.090 -6.407 1.00 34.45 N ATOM 1762 CA GLY A 123 2.550 -10.794 -6.886 1.00 72.04 C ATOM 1763 C GLY A 123 3.531 -11.822 -6.338 1.00 42.42 C ATOM 1764 O GLY A 123 3.270 -13.037 -6.389 1.00 42.50 O ATOM 0 H GLY A 123 0.988 -10.662 -5.513 1.00 34.45 H new ATOM 0 HA2 GLY A 123 2.565 -10.807 -7.976 1.00 72.04 H new ATOM 0 HA3 GLY A 123 2.845 -9.792 -6.575 1.00 72.04 H new ATOM 1768 N LEU A 124 4.653 -11.362 -5.822 1.00 51.21 N ATOM 1769 CA LEU A 124 5.638 -12.248 -5.177 1.00 14.21 C ATOM 1770 C LEU A 124 5.108 -12.757 -3.831 1.00 0.20 C ATOM 1771 O LEU A 124 5.616 -13.720 -3.275 1.00 32.52 O ATOM 1772 CB LEU A 124 7.029 -11.586 -5.004 1.00 34.12 C ATOM 1773 CG LEU A 124 7.843 -11.244 -6.277 1.00 62.31 C ATOM 1774 CD1 LEU A 124 7.164 -10.191 -7.143 1.00 5.24 C ATOM 1775 CD2 LEU A 124 9.246 -10.801 -5.897 1.00 42.33 C ATOM 0 H LEU A 124 4.918 -10.377 -5.830 1.00 51.21 H new ATOM 0 HA LEU A 124 5.780 -13.095 -5.848 1.00 14.21 H new ATOM 0 HB2 LEU A 124 6.890 -10.663 -4.440 1.00 34.12 H new ATOM 0 HB3 LEU A 124 7.638 -12.248 -4.388 1.00 34.12 H new ATOM 0 HG LEU A 124 7.900 -12.152 -6.877 1.00 62.31 H new ATOM 0 HD11 LEU A 124 7.778 -9.990 -8.021 1.00 5.24 H new ATOM 0 HD12 LEU A 124 6.187 -10.555 -7.460 1.00 5.24 H new ATOM 0 HD13 LEU A 124 7.040 -9.273 -6.569 1.00 5.24 H new ATOM 0 HD21 LEU A 124 9.809 -10.563 -6.799 1.00 42.33 H new ATOM 0 HD22 LEU A 124 9.189 -9.917 -5.261 1.00 42.33 H new ATOM 0 HD23 LEU A 124 9.748 -11.604 -5.357 1.00 42.33 H new ATOM 1783 N ASP A 125 4.071 -12.072 -3.335 1.00 34.13 N ATOM 1784 CA ASP A 125 3.396 -12.357 -2.046 1.00 71.00 C ATOM 1785 C ASP A 125 2.834 -13.782 -1.954 1.00 32.45 C ATOM 1786 O ASP A 125 2.568 -14.262 -0.863 1.00 54.31 O ATOM 1787 CB ASP A 125 2.267 -11.346 -1.814 1.00 62.33 C ATOM 1788 CG ASP A 125 1.311 -11.288 -2.986 1.00 60.01 C ATOM 1789 OD1 ASP A 125 0.404 -12.147 -3.092 1.00 4.04 O ATOM 1790 OD2 ASP A 125 1.502 -10.408 -3.852 1.00 61.11 O ATOM 0 H ASP A 125 3.660 -11.279 -3.828 1.00 34.13 H new ATOM 0 HA ASP A 125 4.158 -12.266 -1.272 1.00 71.00 H new ATOM 0 HB2 ASP A 125 1.719 -11.615 -0.911 1.00 62.33 H new ATOM 0 HB3 ASP A 125 2.694 -10.358 -1.645 1.00 62.33 H new ATOM 1795 N ARG A 126 2.641 -14.434 -3.115 1.00 44.41 N ATOM 1796 CA ARG A 126 2.173 -15.845 -3.212 1.00 5.21 C ATOM 1797 C ARG A 126 0.688 -15.976 -2.810 1.00 63.42 C ATOM 1798 O ARG A 126 0.163 -17.092 -2.694 1.00 33.44 O ATOM 1799 CB ARG A 126 3.006 -16.790 -2.291 1.00 53.24 C ATOM 1800 CG ARG A 126 4.525 -16.688 -2.412 1.00 1.23 C ATOM 1801 CD ARG A 126 5.047 -17.079 -3.771 1.00 33.51 C ATOM 1802 NE ARG A 126 6.509 -16.926 -3.826 1.00 32.24 N ATOM 1803 CZ ARG A 126 7.318 -17.502 -4.715 1.00 53.32 C ATOM 1804 NH1 ARG A 126 6.832 -18.339 -5.624 1.00 11.34 N ATOM 1805 NH2 ARG A 126 8.619 -17.254 -4.676 1.00 21.41 N ATOM 0 H ARG A 126 2.804 -14.001 -4.024 1.00 44.41 H new ATOM 0 HA ARG A 126 2.303 -16.137 -4.254 1.00 5.21 H new ATOM 0 HB2 ARG A 126 2.731 -16.588 -1.256 1.00 53.24 H new ATOM 0 HB3 ARG A 126 2.714 -17.819 -2.503 1.00 53.24 H new ATOM 0 HG2 ARG A 126 4.831 -15.665 -2.195 1.00 1.23 H new ATOM 0 HG3 ARG A 126 4.985 -17.326 -1.657 1.00 1.23 H new ATOM 0 HD2 ARG A 126 4.775 -18.112 -3.988 1.00 33.51 H new ATOM 0 HD3 ARG A 126 4.582 -16.459 -4.538 1.00 33.51 H new ATOM 0 HE ARG A 126 6.941 -16.327 -3.123 1.00 32.24 H new ATOM 0 HH11 ARG A 126 5.833 -18.545 -5.645 1.00 11.34 H new ATOM 0 HH12 ARG A 126 7.457 -18.776 -6.301 1.00 11.34 H new ATOM 0 HH21 ARG A 126 8.997 -16.625 -3.968 1.00 21.41 H new ATOM 0 HH22 ARG A 126 9.242 -17.692 -5.354 1.00 21.41 H new ATOM 1817 N LEU A 127 0.012 -14.863 -2.626 1.00 43.43 N ATOM 1818 CA LEU A 127 -1.351 -14.888 -2.137 1.00 12.15 C ATOM 1819 C LEU A 127 -2.364 -14.669 -3.256 1.00 1.32 C ATOM 1820 O LEU A 127 -2.013 -14.289 -4.372 1.00 51.14 O ATOM 1821 CB LEU A 127 -1.532 -13.825 -1.044 1.00 61.43 C ATOM 1822 CG LEU A 127 -0.611 -13.952 0.180 1.00 64.25 C ATOM 1823 CD1 LEU A 127 -0.858 -12.820 1.157 1.00 71.21 C ATOM 1824 CD2 LEU A 127 -0.804 -15.293 0.865 1.00 4.23 C ATOM 0 H LEU A 127 0.382 -13.930 -2.807 1.00 43.43 H new ATOM 0 HA LEU A 127 -1.536 -15.878 -1.720 1.00 12.15 H new ATOM 0 HB2 LEU A 127 -1.376 -12.843 -1.491 1.00 61.43 H new ATOM 0 HB3 LEU A 127 -2.566 -13.858 -0.701 1.00 61.43 H new ATOM 0 HG LEU A 127 0.420 -13.890 -0.167 1.00 64.25 H new ATOM 0 HD11 LEU A 127 -0.196 -12.929 2.016 1.00 71.21 H new ATOM 0 HD12 LEU A 127 -0.662 -11.867 0.666 1.00 71.21 H new ATOM 0 HD13 LEU A 127 -1.895 -12.849 1.492 1.00 71.21 H new ATOM 0 HD21 LEU A 127 -0.142 -15.359 1.728 1.00 4.23 H new ATOM 0 HD22 LEU A 127 -1.839 -15.388 1.194 1.00 4.23 H new ATOM 0 HD23 LEU A 127 -0.570 -16.096 0.166 1.00 4.23 H new ATOM 1832 N GLN A 128 -3.615 -14.948 -2.960 1.00 42.21 N ATOM 1833 CA GLN A 128 -4.711 -14.718 -3.888 1.00 12.50 C ATOM 1834 C GLN A 128 -5.386 -13.403 -3.547 1.00 61.04 C ATOM 1835 O GLN A 128 -5.710 -13.156 -2.373 1.00 33.20 O ATOM 1836 CB GLN A 128 -5.747 -15.843 -3.827 1.00 42.03 C ATOM 1837 CG GLN A 128 -5.334 -17.203 -4.392 1.00 21.53 C ATOM 1838 CD GLN A 128 -4.110 -17.836 -3.727 1.00 5.50 C ATOM 1839 OE1 GLN A 128 -2.971 -17.639 -4.172 1.00 1.14 O ATOM 1840 NE2 GLN A 128 -4.331 -18.585 -2.671 1.00 24.43 N ATOM 0 H GLN A 128 -3.906 -15.343 -2.066 1.00 42.21 H new ATOM 0 HA GLN A 128 -4.299 -14.689 -4.897 1.00 12.50 H new ATOM 0 HB2 GLN A 128 -6.033 -15.983 -2.785 1.00 42.03 H new ATOM 0 HB3 GLN A 128 -6.638 -15.512 -4.361 1.00 42.03 H new ATOM 0 HG2 GLN A 128 -6.175 -17.889 -4.297 1.00 21.53 H new ATOM 0 HG3 GLN A 128 -5.132 -17.091 -5.457 1.00 21.53 H new ATOM 0 HE21 GLN A 128 -5.284 -18.724 -2.334 1.00 24.43 H new ATOM 0 HE22 GLN A 128 -3.550 -19.028 -2.187 1.00 24.43 H new ATOM 1848 N TRP A 129 -5.627 -12.588 -4.551 1.00 23.11 N ATOM 1849 CA TRP A 129 -6.193 -11.258 -4.364 1.00 44.30 C ATOM 1850 C TRP A 129 -7.593 -11.270 -3.804 1.00 21.13 C ATOM 1851 O TRP A 129 -7.918 -10.408 -3.002 1.00 5.22 O ATOM 1852 CB TRP A 129 -6.066 -10.374 -5.632 1.00 14.30 C ATOM 1853 CG TRP A 129 -6.745 -9.038 -5.497 1.00 63.54 C ATOM 1854 CD1 TRP A 129 -7.914 -8.650 -6.083 1.00 53.34 C ATOM 1855 CD2 TRP A 129 -6.315 -7.935 -4.701 1.00 12.22 C ATOM 1856 NE1 TRP A 129 -8.233 -7.376 -5.696 1.00 52.11 N ATOM 1857 CE2 TRP A 129 -7.270 -6.914 -4.846 1.00 13.24 C ATOM 1858 CE3 TRP A 129 -5.223 -7.717 -3.877 1.00 73.11 C ATOM 1859 CZ2 TRP A 129 -7.158 -5.690 -4.194 1.00 31.11 C ATOM 1860 CZ3 TRP A 129 -5.110 -6.507 -3.233 1.00 75.31 C ATOM 1861 CH2 TRP A 129 -6.073 -5.508 -3.389 1.00 52.45 C ATOM 0 H TRP A 129 -5.437 -12.824 -5.525 1.00 23.11 H new ATOM 0 HA TRP A 129 -5.580 -10.789 -3.595 1.00 44.30 H new ATOM 0 HB2 TRP A 129 -5.010 -10.216 -5.852 1.00 14.30 H new ATOM 0 HB3 TRP A 129 -6.493 -10.906 -6.482 1.00 14.30 H new ATOM 0 HD1 TRP A 129 -8.502 -9.259 -6.754 1.00 53.34 H new ATOM 0 HE1 TRP A 129 -9.058 -6.856 -5.995 1.00 52.11 H new ATOM 0 HE3 TRP A 129 -4.474 -8.483 -3.743 1.00 73.11 H new ATOM 0 HZ2 TRP A 129 -7.900 -4.916 -4.320 1.00 31.11 H new ATOM 0 HZ3 TRP A 129 -4.259 -6.326 -2.593 1.00 75.31 H new ATOM 0 HH2 TRP A 129 -5.956 -4.573 -2.862 1.00 52.45 H new ATOM 1872 N GLU A 130 -8.401 -12.242 -4.185 1.00 3.52 N ATOM 1873 CA GLU A 130 -9.771 -12.326 -3.675 1.00 13.42 C ATOM 1874 C GLU A 130 -9.779 -12.317 -2.148 1.00 13.52 C ATOM 1875 O GLU A 130 -10.507 -11.549 -1.524 1.00 24.01 O ATOM 1876 CB GLU A 130 -10.466 -13.578 -4.186 1.00 45.23 C ATOM 1877 CG GLU A 130 -10.531 -13.669 -5.693 1.00 62.24 C ATOM 1878 CD GLU A 130 -11.268 -14.885 -6.156 1.00 62.24 C ATOM 1879 OE1 GLU A 130 -10.644 -15.967 -6.280 1.00 44.32 O ATOM 1880 OE2 GLU A 130 -12.478 -14.781 -6.416 1.00 71.12 O ATOM 0 H GLU A 130 -8.143 -12.981 -4.839 1.00 3.52 H new ATOM 0 HA GLU A 130 -10.314 -11.453 -4.037 1.00 13.42 H new ATOM 0 HB2 GLU A 130 -9.945 -14.454 -3.801 1.00 45.23 H new ATOM 0 HB3 GLU A 130 -11.479 -13.609 -3.786 1.00 45.23 H new ATOM 0 HG2 GLU A 130 -11.020 -12.778 -6.088 1.00 62.24 H new ATOM 0 HG3 GLU A 130 -9.519 -13.684 -6.098 1.00 62.24 H new ATOM 1887 N ASN A 131 -8.917 -13.134 -1.559 1.00 71.24 N ATOM 1888 CA ASN A 131 -8.836 -13.231 -0.098 1.00 1.24 C ATOM 1889 C ASN A 131 -8.211 -11.972 0.485 1.00 12.20 C ATOM 1890 O ASN A 131 -8.655 -11.476 1.509 1.00 22.33 O ATOM 1891 CB ASN A 131 -7.998 -14.427 0.332 1.00 22.45 C ATOM 1892 CG ASN A 131 -8.442 -15.715 -0.281 1.00 22.42 C ATOM 1893 OD1 ASN A 131 -7.872 -16.019 -1.421 1.00 5.23 O flip ATOM 1894 ND2 ASN A 131 -9.277 -16.430 0.261 1.00 44.34 N flip ATOM 0 H ASN A 131 -8.266 -13.738 -2.061 1.00 71.24 H new ATOM 0 HA ASN A 131 -9.854 -13.352 0.273 1.00 1.24 H new ATOM 0 HB2 ASN A 131 -6.957 -14.246 0.065 1.00 22.45 H new ATOM 0 HB3 ASN A 131 -8.038 -14.517 1.418 1.00 22.45 H new ATOM 0 HD21 ASN A 131 -9.691 -16.147 1.149 1.00 44.34 H new ATOM 0 HD22 ASN A 131 -9.558 -17.308 -0.176 1.00 44.34 H new ATOM 1900 N VAL A 132 -7.168 -11.460 -0.185 1.00 14.22 N ATOM 1901 CA VAL A 132 -6.476 -10.249 0.270 1.00 74.34 C ATOM 1902 C VAL A 132 -7.443 -9.076 0.318 1.00 3.40 C ATOM 1903 O VAL A 132 -7.620 -8.456 1.356 1.00 64.12 O ATOM 1904 CB VAL A 132 -5.264 -9.879 -0.645 1.00 2.42 C ATOM 1905 CG1 VAL A 132 -4.608 -8.587 -0.180 1.00 53.43 C ATOM 1906 CG2 VAL A 132 -4.238 -10.993 -0.672 1.00 20.02 C ATOM 0 H VAL A 132 -6.788 -11.865 -1.040 1.00 14.22 H new ATOM 0 HA VAL A 132 -6.092 -10.460 1.268 1.00 74.34 H new ATOM 0 HB VAL A 132 -5.649 -9.737 -1.655 1.00 2.42 H new ATOM 0 HG11 VAL A 132 -3.767 -8.351 -0.832 1.00 53.43 H new ATOM 0 HG12 VAL A 132 -5.335 -7.776 -0.217 1.00 53.43 H new ATOM 0 HG13 VAL A 132 -4.251 -8.708 0.843 1.00 53.43 H new ATOM 0 HG21 VAL A 132 -3.407 -10.707 -1.317 1.00 20.02 H new ATOM 0 HG22 VAL A 132 -3.869 -11.172 0.338 1.00 20.02 H new ATOM 0 HG23 VAL A 132 -4.699 -11.903 -1.057 1.00 20.02 H new ATOM 1912 N SER A 133 -8.081 -8.826 -0.804 1.00 14.33 N ATOM 1913 CA SER A 133 -9.029 -7.751 -0.966 1.00 63.13 C ATOM 1914 C SER A 133 -10.144 -7.836 0.074 1.00 24.32 C ATOM 1915 O SER A 133 -10.421 -6.859 0.783 1.00 64.03 O ATOM 1916 CB SER A 133 -9.583 -7.801 -2.398 1.00 1.04 C ATOM 1917 OG SER A 133 -10.642 -6.880 -2.613 1.00 11.25 O ATOM 0 H SER A 133 -7.950 -9.381 -1.650 1.00 14.33 H new ATOM 0 HA SER A 133 -8.531 -6.794 -0.807 1.00 63.13 H new ATOM 0 HB2 SER A 133 -8.777 -7.591 -3.101 1.00 1.04 H new ATOM 0 HB3 SER A 133 -9.937 -8.810 -2.610 1.00 1.04 H new ATOM 0 HG SER A 133 -10.955 -6.952 -3.539 1.00 11.25 H new ATOM 1923 N ALA A 134 -10.742 -9.013 0.198 1.00 11.10 N ATOM 1924 CA ALA A 134 -11.821 -9.223 1.141 1.00 21.10 C ATOM 1925 C ALA A 134 -11.350 -9.016 2.580 1.00 74.03 C ATOM 1926 O ALA A 134 -12.110 -8.568 3.430 1.00 13.34 O ATOM 1927 CB ALA A 134 -12.420 -10.610 0.968 1.00 23.33 C ATOM 0 H ALA A 134 -10.493 -9.838 -0.348 1.00 11.10 H new ATOM 0 HA ALA A 134 -12.594 -8.483 0.934 1.00 21.10 H new ATOM 0 HB1 ALA A 134 -13.229 -10.749 1.685 1.00 23.33 H new ATOM 0 HB2 ALA A 134 -12.811 -10.714 -0.044 1.00 23.33 H new ATOM 0 HB3 ALA A 134 -11.650 -11.363 1.139 1.00 23.33 H new ATOM 1933 N MET A 135 -10.097 -9.330 2.845 1.00 1.33 N ATOM 1934 CA MET A 135 -9.545 -9.178 4.179 1.00 10.32 C ATOM 1935 C MET A 135 -9.258 -7.704 4.472 1.00 1.33 C ATOM 1936 O MET A 135 -9.497 -7.232 5.582 1.00 73.25 O ATOM 1937 CB MET A 135 -8.293 -10.044 4.352 1.00 11.33 C ATOM 1938 CG MET A 135 -7.716 -10.044 5.761 1.00 63.13 C ATOM 1939 SD MET A 135 -6.323 -11.185 5.945 1.00 34.32 S ATOM 1940 CE MET A 135 -5.137 -10.483 4.809 1.00 31.24 C ATOM 0 H MET A 135 -9.440 -9.693 2.154 1.00 1.33 H new ATOM 0 HA MET A 135 -10.282 -9.524 4.904 1.00 10.32 H new ATOM 0 HB2 MET A 135 -8.534 -11.069 4.072 1.00 11.33 H new ATOM 0 HB3 MET A 135 -7.527 -9.696 3.659 1.00 11.33 H new ATOM 0 HG2 MET A 135 -7.390 -9.035 6.016 1.00 63.13 H new ATOM 0 HG3 MET A 135 -8.499 -10.315 6.470 1.00 63.13 H new ATOM 0 HE1 MET A 135 -4.208 -11.051 4.856 1.00 31.24 H new ATOM 0 HE2 MET A 135 -5.536 -10.523 3.796 1.00 31.24 H new ATOM 0 HE3 MET A 135 -4.942 -9.446 5.081 1.00 31.24 H new ATOM 1950 N ILE A 136 -8.773 -6.978 3.460 1.00 61.45 N ATOM 1951 CA ILE A 136 -8.515 -5.548 3.571 1.00 22.05 C ATOM 1952 C ILE A 136 -9.811 -4.822 3.930 1.00 63.12 C ATOM 1953 O ILE A 136 -9.840 -3.978 4.833 1.00 10.50 O ATOM 1954 CB ILE A 136 -7.956 -4.970 2.237 1.00 42.44 C ATOM 1955 CG1 ILE A 136 -6.609 -5.607 1.883 1.00 13.14 C ATOM 1956 CG2 ILE A 136 -7.824 -3.459 2.314 1.00 51.42 C ATOM 1957 CD1 ILE A 136 -6.033 -5.136 0.563 1.00 41.15 C ATOM 0 H ILE A 136 -8.550 -7.369 2.545 1.00 61.45 H new ATOM 0 HA ILE A 136 -7.770 -5.397 4.352 1.00 22.05 H new ATOM 0 HB ILE A 136 -8.666 -5.213 1.447 1.00 42.44 H new ATOM 0 HG12 ILE A 136 -5.895 -5.389 2.678 1.00 13.14 H new ATOM 0 HG13 ILE A 136 -6.728 -6.690 1.850 1.00 13.14 H new ATOM 0 HG21 ILE A 136 -7.432 -3.079 1.371 1.00 51.42 H new ATOM 0 HG22 ILE A 136 -8.802 -3.018 2.504 1.00 51.42 H new ATOM 0 HG23 ILE A 136 -7.143 -3.194 3.123 1.00 51.42 H new ATOM 0 HD11 ILE A 136 -5.079 -5.633 0.384 1.00 41.15 H new ATOM 0 HD12 ILE A 136 -6.725 -5.379 -0.243 1.00 41.15 H new ATOM 0 HD13 ILE A 136 -5.880 -4.057 0.597 1.00 41.15 H new ATOM 1964 N GLU A 137 -10.881 -5.190 3.242 1.00 61.45 N ATOM 1965 CA GLU A 137 -12.189 -4.607 3.470 1.00 1.15 C ATOM 1966 C GLU A 137 -12.660 -4.794 4.906 1.00 12.53 C ATOM 1967 O GLU A 137 -13.287 -3.911 5.468 1.00 61.12 O ATOM 1968 CB GLU A 137 -13.208 -5.187 2.524 1.00 14.04 C ATOM 1969 CG GLU A 137 -12.964 -4.890 1.068 1.00 61.44 C ATOM 1970 CD GLU A 137 -14.077 -5.411 0.219 1.00 72.05 C ATOM 1971 OE1 GLU A 137 -15.148 -4.769 0.188 1.00 14.50 O ATOM 1972 OE2 GLU A 137 -13.930 -6.470 -0.401 1.00 3.44 O ATOM 0 H GLU A 137 -10.864 -5.901 2.511 1.00 61.45 H new ATOM 0 HA GLU A 137 -12.091 -3.537 3.284 1.00 1.15 H new ATOM 0 HB2 GLU A 137 -13.234 -6.268 2.660 1.00 14.04 H new ATOM 0 HB3 GLU A 137 -14.193 -4.808 2.797 1.00 14.04 H new ATOM 0 HG2 GLU A 137 -12.866 -3.814 0.925 1.00 61.44 H new ATOM 0 HG3 GLU A 137 -12.022 -5.340 0.755 1.00 61.44 H new ATOM 1979 N GLU A 138 -12.348 -5.936 5.487 1.00 54.22 N ATOM 1980 CA GLU A 138 -12.734 -6.229 6.863 1.00 12.24 C ATOM 1981 C GLU A 138 -11.973 -5.331 7.832 1.00 43.30 C ATOM 1982 O GLU A 138 -12.541 -4.807 8.792 1.00 72.31 O ATOM 1983 CB GLU A 138 -12.440 -7.692 7.195 1.00 55.34 C ATOM 1984 CG GLU A 138 -13.185 -8.694 6.334 1.00 70.14 C ATOM 1985 CD GLU A 138 -14.678 -8.602 6.489 1.00 41.30 C ATOM 1986 OE1 GLU A 138 -15.209 -9.177 7.455 1.00 0.21 O ATOM 1987 OE2 GLU A 138 -15.337 -7.969 5.647 1.00 4.23 O ATOM 0 H GLU A 138 -11.826 -6.683 5.029 1.00 54.22 H new ATOM 0 HA GLU A 138 -13.803 -6.042 6.964 1.00 12.24 H new ATOM 0 HB2 GLU A 138 -11.369 -7.867 7.090 1.00 55.34 H new ATOM 0 HB3 GLU A 138 -12.692 -7.872 8.240 1.00 55.34 H new ATOM 0 HG2 GLU A 138 -12.923 -8.533 5.288 1.00 70.14 H new ATOM 0 HG3 GLU A 138 -12.859 -9.701 6.593 1.00 70.14 H new ATOM 1994 N VAL A 139 -10.698 -5.150 7.553 1.00 51.04 N ATOM 1995 CA VAL A 139 -9.798 -4.360 8.382 1.00 43.12 C ATOM 1996 C VAL A 139 -10.151 -2.859 8.344 1.00 4.42 C ATOM 1997 O VAL A 139 -10.137 -2.172 9.373 1.00 33.41 O ATOM 1998 CB VAL A 139 -8.312 -4.582 7.930 1.00 22.13 C ATOM 1999 CG1 VAL A 139 -7.346 -3.714 8.711 1.00 1.40 C ATOM 2000 CG2 VAL A 139 -7.923 -6.044 8.074 1.00 3.24 C ATOM 0 H VAL A 139 -10.247 -5.552 6.732 1.00 51.04 H new ATOM 0 HA VAL A 139 -9.915 -4.698 9.412 1.00 43.12 H new ATOM 0 HB VAL A 139 -8.249 -4.293 6.881 1.00 22.13 H new ATOM 0 HG11 VAL A 139 -6.329 -3.900 8.366 1.00 1.40 H new ATOM 0 HG12 VAL A 139 -7.595 -2.664 8.558 1.00 1.40 H new ATOM 0 HG13 VAL A 139 -7.418 -3.953 9.772 1.00 1.40 H new ATOM 0 HG21 VAL A 139 -6.889 -6.178 7.756 1.00 3.24 H new ATOM 0 HG22 VAL A 139 -8.024 -6.346 9.116 1.00 3.24 H new ATOM 0 HG23 VAL A 139 -8.576 -6.657 7.453 1.00 3.24 H new ATOM 2006 N PHE A 140 -10.460 -2.364 7.171 1.00 53.33 N ATOM 2007 CA PHE A 140 -10.760 -0.946 6.988 1.00 51.54 C ATOM 2008 C PHE A 140 -12.264 -0.639 6.989 1.00 51.14 C ATOM 2009 O PHE A 140 -12.667 0.499 6.707 1.00 52.33 O ATOM 2010 CB PHE A 140 -10.109 -0.426 5.697 1.00 61.00 C ATOM 2011 CG PHE A 140 -8.597 -0.422 5.728 1.00 33.41 C ATOM 2012 CD1 PHE A 140 -7.870 -1.572 5.462 1.00 62.33 C ATOM 2013 CD2 PHE A 140 -7.910 0.739 6.025 1.00 34.51 C ATOM 2014 CE1 PHE A 140 -6.488 -1.561 5.493 1.00 72.51 C ATOM 2015 CE2 PHE A 140 -6.529 0.758 6.056 1.00 1.24 C ATOM 2016 CZ PHE A 140 -5.817 -0.393 5.789 1.00 52.42 C ATOM 0 H PHE A 140 -10.513 -2.918 6.316 1.00 53.33 H new ATOM 0 HA PHE A 140 -10.338 -0.426 7.848 1.00 51.54 H new ATOM 0 HB2 PHE A 140 -10.443 -1.040 4.861 1.00 61.00 H new ATOM 0 HB3 PHE A 140 -10.461 0.588 5.508 1.00 61.00 H new ATOM 0 HD1 PHE A 140 -8.390 -2.489 5.227 1.00 62.33 H new ATOM 0 HD2 PHE A 140 -8.460 1.644 6.236 1.00 34.51 H new ATOM 0 HE1 PHE A 140 -5.935 -2.465 5.286 1.00 72.51 H new ATOM 0 HE2 PHE A 140 -6.007 1.674 6.289 1.00 1.24 H new ATOM 0 HZ PHE A 140 -4.737 -0.380 5.812 1.00 52.42 H new ATOM 2026 N GLU A 141 -13.080 -1.618 7.354 1.00 2.21 N ATOM 2027 CA GLU A 141 -14.546 -1.480 7.295 1.00 24.15 C ATOM 2028 C GLU A 141 -15.064 -0.302 8.119 1.00 13.01 C ATOM 2029 O GLU A 141 -15.939 0.447 7.677 1.00 61.33 O ATOM 2030 CB GLU A 141 -15.235 -2.776 7.740 1.00 30.03 C ATOM 2031 CG GLU A 141 -16.756 -2.713 7.706 1.00 63.11 C ATOM 2032 CD GLU A 141 -17.402 -3.978 8.190 1.00 33.22 C ATOM 2033 OE1 GLU A 141 -17.444 -4.200 9.414 1.00 1.42 O ATOM 2034 OE2 GLU A 141 -17.877 -4.772 7.363 1.00 12.11 O ATOM 0 H GLU A 141 -12.759 -2.524 7.697 1.00 2.21 H new ATOM 0 HA GLU A 141 -14.794 -1.279 6.253 1.00 24.15 H new ATOM 0 HB2 GLU A 141 -14.901 -3.591 7.098 1.00 30.03 H new ATOM 0 HB3 GLU A 141 -14.914 -3.016 8.754 1.00 30.03 H new ATOM 0 HG2 GLU A 141 -17.094 -1.879 8.321 1.00 63.11 H new ATOM 0 HG3 GLU A 141 -17.084 -2.510 6.686 1.00 63.11 H new ATOM 2041 N ALA A 142 -14.498 -0.122 9.262 1.00 23.44 N ATOM 2042 CA ALA A 142 -14.942 0.907 10.188 1.00 64.10 C ATOM 2043 C ALA A 142 -14.115 2.180 10.076 1.00 32.32 C ATOM 2044 O ALA A 142 -14.112 3.008 10.988 1.00 4.12 O ATOM 2045 CB ALA A 142 -14.894 0.378 11.607 1.00 63.24 C ATOM 0 H ALA A 142 -13.711 -0.677 9.598 1.00 23.44 H new ATOM 0 HA ALA A 142 -15.968 1.164 9.925 1.00 64.10 H new ATOM 0 HB1 ALA A 142 -15.228 1.154 12.296 1.00 63.24 H new ATOM 0 HB2 ALA A 142 -15.547 -0.490 11.694 1.00 63.24 H new ATOM 0 HB3 ALA A 142 -13.872 0.089 11.853 1.00 63.24 H new ATOM 2051 N THR A 143 -13.432 2.363 8.973 1.00 65.23 N ATOM 2052 CA THR A 143 -12.649 3.561 8.813 1.00 25.21 C ATOM 2053 C THR A 143 -13.196 4.432 7.692 1.00 53.12 C ATOM 2054 O THR A 143 -13.996 3.976 6.869 1.00 45.23 O ATOM 2055 CB THR A 143 -11.148 3.264 8.562 1.00 13.10 C ATOM 2056 OG1 THR A 143 -10.970 2.508 7.363 1.00 43.25 O ATOM 2057 CG2 THR A 143 -10.541 2.505 9.725 1.00 41.25 C ATOM 0 H THR A 143 -13.402 1.712 8.188 1.00 65.23 H new ATOM 0 HA THR A 143 -12.727 4.101 9.757 1.00 25.21 H new ATOM 0 HB THR A 143 -10.641 4.223 8.459 1.00 13.10 H new ATOM 0 HG1 THR A 143 -11.614 1.769 7.343 1.00 43.25 H new ATOM 0 HG21 THR A 143 -9.488 2.310 9.522 1.00 41.25 H new ATOM 0 HG22 THR A 143 -10.632 3.099 10.634 1.00 41.25 H new ATOM 0 HG23 THR A 143 -11.066 1.559 9.856 1.00 41.25 H new ATOM 2063 N ASP A 144 -12.766 5.681 7.670 1.00 35.41 N ATOM 2064 CA ASP A 144 -13.151 6.631 6.615 1.00 51.31 C ATOM 2065 C ASP A 144 -12.117 6.630 5.519 1.00 22.22 C ATOM 2066 O ASP A 144 -12.094 7.525 4.682 1.00 14.42 O ATOM 2067 CB ASP A 144 -13.269 8.063 7.162 1.00 33.35 C ATOM 2068 CG ASP A 144 -14.366 8.245 8.166 1.00 35.55 C ATOM 2069 OD1 ASP A 144 -15.524 8.481 7.761 1.00 10.34 O ATOM 2070 OD2 ASP A 144 -14.089 8.186 9.377 1.00 52.41 O ATOM 0 H ASP A 144 -12.142 6.074 8.375 1.00 35.41 H new ATOM 0 HA ASP A 144 -14.120 6.314 6.230 1.00 51.31 H new ATOM 0 HB2 ASP A 144 -12.321 8.345 7.620 1.00 33.35 H new ATOM 0 HB3 ASP A 144 -13.436 8.746 6.329 1.00 33.35 H new ATOM 2075 N ILE A 145 -11.279 5.625 5.520 1.00 72.40 N ATOM 2076 CA ILE A 145 -10.195 5.523 4.577 1.00 4.33 C ATOM 2077 C ILE A 145 -10.700 4.994 3.236 1.00 13.12 C ATOM 2078 O ILE A 145 -11.389 3.973 3.175 1.00 52.01 O ATOM 2079 CB ILE A 145 -9.074 4.602 5.135 1.00 10.32 C ATOM 2080 CG1 ILE A 145 -8.577 5.151 6.484 1.00 63.30 C ATOM 2081 CG2 ILE A 145 -7.913 4.489 4.139 1.00 2.25 C ATOM 2082 CD1 ILE A 145 -7.559 4.278 7.182 1.00 70.33 C ATOM 0 H ILE A 145 -11.330 4.849 6.180 1.00 72.40 H new ATOM 0 HA ILE A 145 -9.780 6.519 4.421 1.00 4.33 H new ATOM 0 HB ILE A 145 -9.483 3.603 5.285 1.00 10.32 H new ATOM 0 HG12 ILE A 145 -8.141 6.137 6.322 1.00 63.30 H new ATOM 0 HG13 ILE A 145 -9.434 5.286 7.144 1.00 63.30 H new ATOM 0 HG21 ILE A 145 -7.141 3.840 4.552 1.00 2.25 H new ATOM 0 HG22 ILE A 145 -8.277 4.069 3.202 1.00 2.25 H new ATOM 0 HG23 ILE A 145 -7.494 5.478 3.955 1.00 2.25 H new ATOM 0 HD11 ILE A 145 -7.266 4.743 8.123 1.00 70.33 H new ATOM 0 HD12 ILE A 145 -7.995 3.299 7.381 1.00 70.33 H new ATOM 0 HD13 ILE A 145 -6.682 4.162 6.546 1.00 70.33 H new ATOM 2089 N LYS A 146 -10.388 5.711 2.188 1.00 14.54 N ATOM 2090 CA LYS A 146 -10.740 5.312 0.850 1.00 53.03 C ATOM 2091 C LYS A 146 -9.565 4.590 0.218 1.00 30.14 C ATOM 2092 O LYS A 146 -8.500 5.184 0.010 1.00 72.30 O ATOM 2093 CB LYS A 146 -11.151 6.523 -0.040 1.00 40.33 C ATOM 2094 CG LYS A 146 -12.489 7.202 0.301 1.00 53.25 C ATOM 2095 CD LYS A 146 -12.481 7.930 1.632 1.00 32.03 C ATOM 2096 CE LYS A 146 -13.858 8.484 1.956 1.00 25.43 C ATOM 2097 NZ LYS A 146 -13.872 9.238 3.229 1.00 51.33 N ATOM 0 H LYS A 146 -9.879 6.594 2.239 1.00 14.54 H new ATOM 0 HA LYS A 146 -11.604 4.650 0.917 1.00 53.03 H new ATOM 0 HB2 LYS A 146 -10.363 7.273 0.019 1.00 40.33 H new ATOM 0 HB3 LYS A 146 -11.193 6.186 -1.076 1.00 40.33 H new ATOM 0 HG2 LYS A 146 -12.739 7.910 -0.489 1.00 53.25 H new ATOM 0 HG3 LYS A 146 -13.276 6.448 0.314 1.00 53.25 H new ATOM 0 HD2 LYS A 146 -12.164 7.249 2.422 1.00 32.03 H new ATOM 0 HD3 LYS A 146 -11.756 8.743 1.602 1.00 32.03 H new ATOM 0 HE2 LYS A 146 -14.185 9.136 1.146 1.00 25.43 H new ATOM 0 HE3 LYS A 146 -14.573 7.664 2.014 1.00 25.43 H new ATOM 0 HZ1 LYS A 146 -14.846 9.290 3.591 1.00 51.33 H new ATOM 0 HZ2 LYS A 146 -13.269 8.755 3.925 1.00 51.33 H new ATOM 0 HZ3 LYS A 146 -13.511 10.200 3.067 1.00 51.33 H new ATOM 2111 N ILE A 147 -9.739 3.318 -0.062 1.00 55.43 N ATOM 2112 CA ILE A 147 -8.697 2.536 -0.682 1.00 63.42 C ATOM 2113 C ILE A 147 -8.964 2.349 -2.145 1.00 41.30 C ATOM 2114 O ILE A 147 -10.045 1.948 -2.549 1.00 40.10 O ATOM 2115 CB ILE A 147 -8.472 1.176 0.025 1.00 3.12 C ATOM 2116 CG1 ILE A 147 -7.921 1.443 1.413 1.00 71.42 C ATOM 2117 CG2 ILE A 147 -7.519 0.275 -0.774 1.00 43.32 C ATOM 2118 CD1 ILE A 147 -7.623 0.212 2.229 1.00 23.40 C ATOM 0 H ILE A 147 -10.597 2.802 0.132 1.00 55.43 H new ATOM 0 HA ILE A 147 -7.771 3.101 -0.572 1.00 63.42 H new ATOM 0 HB ILE A 147 -9.422 0.647 0.095 1.00 3.12 H new ATOM 0 HG12 ILE A 147 -7.006 2.027 1.318 1.00 71.42 H new ATOM 0 HG13 ILE A 147 -8.636 2.058 1.959 1.00 71.42 H new ATOM 0 HG21 ILE A 147 -7.385 -0.670 -0.248 1.00 43.32 H new ATOM 0 HG22 ILE A 147 -7.941 0.084 -1.761 1.00 43.32 H new ATOM 0 HG23 ILE A 147 -6.554 0.771 -0.881 1.00 43.32 H new ATOM 0 HD11 ILE A 147 -7.234 0.507 3.204 1.00 23.40 H new ATOM 0 HD12 ILE A 147 -8.537 -0.366 2.363 1.00 23.40 H new ATOM 0 HD13 ILE A 147 -6.882 -0.397 1.712 1.00 23.40 H new ATOM 2125 N THR A 148 -8.000 2.669 -2.928 1.00 31.14 N ATOM 2126 CA THR A 148 -8.117 2.554 -4.353 1.00 1.03 C ATOM 2127 C THR A 148 -7.022 1.633 -4.877 1.00 24.32 C ATOM 2128 O THR A 148 -5.844 1.818 -4.535 1.00 31.24 O ATOM 2129 CB THR A 148 -7.939 3.938 -4.998 1.00 34.32 C ATOM 2130 OG1 THR A 148 -8.759 4.890 -4.315 1.00 35.45 O ATOM 2131 CG2 THR A 148 -8.349 3.906 -6.459 1.00 1.43 C ATOM 0 H THR A 148 -7.098 3.021 -2.606 1.00 31.14 H new ATOM 0 HA THR A 148 -9.099 2.151 -4.600 1.00 1.03 H new ATOM 0 HB THR A 148 -6.888 4.218 -4.926 1.00 34.32 H new ATOM 0 HG1 THR A 148 -8.645 5.773 -4.724 1.00 35.45 H new ATOM 0 HG21 THR A 148 -8.215 4.895 -6.896 1.00 1.43 H new ATOM 0 HG22 THR A 148 -7.731 3.186 -6.995 1.00 1.43 H new ATOM 0 HG23 THR A 148 -9.396 3.614 -6.537 1.00 1.43 H new ATOM 2137 N VAL A 149 -7.388 0.639 -5.674 1.00 55.30 N ATOM 2138 CA VAL A 149 -6.384 -0.206 -6.274 1.00 42.32 C ATOM 2139 C VAL A 149 -6.236 0.142 -7.732 1.00 42.14 C ATOM 2140 O VAL A 149 -7.223 0.222 -8.473 1.00 14.24 O ATOM 2141 CB VAL A 149 -6.602 -1.752 -6.112 1.00 23.32 C ATOM 2142 CG1 VAL A 149 -6.736 -2.156 -4.677 1.00 12.54 C ATOM 2143 CG2 VAL A 149 -7.752 -2.279 -6.926 1.00 23.15 C ATOM 0 H VAL A 149 -8.352 0.407 -5.912 1.00 55.30 H new ATOM 0 HA VAL A 149 -5.471 0.003 -5.717 1.00 42.32 H new ATOM 0 HB VAL A 149 -5.698 -2.213 -6.509 1.00 23.32 H new ATOM 0 HG11 VAL A 149 -6.885 -3.234 -4.615 1.00 12.54 H new ATOM 0 HG12 VAL A 149 -5.830 -1.883 -4.136 1.00 12.54 H new ATOM 0 HG13 VAL A 149 -7.591 -1.645 -4.234 1.00 12.54 H new ATOM 0 HG21 VAL A 149 -7.847 -3.353 -6.768 1.00 23.15 H new ATOM 0 HG22 VAL A 149 -8.673 -1.784 -6.618 1.00 23.15 H new ATOM 0 HG23 VAL A 149 -7.570 -2.082 -7.983 1.00 23.15 H new ATOM 2149 N TYR A 150 -5.037 0.388 -8.120 1.00 51.55 N ATOM 2150 CA TYR A 150 -4.718 0.690 -9.483 1.00 43.13 C ATOM 2151 C TYR A 150 -4.128 -0.541 -10.104 1.00 5.34 C ATOM 2152 O TYR A 150 -3.142 -1.093 -9.595 1.00 61.13 O ATOM 2153 CB TYR A 150 -3.746 1.873 -9.561 1.00 71.32 C ATOM 2154 CG TYR A 150 -4.326 3.165 -9.022 1.00 1.23 C ATOM 2155 CD1 TYR A 150 -4.439 3.383 -7.657 1.00 71.12 C ATOM 2156 CD2 TYR A 150 -4.761 4.166 -9.881 1.00 53.41 C ATOM 2157 CE1 TYR A 150 -4.967 4.548 -7.161 1.00 24.30 C ATOM 2158 CE2 TYR A 150 -5.294 5.344 -9.390 1.00 31.54 C ATOM 2159 CZ TYR A 150 -5.394 5.526 -8.026 1.00 43.02 C ATOM 2160 OH TYR A 150 -5.916 6.695 -7.522 1.00 40.43 O ATOM 0 H TYR A 150 -4.231 0.387 -7.495 1.00 51.55 H new ATOM 0 HA TYR A 150 -5.617 0.981 -10.027 1.00 43.13 H new ATOM 0 HB2 TYR A 150 -2.842 1.628 -9.003 1.00 71.32 H new ATOM 0 HB3 TYR A 150 -3.449 2.022 -10.599 1.00 71.32 H new ATOM 0 HD1 TYR A 150 -4.104 2.620 -6.970 1.00 71.12 H new ATOM 0 HD2 TYR A 150 -4.682 4.022 -10.948 1.00 53.41 H new ATOM 0 HE1 TYR A 150 -5.047 4.696 -6.094 1.00 24.30 H new ATOM 0 HE2 TYR A 150 -5.629 6.115 -10.068 1.00 31.54 H new ATOM 0 HH TYR A 150 -6.171 7.285 -8.262 1.00 40.43 H new ATOM 2170 N THR A 151 -4.737 -1.006 -11.146 1.00 23.33 N ATOM 2171 CA THR A 151 -4.282 -2.191 -11.775 1.00 10.51 C ATOM 2172 C THR A 151 -4.343 -2.050 -13.280 1.00 12.24 C ATOM 2173 O THR A 151 -5.270 -1.480 -13.818 1.00 14.23 O ATOM 2174 CB THR A 151 -5.091 -3.402 -11.265 1.00 70.25 C ATOM 2175 OG1 THR A 151 -4.533 -4.637 -11.706 1.00 65.35 O ATOM 2176 CG2 THR A 151 -6.560 -3.352 -11.657 1.00 12.52 C ATOM 0 H THR A 151 -5.555 -0.576 -11.578 1.00 23.33 H new ATOM 0 HA THR A 151 -3.237 -2.362 -11.515 1.00 10.51 H new ATOM 0 HB THR A 151 -5.031 -3.343 -10.178 1.00 70.25 H new ATOM 0 HG1 THR A 151 -5.041 -4.969 -12.476 1.00 65.35 H new ATOM 0 HG21 THR A 151 -7.071 -4.232 -11.267 1.00 12.52 H new ATOM 0 HG22 THR A 151 -7.017 -2.454 -11.242 1.00 12.52 H new ATOM 0 HG23 THR A 151 -6.646 -3.334 -12.743 1.00 12.52 H new ATOM 2182 N LEU A 152 -3.344 -2.545 -13.929 1.00 74.42 N ATOM 2183 CA LEU A 152 -3.197 -2.419 -15.351 1.00 51.42 C ATOM 2184 C LEU A 152 -3.815 -3.638 -16.009 1.00 0.10 C ATOM 2185 O LEU A 152 -3.223 -4.735 -15.890 1.00 37.29 O ATOM 2186 CB LEU A 152 -1.692 -2.289 -15.753 1.00 53.10 C ATOM 2187 CG LEU A 152 -0.858 -1.152 -15.098 1.00 34.31 C ATOM 2188 CD1 LEU A 152 -0.676 -1.383 -13.639 1.00 33.00 C ATOM 2189 CD2 LEU A 152 0.493 -1.031 -15.741 1.00 21.32 C ATOM 2190 OXT LEU A 152 -4.890 -3.517 -16.642 1.00 37.29 O ATOM 0 H LEU A 152 -2.587 -3.061 -13.481 1.00 74.42 H new ATOM 0 HA LEU A 152 -3.704 -1.514 -15.687 1.00 51.42 H new ATOM 0 HB2 LEU A 152 -1.202 -3.236 -15.526 1.00 53.10 H new ATOM 0 HB3 LEU A 152 -1.645 -2.158 -16.834 1.00 53.10 H new ATOM 0 HG LEU A 152 -1.415 -0.227 -15.248 1.00 34.31 H new ATOM 0 HD11 LEU A 152 -0.089 -0.570 -13.212 1.00 33.00 H new ATOM 0 HD12 LEU A 152 -1.651 -1.421 -13.152 1.00 33.00 H new ATOM 0 HD13 LEU A 152 -0.155 -2.328 -13.482 1.00 33.00 H new ATOM 0 HD21 LEU A 152 1.053 -0.228 -15.262 1.00 21.32 H new ATOM 0 HD22 LEU A 152 1.035 -1.970 -15.627 1.00 21.32 H new ATOM 0 HD23 LEU A 152 0.373 -0.807 -16.801 1.00 21.32 H new