USER MOD reduce.3.24.130724 H: found=0, std=0, add=1194, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1196 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 19 GLN : amide:sc= -0.158 K(o=1.1,f=-3!) USER MOD Set 1.2: B 57 LYS NZ :NH3+ -176:sc= 1.26 (180deg=1.15) USER MOD Set 2.1: A 57 LYS NZ :NH3+ -160:sc= 1.27 (180deg=1.25) USER MOD Set 2.2: B 19 GLN : amide:sc= -0.41 K(o=0.86,f=-0.13) USER MOD Set 3.1: A 17 TYR OH : rot 43:sc= 1.21 USER MOD Set 3.2: A 47 SER OG : rot 180:sc= 0.0914 USER MOD Set 4.1: A 28 SER OG : rot 154:sc= 0.111 USER MOD Set 4.2: A 31 HIS : no HD1:sc= 1.36 K(o=1.5,f=-11!) USER MOD Set 5.1: A 13 SER OG : rot -65:sc= 1.21 USER MOD Set 5.2: A 22 THR OG1 : rot 180:sc= 1.04 USER MOD Single : A 10 THR OG1 : rot 180:sc=-0.00652 USER MOD Single : A 21 TYR OH : rot 180:sc= -0.394 USER MOD Single : A 42 LYS NZ :NH3+ -145:sc= 1.14 (180deg=0.634) USER MOD Single : A 43 MET CE :methyl 163:sc= -0.0289 (180deg=-0.349) USER MOD Single : A 44 HIS : no HD1:sc= -0.106 X(o=-0.11,f=-0.11) USER MOD Single : A 49 LYS NZ :NH3+ -176:sc= 1.21 (180deg=1.2) USER MOD Single : A 50 GLN : amide:sc= -0.236 K(o=-0.24,f=-1.5!) USER MOD Single : A 52 MET CE :methyl -109:sc= 0 (180deg=-1.3) USER MOD Single : A 62 THR OG1 : rot 150:sc= 0.0463 USER MOD Single : A 65 GLN : amide:sc= -0.162 X(o=-0.16,f=-0.38) USER MOD Single : A 68 SER OG : rot 59:sc= 0.383 USER MOD Single : A 70 TYR OH : rot 141:sc=-0.00027 USER MOD Single : A 72 LYS NZ :NH3+ 165:sc= 1.26 (180deg=0.689) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -0.276 K(o=-0.28,f=-3.8!) USER MOD Single : B 10 THR OG1 : rot 180:sc= -0.0191 USER MOD Single : B 13 SER OG : rot 180:sc=-0.000895 USER MOD Single : B 17 TYR OH : rot 180:sc= 0 USER MOD Single : B 21 TYR OH : rot 180:sc= -0.819 USER MOD Single : B 22 THR OG1 : rot 180:sc= 0 USER MOD Single : B 28 SER OG : rot 180:sc= 0 USER MOD Single : B 31 HIS : no HD1:sc= 0.423 K(o=0.42,f=-4.3!) USER MOD Single : B 42 LYS NZ :NH3+ -170:sc= 2.35 (180deg=2.01) USER MOD Single : B 43 MET CE :methyl 151:sc= -0.178 (180deg=-0.802) USER MOD Single : B 44 HIS : no HD1:sc= 0 X(o=0,f=-0.021) USER MOD Single : B 47 SER OG : rot 180:sc= 0.0817 USER MOD Single : B 49 LYS NZ :NH3+ -179:sc= 1.23 (180deg=1.23) USER MOD Single : B 50 GLN : amide:sc= -0.128 K(o=-0.13,f=-1.5!) USER MOD Single : B 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 62 THR OG1 : rot 2:sc= 1.12 USER MOD Single : B 65 GLN : amide:sc= -0.647! K(o=-0.65!,f=-0.079) USER MOD Single : B 68 SER OG : rot -77:sc= 0.816 USER MOD Single : B 70 TYR OH : rot 180:sc= 0 USER MOD Single : B 72 LYS NZ :NH3+ 167:sc= 1.26 (180deg=1.25) USER MOD Single : B 74 LYS NZ :NH3+ -159:sc= -0.0433 (180deg=-0.407) USER MOD Single : B 77 TYR OH : rot 180:sc= 0 USER MOD Single : B 78 GLN : amide:sc= -0.302 K(o=-0.3,f=-6.2!) USER MOD ----------------------------------------------------------------- ATOM 138 N THR A 10 19.066 1.335 -5.547 1.00 0.30 N ATOM 139 CA THR A 10 19.648 0.182 -4.887 1.00 0.36 C ATOM 140 C THR A 10 18.567 -0.732 -4.311 1.00 0.30 C ATOM 141 O THR A 10 17.390 -0.361 -4.239 1.00 0.27 O ATOM 142 CB THR A 10 20.612 0.630 -3.762 1.00 0.49 C ATOM 143 OG1 THR A 10 21.453 -0.461 -3.364 1.00 0.62 O ATOM 144 CG2 THR A 10 19.848 1.155 -2.552 1.00 0.60 C ATOM 0 HA THR A 10 20.208 -0.379 -5.635 1.00 0.36 H new ATOM 0 HB THR A 10 21.228 1.438 -4.157 1.00 0.49 H new ATOM 0 HG1 THR A 10 22.059 -0.164 -2.653 1.00 0.62 H new ATOM 0 HG21 THR A 10 20.554 1.461 -1.780 1.00 0.60 H new ATOM 0 HG22 THR A 10 19.241 2.010 -2.848 1.00 0.60 H new ATOM 0 HG23 THR A 10 19.202 0.369 -2.161 1.00 0.60 H new ATOM 152 N ARG A 11 18.975 -1.920 -3.901 1.00 0.30 N ATOM 153 CA ARG A 11 18.058 -2.889 -3.331 1.00 0.26 C ATOM 154 C ARG A 11 18.282 -2.997 -1.825 1.00 0.21 C ATOM 155 O ARG A 11 19.416 -2.918 -1.350 1.00 0.22 O ATOM 156 CB ARG A 11 18.230 -4.256 -4.004 1.00 0.32 C ATOM 157 CG ARG A 11 19.536 -4.961 -3.662 1.00 0.40 C ATOM 158 CD ARG A 11 19.763 -6.174 -4.549 1.00 0.55 C ATOM 159 NE ARG A 11 20.124 -5.798 -5.915 1.00 0.68 N ATOM 160 CZ ARG A 11 20.339 -6.667 -6.904 1.00 1.07 C ATOM 161 NH1 ARG A 11 20.208 -7.972 -6.687 1.00 1.36 N1+ ATOM 162 NH2 ARG A 11 20.689 -6.226 -8.109 1.00 1.17 N ATOM 0 H ARG A 11 19.943 -2.238 -3.953 1.00 0.30 H new ATOM 0 HA ARG A 11 17.037 -2.552 -3.508 1.00 0.26 H new ATOM 0 HB2 ARG A 11 17.398 -4.898 -3.715 1.00 0.32 H new ATOM 0 HB3 ARG A 11 18.173 -4.126 -5.085 1.00 0.32 H new ATOM 0 HG2 ARG A 11 20.367 -4.265 -3.776 1.00 0.40 H new ATOM 0 HG3 ARG A 11 19.521 -5.271 -2.617 1.00 0.40 H new ATOM 0 HD2 ARG A 11 20.554 -6.791 -4.123 1.00 0.55 H new ATOM 0 HD3 ARG A 11 18.859 -6.783 -4.568 1.00 0.55 H new ATOM 0 HE ARG A 11 20.218 -4.804 -6.126 1.00 0.68 H new ATOM 0 HH11 ARG A 11 19.942 -8.311 -5.762 1.00 1.36 H new ATOM 0 HH12 ARG A 11 20.373 -8.634 -7.445 1.00 1.36 H new ATOM 0 HH21 ARG A 11 20.793 -5.225 -8.275 1.00 1.17 H new ATOM 0 HH22 ARG A 11 20.854 -6.889 -8.867 1.00 1.17 H new ATOM 176 N VAL A 12 17.201 -3.162 -1.084 1.00 0.16 N ATOM 177 CA VAL A 12 17.279 -3.283 0.363 1.00 0.12 C ATOM 178 C VAL A 12 16.549 -4.539 0.834 1.00 0.14 C ATOM 179 O VAL A 12 15.451 -4.844 0.363 1.00 0.18 O ATOM 180 CB VAL A 12 16.691 -2.032 1.067 1.00 0.09 C ATOM 181 CG1 VAL A 12 15.206 -1.878 0.765 1.00 0.08 C ATOM 182 CG2 VAL A 12 16.933 -2.083 2.572 1.00 0.12 C ATOM 0 H VAL A 12 16.255 -3.216 -1.461 1.00 0.16 H new ATOM 0 HA VAL A 12 18.332 -3.361 0.632 1.00 0.12 H new ATOM 0 HB VAL A 12 17.208 -1.158 0.671 1.00 0.09 H new ATOM 0 HG11 VAL A 12 14.822 -0.993 1.272 1.00 0.08 H new ATOM 0 HG12 VAL A 12 15.063 -1.772 -0.310 1.00 0.08 H new ATOM 0 HG13 VAL A 12 14.670 -2.759 1.117 1.00 0.08 H new ATOM 0 HG21 VAL A 12 16.510 -1.193 3.039 1.00 0.12 H new ATOM 0 HG22 VAL A 12 16.457 -2.972 2.987 1.00 0.12 H new ATOM 0 HG23 VAL A 12 18.005 -2.120 2.767 1.00 0.12 H new ATOM 192 N SER A 13 17.180 -5.283 1.729 1.00 0.14 N ATOM 193 CA SER A 13 16.584 -6.492 2.270 1.00 0.17 C ATOM 194 C SER A 13 16.075 -6.230 3.683 1.00 0.12 C ATOM 195 O SER A 13 16.854 -5.916 4.584 1.00 0.15 O ATOM 196 CB SER A 13 17.599 -7.638 2.277 1.00 0.25 C ATOM 197 OG SER A 13 18.028 -7.945 0.960 1.00 0.56 O ATOM 0 H SER A 13 18.107 -5.069 2.096 1.00 0.14 H new ATOM 0 HA SER A 13 15.746 -6.782 1.636 1.00 0.17 H new ATOM 0 HB2 SER A 13 18.458 -7.364 2.889 1.00 0.25 H new ATOM 0 HB3 SER A 13 17.152 -8.521 2.733 1.00 0.25 H new ATOM 0 HG SER A 13 17.270 -8.285 0.440 1.00 0.56 H new ATOM 203 N VAL A 14 14.767 -6.344 3.869 1.00 0.06 N ATOM 204 CA VAL A 14 14.158 -6.119 5.171 1.00 0.08 C ATOM 205 C VAL A 14 13.539 -7.406 5.700 1.00 0.08 C ATOM 206 O VAL A 14 13.462 -8.402 4.983 1.00 0.12 O ATOM 207 CB VAL A 14 13.082 -5.012 5.127 1.00 0.09 C ATOM 208 CG1 VAL A 14 13.696 -3.682 4.713 1.00 0.10 C ATOM 209 CG2 VAL A 14 11.937 -5.388 4.192 1.00 0.09 C ATOM 0 H VAL A 14 14.107 -6.592 3.132 1.00 0.06 H new ATOM 0 HA VAL A 14 14.953 -5.790 5.840 1.00 0.08 H new ATOM 0 HB VAL A 14 12.672 -4.907 6.132 1.00 0.09 H new ATOM 0 HG11 VAL A 14 12.921 -2.916 4.688 1.00 0.10 H new ATOM 0 HG12 VAL A 14 14.465 -3.397 5.431 1.00 0.10 H new ATOM 0 HG13 VAL A 14 14.142 -3.779 3.723 1.00 0.10 H new ATOM 0 HG21 VAL A 14 11.197 -4.588 4.184 1.00 0.09 H new ATOM 0 HG22 VAL A 14 12.324 -5.535 3.184 1.00 0.09 H new ATOM 0 HG23 VAL A 14 11.471 -6.310 4.540 1.00 0.09 H new ATOM 219 N ARG A 15 13.094 -7.381 6.944 1.00 0.05 N ATOM 220 CA ARG A 15 12.494 -8.553 7.556 1.00 0.05 C ATOM 221 C ARG A 15 11.020 -8.303 7.876 1.00 0.04 C ATOM 222 O ARG A 15 10.690 -7.397 8.641 1.00 0.07 O ATOM 223 CB ARG A 15 13.255 -8.915 8.831 1.00 0.06 C ATOM 224 CG ARG A 15 12.861 -10.258 9.426 1.00 0.06 C ATOM 225 CD ARG A 15 13.610 -10.528 10.721 1.00 0.11 C ATOM 226 NE ARG A 15 15.060 -10.536 10.524 1.00 0.16 N ATOM 227 CZ ARG A 15 15.947 -10.266 11.483 1.00 0.20 C ATOM 228 NH1 ARG A 15 15.540 -9.932 12.703 1.00 0.20 N1+ ATOM 229 NH2 ARG A 15 17.247 -10.307 11.218 1.00 0.26 N ATOM 0 H ARG A 15 13.137 -6.562 7.550 1.00 0.05 H new ATOM 0 HA ARG A 15 12.554 -9.383 6.852 1.00 0.05 H new ATOM 0 HB2 ARG A 15 14.323 -8.925 8.614 1.00 0.06 H new ATOM 0 HB3 ARG A 15 13.088 -8.136 9.575 1.00 0.06 H new ATOM 0 HG2 ARG A 15 11.787 -10.274 9.614 1.00 0.06 H new ATOM 0 HG3 ARG A 15 13.071 -11.052 8.709 1.00 0.06 H new ATOM 0 HD2 ARG A 15 13.348 -9.767 11.457 1.00 0.11 H new ATOM 0 HD3 ARG A 15 13.294 -11.488 11.129 1.00 0.11 H new ATOM 0 HE ARG A 15 15.415 -10.762 9.595 1.00 0.16 H new ATOM 0 HH11 ARG A 15 14.543 -9.881 12.912 1.00 0.20 H new ATOM 0 HH12 ARG A 15 16.225 -9.727 13.431 1.00 0.20 H new ATOM 0 HH21 ARG A 15 17.569 -10.545 10.280 1.00 0.26 H new ATOM 0 HH22 ARG A 15 17.924 -10.100 11.952 1.00 0.26 H new ATOM 243 N ILE A 16 10.143 -9.103 7.280 1.00 0.03 N ATOM 244 CA ILE A 16 8.704 -8.981 7.503 1.00 0.04 C ATOM 245 C ILE A 16 8.108 -10.351 7.806 1.00 0.04 C ATOM 246 O ILE A 16 8.339 -11.308 7.067 1.00 0.04 O ATOM 247 CB ILE A 16 7.974 -8.373 6.280 1.00 0.05 C ATOM 248 CG1 ILE A 16 8.557 -7.000 5.931 1.00 0.08 C ATOM 249 CG2 ILE A 16 6.476 -8.263 6.548 1.00 0.06 C ATOM 250 CD1 ILE A 16 8.103 -6.470 4.588 1.00 0.07 C ATOM 0 H ILE A 16 10.404 -9.848 6.634 1.00 0.03 H new ATOM 0 HA ILE A 16 8.565 -8.309 8.350 1.00 0.04 H new ATOM 0 HB ILE A 16 8.124 -9.037 5.429 1.00 0.05 H new ATOM 0 HG12 ILE A 16 8.276 -6.288 6.707 1.00 0.08 H new ATOM 0 HG13 ILE A 16 9.645 -7.065 5.937 1.00 0.08 H new ATOM 0 HG21 ILE A 16 5.981 -7.834 5.677 1.00 0.06 H new ATOM 0 HG22 ILE A 16 6.068 -9.254 6.745 1.00 0.06 H new ATOM 0 HG23 ILE A 16 6.307 -7.622 7.414 1.00 0.06 H new ATOM 0 HD11 ILE A 16 8.556 -5.495 4.410 1.00 0.07 H new ATOM 0 HD12 ILE A 16 8.408 -7.161 3.802 1.00 0.07 H new ATOM 0 HD13 ILE A 16 7.017 -6.372 4.584 1.00 0.07 H new ATOM 262 N TYR A 17 7.372 -10.443 8.908 1.00 0.08 N ATOM 263 CA TYR A 17 6.724 -11.687 9.326 1.00 0.11 C ATOM 264 C TYR A 17 7.743 -12.808 9.537 1.00 0.19 C ATOM 265 O TYR A 17 7.445 -13.984 9.323 1.00 0.56 O ATOM 266 CB TYR A 17 5.668 -12.109 8.300 1.00 0.04 C ATOM 267 CG TYR A 17 4.291 -12.309 8.894 1.00 0.09 C ATOM 268 CD1 TYR A 17 3.721 -11.339 9.710 1.00 0.08 C ATOM 269 CD2 TYR A 17 3.568 -13.468 8.645 1.00 0.18 C ATOM 270 CE1 TYR A 17 2.465 -11.517 10.256 1.00 0.12 C ATOM 271 CE2 TYR A 17 2.311 -13.652 9.190 1.00 0.23 C ATOM 272 CZ TYR A 17 1.764 -12.676 9.997 1.00 0.20 C ATOM 273 OH TYR A 17 0.513 -12.859 10.540 1.00 0.25 O ATOM 0 H TYR A 17 7.206 -9.659 9.539 1.00 0.08 H new ATOM 0 HA TYR A 17 6.234 -11.502 10.282 1.00 0.11 H new ATOM 0 HB2 TYR A 17 5.611 -11.352 7.518 1.00 0.04 H new ATOM 0 HB3 TYR A 17 5.987 -13.036 7.823 1.00 0.04 H new ATOM 0 HD1 TYR A 17 4.269 -10.432 9.920 1.00 0.08 H new ATOM 0 HD2 TYR A 17 3.994 -14.236 8.017 1.00 0.18 H new ATOM 0 HE1 TYR A 17 2.033 -10.751 10.884 1.00 0.12 H new ATOM 0 HE2 TYR A 17 1.759 -14.557 8.985 1.00 0.23 H new ATOM 0 HH TYR A 17 -0.002 -12.029 10.461 1.00 0.25 H new ATOM 283 N GLY A 18 8.946 -12.434 9.956 1.00 0.18 N ATOM 284 CA GLY A 18 9.990 -13.413 10.201 1.00 0.13 C ATOM 285 C GLY A 18 10.683 -13.885 8.936 1.00 0.05 C ATOM 286 O GLY A 18 11.435 -14.860 8.962 1.00 0.11 O ATOM 0 H GLY A 18 9.218 -11.467 10.131 1.00 0.18 H new ATOM 0 HA2 GLY A 18 10.732 -12.982 10.873 1.00 0.13 H new ATOM 0 HA3 GLY A 18 9.558 -14.273 10.712 1.00 0.13 H new ATOM 290 N GLN A 19 10.433 -13.207 7.827 1.00 0.05 N ATOM 291 CA GLN A 19 11.052 -13.572 6.557 1.00 0.10 C ATOM 292 C GLN A 19 11.724 -12.352 5.935 1.00 0.05 C ATOM 293 O GLN A 19 11.296 -11.223 6.164 1.00 0.08 O ATOM 294 CB GLN A 19 10.007 -14.166 5.606 1.00 0.19 C ATOM 295 CG GLN A 19 9.403 -15.469 6.115 1.00 0.14 C ATOM 296 CD GLN A 19 7.918 -15.578 5.837 1.00 0.49 C ATOM 297 OE1 GLN A 19 7.497 -16.168 4.846 1.00 0.68 O ATOM 298 NE2 GLN A 19 7.110 -15.009 6.714 1.00 0.67 N ATOM 0 H GLN A 19 9.808 -12.403 7.778 1.00 0.05 H new ATOM 0 HA GLN A 19 11.814 -14.330 6.738 1.00 0.10 H new ATOM 0 HB2 GLN A 19 9.210 -13.439 5.453 1.00 0.19 H new ATOM 0 HB3 GLN A 19 10.468 -14.342 4.634 1.00 0.19 H new ATOM 0 HG2 GLN A 19 9.918 -16.309 5.648 1.00 0.14 H new ATOM 0 HG3 GLN A 19 9.573 -15.548 7.189 1.00 0.14 H new ATOM 0 HE21 GLN A 19 7.496 -14.527 7.526 1.00 0.67 H new ATOM 0 HE22 GLN A 19 6.100 -15.051 6.579 1.00 0.67 H new ATOM 307 N ASP A 20 12.781 -12.576 5.170 1.00 0.12 N ATOM 308 CA ASP A 20 13.507 -11.480 4.537 1.00 0.10 C ATOM 309 C ASP A 20 12.974 -11.212 3.132 1.00 0.09 C ATOM 310 O ASP A 20 12.668 -12.141 2.381 1.00 0.10 O ATOM 311 CB ASP A 20 15.014 -11.774 4.494 1.00 0.17 C ATOM 312 CG ASP A 20 15.382 -12.907 3.555 1.00 0.39 C ATOM 313 OD1 ASP A 20 15.063 -14.074 3.872 1.00 0.49 O1- ATOM 314 OD2 ASP A 20 16.004 -12.634 2.507 1.00 0.55 O ATOM 0 H ASP A 20 13.156 -13.503 4.971 1.00 0.12 H new ATOM 0 HA ASP A 20 13.350 -10.584 5.138 1.00 0.10 H new ATOM 0 HB2 ASP A 20 15.544 -10.872 4.188 1.00 0.17 H new ATOM 0 HB3 ASP A 20 15.357 -12.019 5.499 1.00 0.17 H new ATOM 319 N TYR A 21 12.847 -9.936 2.792 1.00 0.07 N ATOM 320 CA TYR A 21 12.351 -9.522 1.485 1.00 0.07 C ATOM 321 C TYR A 21 13.202 -8.389 0.932 1.00 0.07 C ATOM 322 O TYR A 21 13.497 -7.421 1.633 1.00 0.16 O ATOM 323 CB TYR A 21 10.888 -9.083 1.583 1.00 0.05 C ATOM 324 CG TYR A 21 9.981 -10.179 2.077 1.00 0.07 C ATOM 325 CD1 TYR A 21 9.637 -11.239 1.254 1.00 0.05 C ATOM 326 CD2 TYR A 21 9.484 -10.162 3.370 1.00 0.15 C ATOM 327 CE1 TYR A 21 8.824 -12.255 1.705 1.00 0.08 C ATOM 328 CE2 TYR A 21 8.666 -11.175 3.833 1.00 0.17 C ATOM 329 CZ TYR A 21 8.338 -12.218 2.995 1.00 0.12 C ATOM 330 OH TYR A 21 7.530 -13.236 3.449 1.00 0.15 O ATOM 0 H TYR A 21 13.084 -9.161 3.411 1.00 0.07 H new ATOM 0 HA TYR A 21 12.415 -10.372 0.806 1.00 0.07 H new ATOM 0 HB2 TYR A 21 10.815 -8.227 2.254 1.00 0.05 H new ATOM 0 HB3 TYR A 21 10.547 -8.750 0.603 1.00 0.05 H new ATOM 0 HD1 TYR A 21 10.013 -11.269 0.242 1.00 0.05 H new ATOM 0 HD2 TYR A 21 9.740 -9.344 4.027 1.00 0.15 H new ATOM 0 HE1 TYR A 21 8.568 -13.076 1.052 1.00 0.08 H new ATOM 0 HE2 TYR A 21 8.287 -11.149 4.844 1.00 0.17 H new ATOM 0 HH TYR A 21 7.273 -13.060 4.378 1.00 0.15 H new ATOM 340 N THR A 22 13.596 -8.514 -0.323 1.00 0.19 N ATOM 341 CA THR A 22 14.422 -7.507 -0.964 1.00 0.20 C ATOM 342 C THR A 22 13.607 -6.673 -1.953 1.00 0.21 C ATOM 343 O THR A 22 12.980 -7.212 -2.869 1.00 0.38 O ATOM 344 CB THR A 22 15.608 -8.164 -1.693 1.00 0.25 C ATOM 345 OG1 THR A 22 16.275 -9.082 -0.811 1.00 0.19 O ATOM 346 CG2 THR A 22 16.595 -7.114 -2.188 1.00 0.32 C ATOM 0 H THR A 22 13.356 -9.306 -0.920 1.00 0.19 H new ATOM 0 HA THR A 22 14.803 -6.847 -0.185 1.00 0.20 H new ATOM 0 HB THR A 22 15.221 -8.705 -2.557 1.00 0.25 H new ATOM 0 HG1 THR A 22 17.028 -9.498 -1.280 1.00 0.19 H new ATOM 0 HG21 THR A 22 17.423 -7.605 -2.699 1.00 0.32 H new ATOM 0 HG22 THR A 22 16.091 -6.438 -2.879 1.00 0.32 H new ATOM 0 HG23 THR A 22 16.978 -6.546 -1.340 1.00 0.32 H new ATOM 354 N ILE A 23 13.621 -5.358 -1.756 1.00 0.16 N ATOM 355 CA ILE A 23 12.893 -4.434 -2.621 1.00 0.16 C ATOM 356 C ILE A 23 13.801 -3.293 -3.067 1.00 0.15 C ATOM 357 O ILE A 23 14.979 -3.259 -2.715 1.00 0.13 O ATOM 358 CB ILE A 23 11.635 -3.835 -1.942 1.00 0.17 C ATOM 359 CG1 ILE A 23 11.961 -3.273 -0.537 1.00 0.05 C ATOM 360 CG2 ILE A 23 10.508 -4.861 -1.905 1.00 0.31 C ATOM 361 CD1 ILE A 23 11.905 -4.276 0.603 1.00 0.06 C ATOM 0 H ILE A 23 14.133 -4.905 -0.999 1.00 0.16 H new ATOM 0 HA ILE A 23 12.564 -5.018 -3.480 1.00 0.16 H new ATOM 0 HB ILE A 23 11.292 -2.991 -2.541 1.00 0.17 H new ATOM 0 HG12 ILE A 23 12.959 -2.836 -0.563 1.00 0.05 H new ATOM 0 HG13 ILE A 23 11.264 -2.464 -0.319 1.00 0.05 H new ATOM 0 HG21 ILE A 23 9.633 -4.423 -1.425 1.00 0.31 H new ATOM 0 HG22 ILE A 23 10.253 -5.158 -2.922 1.00 0.31 H new ATOM 0 HG23 ILE A 23 10.831 -5.736 -1.341 1.00 0.31 H new ATOM 0 HD11 ILE A 23 12.150 -3.776 1.540 1.00 0.06 H new ATOM 0 HD12 ILE A 23 10.902 -4.697 0.668 1.00 0.06 H new ATOM 0 HD13 ILE A 23 12.623 -5.075 0.420 1.00 0.06 H new ATOM 373 N VAL A 24 13.247 -2.361 -3.830 1.00 0.16 N ATOM 374 CA VAL A 24 14.005 -1.222 -4.331 1.00 0.15 C ATOM 375 C VAL A 24 13.881 -0.028 -3.383 1.00 0.15 C ATOM 376 O VAL A 24 12.779 0.448 -3.110 1.00 0.15 O ATOM 377 CB VAL A 24 13.520 -0.803 -5.734 1.00 0.17 C ATOM 378 CG1 VAL A 24 14.386 0.316 -6.294 1.00 0.17 C ATOM 379 CG2 VAL A 24 13.507 -1.997 -6.674 1.00 0.18 C ATOM 0 H VAL A 24 12.268 -2.372 -4.117 1.00 0.16 H new ATOM 0 HA VAL A 24 15.049 -1.530 -4.393 1.00 0.15 H new ATOM 0 HB VAL A 24 12.501 -0.428 -5.644 1.00 0.17 H new ATOM 0 HG11 VAL A 24 14.025 0.595 -7.284 1.00 0.17 H new ATOM 0 HG12 VAL A 24 14.336 1.181 -5.633 1.00 0.17 H new ATOM 0 HG13 VAL A 24 15.419 -0.025 -6.367 1.00 0.17 H new ATOM 0 HG21 VAL A 24 13.162 -1.681 -7.659 1.00 0.18 H new ATOM 0 HG22 VAL A 24 14.514 -2.406 -6.756 1.00 0.18 H new ATOM 0 HG23 VAL A 24 12.836 -2.761 -6.282 1.00 0.18 H new ATOM 389 N GLY A 25 15.012 0.455 -2.888 1.00 0.14 N ATOM 390 CA GLY A 25 15.007 1.587 -1.981 1.00 0.13 C ATOM 391 C GLY A 25 15.457 2.859 -2.668 1.00 0.11 C ATOM 392 O GLY A 25 16.610 3.271 -2.540 1.00 0.08 O ATOM 0 H GLY A 25 15.937 0.082 -3.099 1.00 0.14 H new ATOM 0 HA2 GLY A 25 14.003 1.726 -1.579 1.00 0.13 H new ATOM 0 HA3 GLY A 25 15.663 1.379 -1.136 1.00 0.13 H new ATOM 396 N ALA A 26 14.545 3.484 -3.399 1.00 0.15 N ATOM 397 CA ALA A 26 14.861 4.706 -4.123 1.00 0.17 C ATOM 398 C ALA A 26 14.434 5.962 -3.365 1.00 0.12 C ATOM 399 O ALA A 26 14.907 7.056 -3.665 1.00 0.19 O ATOM 400 CB ALA A 26 14.217 4.678 -5.499 1.00 0.27 C ATOM 0 H ALA A 26 13.582 3.165 -3.506 1.00 0.15 H new ATOM 0 HA ALA A 26 15.945 4.749 -4.227 1.00 0.17 H new ATOM 0 HB1 ALA A 26 14.459 5.597 -6.033 1.00 0.27 H new ATOM 0 HB2 ALA A 26 14.594 3.822 -6.060 1.00 0.27 H new ATOM 0 HB3 ALA A 26 13.135 4.595 -5.393 1.00 0.27 H new ATOM 406 N GLU A 27 13.539 5.815 -2.394 1.00 0.11 N ATOM 407 CA GLU A 27 13.071 6.963 -1.627 1.00 0.05 C ATOM 408 C GLU A 27 14.127 7.400 -0.605 1.00 0.10 C ATOM 409 O GLU A 27 14.728 8.468 -0.744 1.00 0.20 O ATOM 410 CB GLU A 27 11.736 6.646 -0.938 1.00 0.11 C ATOM 411 CG GLU A 27 11.146 7.825 -0.177 1.00 0.78 C ATOM 412 CD GLU A 27 10.099 7.399 0.832 1.00 1.22 C ATOM 413 OE1 GLU A 27 9.962 6.182 1.070 1.00 1.46 O ATOM 414 OE2 GLU A 27 9.429 8.283 1.404 1.00 1.58 O1- ATOM 0 H GLU A 27 13.127 4.923 -2.122 1.00 0.11 H new ATOM 0 HA GLU A 27 12.907 7.792 -2.316 1.00 0.05 H new ATOM 0 HB2 GLU A 27 11.019 6.314 -1.689 1.00 0.11 H new ATOM 0 HB3 GLU A 27 11.882 5.815 -0.248 1.00 0.11 H new ATOM 0 HG2 GLU A 27 11.946 8.358 0.337 1.00 0.78 H new ATOM 0 HG3 GLU A 27 10.701 8.524 -0.885 1.00 0.78 H new ATOM 421 N SER A 28 14.361 6.567 0.406 1.00 0.11 N ATOM 422 CA SER A 28 15.345 6.856 1.448 1.00 0.17 C ATOM 423 C SER A 28 15.477 5.654 2.374 1.00 0.18 C ATOM 424 O SER A 28 14.489 4.966 2.637 1.00 0.15 O ATOM 425 CB SER A 28 14.937 8.101 2.248 1.00 0.18 C ATOM 426 OG SER A 28 13.533 8.144 2.436 1.00 0.26 O ATOM 0 H SER A 28 13.877 5.677 0.527 1.00 0.11 H new ATOM 0 HA SER A 28 16.308 7.055 0.977 1.00 0.17 H new ATOM 0 HB2 SER A 28 15.438 8.096 3.216 1.00 0.18 H new ATOM 0 HB3 SER A 28 15.265 8.999 1.724 1.00 0.18 H new ATOM 0 HG SER A 28 13.327 8.653 3.248 1.00 0.26 H new ATOM 432 N PRO A 29 16.693 5.380 2.881 1.00 0.23 N ATOM 433 CA PRO A 29 16.948 4.237 3.769 1.00 0.26 C ATOM 434 C PRO A 29 16.094 4.256 5.037 1.00 0.28 C ATOM 435 O PRO A 29 15.630 3.215 5.496 1.00 0.34 O ATOM 436 CB PRO A 29 18.436 4.369 4.124 1.00 0.31 C ATOM 437 CG PRO A 29 18.792 5.779 3.794 1.00 0.31 C ATOM 438 CD PRO A 29 17.919 6.162 2.635 1.00 0.25 C ATOM 0 HA PRO A 29 16.694 3.297 3.279 1.00 0.26 H new ATOM 0 HB2 PRO A 29 18.610 4.155 5.179 1.00 0.31 H new ATOM 0 HB3 PRO A 29 19.041 3.666 3.552 1.00 0.31 H new ATOM 0 HG2 PRO A 29 18.619 6.435 4.647 1.00 0.31 H new ATOM 0 HG3 PRO A 29 19.847 5.865 3.534 1.00 0.31 H new ATOM 0 HD2 PRO A 29 17.719 7.233 2.615 1.00 0.25 H new ATOM 0 HD3 PRO A 29 18.378 5.906 1.680 1.00 0.25 H new ATOM 446 N ALA A 30 15.874 5.444 5.589 1.00 0.27 N ATOM 447 CA ALA A 30 15.085 5.585 6.808 1.00 0.30 C ATOM 448 C ALA A 30 13.611 5.270 6.564 1.00 0.18 C ATOM 449 O ALA A 30 12.979 4.561 7.348 1.00 0.15 O ATOM 450 CB ALA A 30 15.240 6.986 7.376 1.00 0.41 C ATOM 0 H ALA A 30 16.230 6.323 5.213 1.00 0.27 H new ATOM 0 HA ALA A 30 15.461 4.863 7.533 1.00 0.30 H new ATOM 0 HB1 ALA A 30 14.646 7.078 8.285 1.00 0.41 H new ATOM 0 HB2 ALA A 30 16.289 7.171 7.608 1.00 0.41 H new ATOM 0 HB3 ALA A 30 14.896 7.716 6.643 1.00 0.41 H new ATOM 456 N HIS A 31 13.074 5.783 5.464 1.00 0.13 N ATOM 457 CA HIS A 31 11.670 5.566 5.127 1.00 0.10 C ATOM 458 C HIS A 31 11.390 4.096 4.848 1.00 0.09 C ATOM 459 O HIS A 31 10.501 3.502 5.452 1.00 0.19 O ATOM 460 CB HIS A 31 11.266 6.400 3.913 1.00 0.21 C ATOM 461 CG HIS A 31 10.749 7.766 4.248 1.00 0.05 C ATOM 462 ND1 HIS A 31 11.462 8.914 3.998 1.00 0.28 N ATOM 463 CD2 HIS A 31 9.574 8.167 4.787 1.00 0.12 C ATOM 464 CE1 HIS A 31 10.751 9.959 4.364 1.00 0.41 C ATOM 465 NE2 HIS A 31 9.600 9.539 4.849 1.00 0.32 N ATOM 0 H HIS A 31 13.587 6.351 4.790 1.00 0.13 H new ATOM 0 HA HIS A 31 11.079 5.878 5.988 1.00 0.10 H new ATOM 0 HB2 HIS A 31 12.128 6.502 3.254 1.00 0.21 H new ATOM 0 HB3 HIS A 31 10.500 5.861 3.355 1.00 0.21 H new ATOM 0 HD2 HIS A 31 8.766 7.527 5.109 1.00 0.12 H new ATOM 0 HE1 HIS A 31 11.060 10.991 4.281 1.00 0.41 H new ATOM 0 HE2 HIS A 31 8.854 10.133 5.210 1.00 0.32 H new ATOM 474 N ILE A 32 12.173 3.507 3.951 1.00 0.08 N ATOM 475 CA ILE A 32 12.001 2.101 3.575 1.00 0.20 C ATOM 476 C ILE A 32 12.254 1.154 4.751 1.00 0.27 C ATOM 477 O ILE A 32 11.870 -0.013 4.715 1.00 0.36 O ATOM 478 CB ILE A 32 12.918 1.713 2.392 1.00 0.23 C ATOM 479 CG1 ILE A 32 14.400 1.792 2.804 1.00 0.25 C ATOM 480 CG2 ILE A 32 12.630 2.610 1.190 1.00 0.18 C ATOM 481 CD1 ILE A 32 15.380 1.552 1.675 1.00 0.30 C ATOM 0 H ILE A 32 12.936 3.980 3.467 1.00 0.08 H new ATOM 0 HA ILE A 32 10.961 1.994 3.267 1.00 0.20 H new ATOM 0 HB ILE A 32 12.709 0.682 2.107 1.00 0.23 H new ATOM 0 HG12 ILE A 32 14.593 2.776 3.232 1.00 0.25 H new ATOM 0 HG13 ILE A 32 14.585 1.060 3.590 1.00 0.25 H new ATOM 0 HG21 ILE A 32 13.281 2.329 0.362 1.00 0.18 H new ATOM 0 HG22 ILE A 32 11.589 2.492 0.889 1.00 0.18 H new ATOM 0 HG23 ILE A 32 12.814 3.650 1.460 1.00 0.18 H new ATOM 0 HD11 ILE A 32 16.399 1.627 2.055 1.00 0.30 H new ATOM 0 HD12 ILE A 32 15.220 0.557 1.259 1.00 0.30 H new ATOM 0 HD13 ILE A 32 15.228 2.299 0.896 1.00 0.30 H new ATOM 493 N ARG A 33 12.887 1.667 5.799 1.00 0.25 N ATOM 494 CA ARG A 33 13.181 0.867 6.977 1.00 0.32 C ATOM 495 C ARG A 33 11.928 0.685 7.832 1.00 0.34 C ATOM 496 O ARG A 33 11.660 -0.409 8.332 1.00 0.57 O ATOM 497 CB ARG A 33 14.291 1.525 7.802 1.00 0.34 C ATOM 498 CG ARG A 33 15.111 0.542 8.619 1.00 0.38 C ATOM 499 CD ARG A 33 16.144 -0.174 7.760 1.00 0.37 C ATOM 500 NE ARG A 33 16.757 -1.300 8.463 1.00 0.36 N ATOM 501 CZ ARG A 33 17.311 -2.348 7.853 1.00 0.68 C ATOM 502 NH1 ARG A 33 17.364 -2.398 6.526 1.00 1.01 N1+ ATOM 503 NH2 ARG A 33 17.829 -3.336 8.571 1.00 0.84 N ATOM 0 H ARG A 33 13.206 2.634 5.855 1.00 0.25 H new ATOM 0 HA ARG A 33 13.521 -0.115 6.648 1.00 0.32 H new ATOM 0 HB2 ARG A 33 14.956 2.069 7.131 1.00 0.34 H new ATOM 0 HB3 ARG A 33 13.846 2.259 8.474 1.00 0.34 H new ATOM 0 HG2 ARG A 33 15.614 1.071 9.429 1.00 0.38 H new ATOM 0 HG3 ARG A 33 14.449 -0.191 9.080 1.00 0.38 H new ATOM 0 HD2 ARG A 33 15.670 -0.532 6.846 1.00 0.37 H new ATOM 0 HD3 ARG A 33 16.919 0.532 7.461 1.00 0.37 H new ATOM 0 HE ARG A 33 16.761 -1.283 9.483 1.00 0.36 H new ATOM 0 HH11 ARG A 33 16.980 -1.633 5.971 1.00 1.01 H new ATOM 0 HH12 ARG A 33 17.789 -3.201 6.062 1.00 1.01 H new ATOM 0 HH21 ARG A 33 17.803 -3.294 9.590 1.00 0.84 H new ATOM 0 HH22 ARG A 33 18.253 -4.138 8.104 1.00 0.84 H new ATOM 517 N LEU A 34 11.146 1.752 7.976 1.00 0.14 N ATOM 518 CA LEU A 34 9.928 1.697 8.778 1.00 0.15 C ATOM 519 C LEU A 34 8.804 0.999 8.018 1.00 0.16 C ATOM 520 O LEU A 34 7.834 0.532 8.617 1.00 0.17 O ATOM 521 CB LEU A 34 9.492 3.105 9.216 1.00 0.13 C ATOM 522 CG LEU A 34 9.043 4.051 8.096 1.00 0.07 C ATOM 523 CD1 LEU A 34 7.524 4.069 7.976 1.00 0.12 C ATOM 524 CD2 LEU A 34 9.574 5.453 8.343 1.00 0.04 C ATOM 0 H LEU A 34 11.333 2.660 7.550 1.00 0.14 H new ATOM 0 HA LEU A 34 10.146 1.115 9.673 1.00 0.15 H new ATOM 0 HB2 LEU A 34 8.674 3.004 9.929 1.00 0.13 H new ATOM 0 HB3 LEU A 34 10.322 3.571 9.747 1.00 0.13 H new ATOM 0 HG LEU A 34 9.453 3.684 7.155 1.00 0.07 H new ATOM 0 HD11 LEU A 34 7.230 4.747 7.175 1.00 0.12 H new ATOM 0 HD12 LEU A 34 7.165 3.065 7.751 1.00 0.12 H new ATOM 0 HD13 LEU A 34 7.089 4.408 8.916 1.00 0.12 H new ATOM 0 HD21 LEU A 34 9.247 6.113 7.539 1.00 0.04 H new ATOM 0 HD22 LEU A 34 9.193 5.824 9.295 1.00 0.04 H new ATOM 0 HD23 LEU A 34 10.663 5.430 8.372 1.00 0.04 H new ATOM 536 N VAL A 35 8.945 0.930 6.698 1.00 0.16 N ATOM 537 CA VAL A 35 7.950 0.284 5.850 1.00 0.16 C ATOM 538 C VAL A 35 7.782 -1.183 6.236 1.00 0.13 C ATOM 539 O VAL A 35 6.667 -1.708 6.268 1.00 0.12 O ATOM 540 CB VAL A 35 8.341 0.369 4.360 1.00 0.20 C ATOM 541 CG1 VAL A 35 7.367 -0.412 3.498 1.00 0.18 C ATOM 542 CG2 VAL A 35 8.393 1.812 3.899 1.00 0.25 C ATOM 0 H VAL A 35 9.742 1.315 6.191 1.00 0.16 H new ATOM 0 HA VAL A 35 7.008 0.812 6.000 1.00 0.16 H new ATOM 0 HB VAL A 35 9.332 -0.071 4.252 1.00 0.20 H new ATOM 0 HG11 VAL A 35 7.665 -0.336 2.452 1.00 0.18 H new ATOM 0 HG12 VAL A 35 7.371 -1.459 3.801 1.00 0.18 H new ATOM 0 HG13 VAL A 35 6.364 -0.003 3.620 1.00 0.18 H new ATOM 0 HG21 VAL A 35 8.671 1.848 2.846 1.00 0.25 H new ATOM 0 HG22 VAL A 35 7.414 2.272 4.032 1.00 0.25 H new ATOM 0 HG23 VAL A 35 9.132 2.356 4.488 1.00 0.25 H new ATOM 552 N ALA A 36 8.896 -1.830 6.544 1.00 0.14 N ATOM 553 CA ALA A 36 8.889 -3.234 6.928 1.00 0.15 C ATOM 554 C ALA A 36 8.022 -3.466 8.158 1.00 0.12 C ATOM 555 O ALA A 36 7.166 -4.350 8.170 1.00 0.11 O ATOM 556 CB ALA A 36 10.307 -3.713 7.186 1.00 0.18 C ATOM 0 H ALA A 36 9.822 -1.402 6.535 1.00 0.14 H new ATOM 0 HA ALA A 36 8.463 -3.807 6.104 1.00 0.15 H new ATOM 0 HB1 ALA A 36 10.289 -4.765 7.473 1.00 0.18 H new ATOM 0 HB2 ALA A 36 10.902 -3.594 6.280 1.00 0.18 H new ATOM 0 HB3 ALA A 36 10.749 -3.125 7.991 1.00 0.18 H new ATOM 562 N ALA A 37 8.228 -2.641 9.179 1.00 0.13 N ATOM 563 CA ALA A 37 7.475 -2.750 10.424 1.00 0.11 C ATOM 564 C ALA A 37 6.011 -2.388 10.208 1.00 0.14 C ATOM 565 O ALA A 37 5.127 -2.874 10.914 1.00 0.20 O ATOM 566 CB ALA A 37 8.095 -1.852 11.489 1.00 0.13 C ATOM 0 H ALA A 37 8.914 -1.886 9.169 1.00 0.13 H new ATOM 0 HA ALA A 37 7.519 -3.785 10.764 1.00 0.11 H new ATOM 0 HB1 ALA A 37 7.526 -1.940 12.415 1.00 0.13 H new ATOM 0 HB2 ALA A 37 9.126 -2.157 11.666 1.00 0.13 H new ATOM 0 HB3 ALA A 37 8.076 -0.817 11.148 1.00 0.13 H new ATOM 572 N PHE A 38 5.761 -1.534 9.222 1.00 0.15 N ATOM 573 CA PHE A 38 4.407 -1.104 8.900 1.00 0.21 C ATOM 574 C PHE A 38 3.589 -2.281 8.370 1.00 0.21 C ATOM 575 O PHE A 38 2.450 -2.501 8.788 1.00 0.28 O ATOM 576 CB PHE A 38 4.449 0.039 7.875 1.00 0.26 C ATOM 577 CG PHE A 38 3.097 0.494 7.388 1.00 0.34 C ATOM 578 CD1 PHE A 38 2.038 0.664 8.267 1.00 0.35 C ATOM 579 CD2 PHE A 38 2.893 0.755 6.042 1.00 0.41 C ATOM 580 CE1 PHE A 38 0.800 1.080 7.813 1.00 0.43 C ATOM 581 CE2 PHE A 38 1.657 1.173 5.583 1.00 0.50 C ATOM 582 CZ PHE A 38 0.610 1.335 6.469 1.00 0.50 C ATOM 0 H PHE A 38 6.483 -1.124 8.629 1.00 0.15 H new ATOM 0 HA PHE A 38 3.925 -0.737 9.806 1.00 0.21 H new ATOM 0 HB2 PHE A 38 4.966 0.890 8.320 1.00 0.26 H new ATOM 0 HB3 PHE A 38 5.041 -0.281 7.017 1.00 0.26 H new ATOM 0 HD1 PHE A 38 2.182 0.469 9.319 1.00 0.35 H new ATOM 0 HD2 PHE A 38 3.708 0.631 5.344 1.00 0.41 H new ATOM 0 HE1 PHE A 38 -0.017 1.205 8.508 1.00 0.43 H new ATOM 0 HE2 PHE A 38 1.511 1.373 4.532 1.00 0.50 H new ATOM 0 HZ PHE A 38 -0.356 1.661 6.111 1.00 0.50 H new ATOM 592 N VAL A 39 4.183 -3.047 7.466 1.00 0.16 N ATOM 593 CA VAL A 39 3.507 -4.198 6.884 1.00 0.17 C ATOM 594 C VAL A 39 3.505 -5.378 7.854 1.00 0.16 C ATOM 595 O VAL A 39 2.507 -6.089 7.972 1.00 0.18 O ATOM 596 CB VAL A 39 4.154 -4.620 5.545 1.00 0.15 C ATOM 597 CG1 VAL A 39 3.370 -5.752 4.896 1.00 0.17 C ATOM 598 CG2 VAL A 39 4.242 -3.428 4.605 1.00 0.15 C ATOM 0 H VAL A 39 5.130 -2.893 7.120 1.00 0.16 H new ATOM 0 HA VAL A 39 2.477 -3.900 6.687 1.00 0.17 H new ATOM 0 HB VAL A 39 5.162 -4.981 5.750 1.00 0.15 H new ATOM 0 HG11 VAL A 39 3.845 -6.031 3.955 1.00 0.17 H new ATOM 0 HG12 VAL A 39 3.354 -6.613 5.564 1.00 0.17 H new ATOM 0 HG13 VAL A 39 2.349 -5.423 4.703 1.00 0.17 H new ATOM 0 HG21 VAL A 39 4.699 -3.738 3.666 1.00 0.15 H new ATOM 0 HG22 VAL A 39 3.241 -3.043 4.411 1.00 0.15 H new ATOM 0 HG23 VAL A 39 4.849 -2.647 5.063 1.00 0.15 H new ATOM 608 N ASP A 40 4.621 -5.564 8.556 1.00 0.12 N ATOM 609 CA ASP A 40 4.764 -6.652 9.525 1.00 0.11 C ATOM 610 C ASP A 40 3.643 -6.617 10.565 1.00 0.12 C ATOM 611 O ASP A 40 2.976 -7.625 10.811 1.00 0.13 O ATOM 612 CB ASP A 40 6.132 -6.564 10.215 1.00 0.09 C ATOM 613 CG ASP A 40 6.337 -7.640 11.263 1.00 0.09 C ATOM 614 OD1 ASP A 40 6.802 -8.744 10.907 1.00 1.14 O1- ATOM 615 OD2 ASP A 40 6.048 -7.382 12.448 1.00 1.03 O ATOM 0 H ASP A 40 5.446 -4.971 8.471 1.00 0.12 H new ATOM 0 HA ASP A 40 4.694 -7.598 8.988 1.00 0.11 H new ATOM 0 HB2 ASP A 40 6.918 -6.642 9.463 1.00 0.09 H new ATOM 0 HB3 ASP A 40 6.235 -5.585 10.683 1.00 0.09 H new ATOM 620 N ASP A 41 3.429 -5.445 11.152 1.00 0.12 N ATOM 621 CA ASP A 41 2.388 -5.263 12.162 1.00 0.13 C ATOM 622 C ASP A 41 1.001 -5.465 11.560 1.00 0.09 C ATOM 623 O ASP A 41 0.151 -6.134 12.144 1.00 0.07 O ATOM 624 CB ASP A 41 2.490 -3.864 12.779 1.00 0.16 C ATOM 625 CG ASP A 41 1.299 -3.513 13.654 1.00 0.13 C ATOM 626 OD1 ASP A 41 0.962 -4.304 14.558 1.00 0.22 O ATOM 627 OD2 ASP A 41 0.700 -2.434 13.446 1.00 0.12 O1- ATOM 0 H ASP A 41 3.964 -4.602 10.946 1.00 0.12 H new ATOM 0 HA ASP A 41 2.537 -6.011 12.941 1.00 0.13 H new ATOM 0 HB2 ASP A 41 3.402 -3.801 13.373 1.00 0.16 H new ATOM 0 HB3 ASP A 41 2.578 -3.127 11.981 1.00 0.16 H new ATOM 632 N LYS A 42 0.792 -4.905 10.374 1.00 0.10 N ATOM 633 CA LYS A 42 -0.493 -5.008 9.692 1.00 0.11 C ATOM 634 C LYS A 42 -0.847 -6.464 9.392 1.00 0.03 C ATOM 635 O LYS A 42 -1.997 -6.880 9.527 1.00 0.07 O ATOM 636 CB LYS A 42 -0.473 -4.189 8.400 1.00 0.19 C ATOM 637 CG LYS A 42 -1.854 -3.950 7.810 1.00 0.26 C ATOM 638 CD LYS A 42 -1.957 -2.586 7.146 1.00 0.28 C ATOM 639 CE LYS A 42 -1.973 -1.458 8.171 1.00 0.31 C ATOM 640 NZ LYS A 42 -3.144 -1.546 9.084 1.00 0.38 N1+ ATOM 0 H LYS A 42 1.498 -4.374 9.864 1.00 0.10 H new ATOM 0 HA LYS A 42 -1.259 -4.607 10.355 1.00 0.11 H new ATOM 0 HB2 LYS A 42 0.000 -3.227 8.597 1.00 0.19 H new ATOM 0 HB3 LYS A 42 0.144 -4.703 7.663 1.00 0.19 H new ATOM 0 HG2 LYS A 42 -2.076 -4.728 7.079 1.00 0.26 H new ATOM 0 HG3 LYS A 42 -2.604 -4.028 8.597 1.00 0.26 H new ATOM 0 HD2 LYS A 42 -1.116 -2.448 6.467 1.00 0.28 H new ATOM 0 HD3 LYS A 42 -2.864 -2.543 6.543 1.00 0.28 H new ATOM 0 HE2 LYS A 42 -1.054 -1.489 8.757 1.00 0.31 H new ATOM 0 HE3 LYS A 42 -1.989 -0.499 7.653 1.00 0.31 H new ATOM 0 HZ1 LYS A 42 -3.469 -0.588 9.325 1.00 0.38 H new ATOM 0 HZ2 LYS A 42 -3.913 -2.064 8.613 1.00 0.38 H new ATOM 0 HZ3 LYS A 42 -2.870 -2.048 9.953 1.00 0.38 H new ATOM 654 N MET A 43 0.150 -7.245 9.001 1.00 0.07 N ATOM 655 CA MET A 43 -0.062 -8.654 8.686 1.00 0.12 C ATOM 656 C MET A 43 -0.336 -9.462 9.950 1.00 0.16 C ATOM 657 O MET A 43 -0.866 -10.568 9.885 1.00 0.35 O ATOM 658 CB MET A 43 1.148 -9.236 7.951 1.00 0.18 C ATOM 659 CG MET A 43 1.305 -8.731 6.526 1.00 0.16 C ATOM 660 SD MET A 43 2.716 -9.471 5.678 1.00 0.26 S ATOM 661 CE MET A 43 2.156 -11.161 5.484 1.00 0.29 C ATOM 0 H MET A 43 1.114 -6.929 8.894 1.00 0.07 H new ATOM 0 HA MET A 43 -0.934 -8.718 8.035 1.00 0.12 H new ATOM 0 HB2 MET A 43 2.051 -8.997 8.512 1.00 0.18 H new ATOM 0 HB3 MET A 43 1.062 -10.322 7.934 1.00 0.18 H new ATOM 0 HG2 MET A 43 0.395 -8.947 5.966 1.00 0.16 H new ATOM 0 HG3 MET A 43 1.421 -7.647 6.539 1.00 0.16 H new ATOM 0 HE1 MET A 43 2.764 -11.661 4.730 1.00 0.29 H new ATOM 0 HE2 MET A 43 2.251 -11.687 6.434 1.00 0.29 H new ATOM 0 HE3 MET A 43 1.112 -11.165 5.170 1.00 0.29 H new ATOM 671 N HIS A 44 0.019 -8.902 11.094 1.00 0.02 N ATOM 672 CA HIS A 44 -0.182 -9.576 12.368 1.00 0.04 C ATOM 673 C HIS A 44 -1.505 -9.151 13.015 1.00 0.05 C ATOM 674 O HIS A 44 -1.926 -9.719 14.023 1.00 0.20 O ATOM 675 CB HIS A 44 1.001 -9.275 13.301 1.00 0.08 C ATOM 676 CG HIS A 44 0.940 -9.973 14.628 1.00 0.11 C ATOM 677 ND1 HIS A 44 0.984 -9.302 15.827 1.00 0.27 N ATOM 678 CD2 HIS A 44 0.834 -11.288 14.936 1.00 0.29 C ATOM 679 CE1 HIS A 44 0.913 -10.170 16.816 1.00 0.38 C ATOM 680 NE2 HIS A 44 0.818 -11.381 16.305 1.00 0.40 N ATOM 0 H HIS A 44 0.449 -7.980 11.168 1.00 0.02 H new ATOM 0 HA HIS A 44 -0.234 -10.650 12.191 1.00 0.04 H new ATOM 0 HB2 HIS A 44 1.925 -9.558 12.798 1.00 0.08 H new ATOM 0 HB3 HIS A 44 1.048 -8.200 13.472 1.00 0.08 H new ATOM 0 HD2 HIS A 44 0.774 -12.108 14.236 1.00 0.29 H new ATOM 0 HE1 HIS A 44 0.930 -9.929 17.869 1.00 0.38 H new ATOM 0 HE2 HIS A 44 0.745 -12.246 16.840 1.00 0.40 H new ATOM 689 N GLU A 45 -2.166 -8.162 12.432 1.00 0.16 N ATOM 690 CA GLU A 45 -3.433 -7.678 12.976 1.00 0.15 C ATOM 691 C GLU A 45 -4.626 -8.198 12.173 1.00 0.15 C ATOM 692 O GLU A 45 -5.761 -8.173 12.652 1.00 0.17 O ATOM 693 CB GLU A 45 -3.447 -6.146 13.007 1.00 0.12 C ATOM 694 CG GLU A 45 -3.740 -5.517 11.653 1.00 0.09 C ATOM 695 CD GLU A 45 -3.814 -4.010 11.708 1.00 0.12 C ATOM 696 OE1 GLU A 45 -4.672 -3.482 12.443 1.00 0.16 O ATOM 697 OE2 GLU A 45 -3.031 -3.348 11.000 1.00 0.21 O1- ATOM 0 H GLU A 45 -1.852 -7.680 11.589 1.00 0.16 H new ATOM 0 HA GLU A 45 -3.523 -8.059 13.993 1.00 0.15 H new ATOM 0 HB2 GLU A 45 -4.196 -5.811 13.725 1.00 0.12 H new ATOM 0 HB3 GLU A 45 -2.481 -5.788 13.364 1.00 0.12 H new ATOM 0 HG2 GLU A 45 -2.965 -5.812 10.946 1.00 0.09 H new ATOM 0 HG3 GLU A 45 -4.684 -5.908 11.273 1.00 0.09 H new ATOM 704 N PHE A 46 -4.379 -8.660 10.953 1.00 0.15 N ATOM 705 CA PHE A 46 -5.454 -9.161 10.106 1.00 0.14 C ATOM 706 C PHE A 46 -5.370 -10.673 9.909 1.00 0.16 C ATOM 707 O PHE A 46 -6.219 -11.263 9.243 1.00 0.17 O ATOM 708 CB PHE A 46 -5.444 -8.451 8.748 1.00 0.14 C ATOM 709 CG PHE A 46 -5.871 -7.011 8.821 1.00 0.15 C ATOM 710 CD1 PHE A 46 -7.094 -6.665 9.374 1.00 0.13 C ATOM 711 CD2 PHE A 46 -5.048 -6.003 8.346 1.00 0.18 C ATOM 712 CE1 PHE A 46 -7.487 -5.342 9.451 1.00 0.14 C ATOM 713 CE2 PHE A 46 -5.435 -4.679 8.419 1.00 0.19 C ATOM 714 CZ PHE A 46 -6.656 -4.348 8.972 1.00 0.17 C ATOM 0 H PHE A 46 -3.451 -8.698 10.531 1.00 0.15 H new ATOM 0 HA PHE A 46 -6.393 -8.946 10.616 1.00 0.14 H new ATOM 0 HB2 PHE A 46 -4.440 -8.503 8.327 1.00 0.14 H new ATOM 0 HB3 PHE A 46 -6.105 -8.983 8.064 1.00 0.14 H new ATOM 0 HD1 PHE A 46 -7.748 -7.438 9.749 1.00 0.13 H new ATOM 0 HD2 PHE A 46 -4.091 -6.256 7.913 1.00 0.18 H new ATOM 0 HE1 PHE A 46 -8.442 -5.086 9.885 1.00 0.14 H new ATOM 0 HE2 PHE A 46 -4.783 -3.904 8.044 1.00 0.19 H new ATOM 0 HZ PHE A 46 -6.961 -3.314 9.030 1.00 0.17 H new ATOM 724 N SER A 47 -4.366 -11.298 10.508 1.00 0.21 N ATOM 725 CA SER A 47 -4.183 -12.741 10.397 1.00 0.23 C ATOM 726 C SER A 47 -5.329 -13.487 11.081 1.00 0.21 C ATOM 727 O SER A 47 -5.692 -14.594 10.686 1.00 0.32 O ATOM 728 CB SER A 47 -2.845 -13.121 11.022 1.00 0.25 C ATOM 729 OG SER A 47 -2.477 -12.176 12.020 1.00 0.76 O ATOM 0 H SER A 47 -3.663 -10.828 11.078 1.00 0.21 H new ATOM 0 HA SER A 47 -4.186 -13.025 9.345 1.00 0.23 H new ATOM 0 HB2 SER A 47 -2.911 -14.116 11.462 1.00 0.25 H new ATOM 0 HB3 SER A 47 -2.075 -13.164 10.251 1.00 0.25 H new ATOM 0 HG SER A 47 -1.617 -12.434 12.413 1.00 0.76 H new ATOM 735 N GLU A 48 -5.902 -12.848 12.096 1.00 0.09 N ATOM 736 CA GLU A 48 -7.004 -13.422 12.861 1.00 0.08 C ATOM 737 C GLU A 48 -8.305 -13.449 12.062 1.00 0.10 C ATOM 738 O GLU A 48 -9.248 -14.143 12.433 1.00 0.07 O ATOM 739 CB GLU A 48 -7.220 -12.622 14.146 1.00 0.11 C ATOM 740 CG GLU A 48 -7.438 -11.131 13.904 1.00 0.06 C ATOM 741 CD GLU A 48 -8.466 -10.521 14.836 1.00 0.28 C ATOM 742 OE1 GLU A 48 -8.140 -10.291 16.020 1.00 0.61 O ATOM 743 OE2 GLU A 48 -9.604 -10.258 14.384 1.00 0.49 O1- ATOM 0 H GLU A 48 -5.617 -11.921 12.411 1.00 0.09 H new ATOM 0 HA GLU A 48 -6.732 -14.450 13.098 1.00 0.08 H new ATOM 0 HB2 GLU A 48 -8.083 -13.026 14.676 1.00 0.11 H new ATOM 0 HB3 GLU A 48 -6.356 -12.754 14.797 1.00 0.11 H new ATOM 0 HG2 GLU A 48 -6.490 -10.607 14.026 1.00 0.06 H new ATOM 0 HG3 GLU A 48 -7.756 -10.979 12.873 1.00 0.06 H new ATOM 750 N LYS A 49 -8.359 -12.696 10.973 1.00 0.14 N ATOM 751 CA LYS A 49 -9.565 -12.639 10.153 1.00 0.18 C ATOM 752 C LYS A 49 -9.740 -13.919 9.346 1.00 0.27 C ATOM 753 O LYS A 49 -10.847 -14.455 9.269 1.00 0.38 O ATOM 754 CB LYS A 49 -9.523 -11.423 9.220 1.00 0.12 C ATOM 755 CG LYS A 49 -9.318 -10.092 9.935 1.00 0.20 C ATOM 756 CD LYS A 49 -10.387 -9.842 10.989 1.00 0.43 C ATOM 757 CE LYS A 49 -10.248 -8.466 11.623 1.00 0.64 C ATOM 758 NZ LYS A 49 -11.004 -8.369 12.899 1.00 0.88 N1+ ATOM 0 H LYS A 49 -7.588 -12.119 10.636 1.00 0.14 H new ATOM 0 HA LYS A 49 -10.421 -12.539 10.821 1.00 0.18 H new ATOM 0 HB2 LYS A 49 -8.719 -11.562 8.497 1.00 0.12 H new ATOM 0 HB3 LYS A 49 -10.455 -11.380 8.656 1.00 0.12 H new ATOM 0 HG2 LYS A 49 -8.335 -10.081 10.406 1.00 0.20 H new ATOM 0 HG3 LYS A 49 -9.332 -9.282 9.205 1.00 0.20 H new ATOM 0 HD2 LYS A 49 -11.373 -9.934 10.535 1.00 0.43 H new ATOM 0 HD3 LYS A 49 -10.320 -10.607 11.763 1.00 0.43 H new ATOM 0 HE2 LYS A 49 -9.195 -8.255 11.807 1.00 0.64 H new ATOM 0 HE3 LYS A 49 -10.608 -7.707 10.928 1.00 0.64 H new ATOM 0 HZ1 LYS A 49 -10.941 -7.398 13.267 1.00 0.88 H new ATOM 0 HZ2 LYS A 49 -12.001 -8.612 12.731 1.00 0.88 H new ATOM 0 HZ3 LYS A 49 -10.599 -9.029 13.593 1.00 0.88 H new ATOM 772 N GLN A 50 -8.643 -14.408 8.766 1.00 0.30 N ATOM 773 CA GLN A 50 -8.659 -15.630 7.960 1.00 0.41 C ATOM 774 C GLN A 50 -9.727 -15.555 6.863 1.00 0.29 C ATOM 775 O GLN A 50 -10.758 -16.224 6.951 1.00 0.47 O ATOM 776 CB GLN A 50 -8.914 -16.848 8.850 1.00 0.63 C ATOM 777 CG GLN A 50 -7.897 -17.015 9.966 1.00 0.78 C ATOM 778 CD GLN A 50 -8.516 -17.557 11.239 1.00 0.93 C ATOM 779 OE1 GLN A 50 -9.686 -17.306 11.536 1.00 0.94 O ATOM 780 NE2 GLN A 50 -7.739 -18.310 12.001 1.00 1.07 N ATOM 0 H GLN A 50 -7.724 -13.972 8.841 1.00 0.30 H new ATOM 0 HA GLN A 50 -7.684 -15.730 7.483 1.00 0.41 H new ATOM 0 HB2 GLN A 50 -9.909 -16.765 9.287 1.00 0.63 H new ATOM 0 HB3 GLN A 50 -8.911 -17.745 8.231 1.00 0.63 H new ATOM 0 HG2 GLN A 50 -7.106 -17.688 9.635 1.00 0.78 H new ATOM 0 HG3 GLN A 50 -7.430 -16.053 10.174 1.00 0.78 H new ATOM 0 HE21 GLN A 50 -6.776 -18.495 11.721 1.00 1.07 H new ATOM 0 HE22 GLN A 50 -8.103 -18.705 12.868 1.00 1.07 H new ATOM 789 N PRO A 51 -9.489 -14.737 5.816 1.00 0.11 N ATOM 790 CA PRO A 51 -10.441 -14.557 4.714 1.00 0.09 C ATOM 791 C PRO A 51 -10.859 -15.876 4.058 1.00 0.05 C ATOM 792 O PRO A 51 -12.013 -16.291 4.165 1.00 0.20 O ATOM 793 CB PRO A 51 -9.688 -13.669 3.706 1.00 0.32 C ATOM 794 CG PRO A 51 -8.264 -13.663 4.153 1.00 0.44 C ATOM 795 CD PRO A 51 -8.284 -13.912 5.633 1.00 0.34 C ATOM 0 HA PRO A 51 -11.372 -14.118 5.072 1.00 0.09 H new ATOM 0 HB2 PRO A 51 -9.778 -14.063 2.694 1.00 0.32 H new ATOM 0 HB3 PRO A 51 -10.098 -12.659 3.692 1.00 0.32 H new ATOM 0 HG2 PRO A 51 -7.692 -14.434 3.637 1.00 0.44 H new ATOM 0 HG3 PRO A 51 -7.790 -12.708 3.926 1.00 0.44 H new ATOM 0 HD2 PRO A 51 -7.385 -14.431 5.967 1.00 0.34 H new ATOM 0 HD3 PRO A 51 -8.343 -12.982 6.198 1.00 0.34 H new ATOM 803 N MET A 52 -9.920 -16.539 3.389 1.00 0.10 N ATOM 804 CA MET A 52 -10.218 -17.800 2.715 1.00 0.14 C ATOM 805 C MET A 52 -9.533 -18.979 3.399 1.00 0.14 C ATOM 806 O MET A 52 -9.679 -20.118 2.961 1.00 0.16 O ATOM 807 CB MET A 52 -9.798 -17.725 1.247 1.00 0.25 C ATOM 808 CG MET A 52 -10.439 -16.565 0.498 1.00 0.17 C ATOM 809 SD MET A 52 -12.240 -16.569 0.627 1.00 0.22 S ATOM 810 CE MET A 52 -12.617 -14.853 0.270 1.00 1.11 C ATOM 0 H MET A 52 -8.953 -16.227 3.299 1.00 0.10 H new ATOM 0 HA MET A 52 -11.294 -17.962 2.773 1.00 0.14 H new ATOM 0 HB2 MET A 52 -8.714 -17.631 1.191 1.00 0.25 H new ATOM 0 HB3 MET A 52 -10.063 -18.659 0.752 1.00 0.25 H new ATOM 0 HG2 MET A 52 -10.052 -15.625 0.891 1.00 0.17 H new ATOM 0 HG3 MET A 52 -10.153 -16.613 -0.553 1.00 0.17 H new ATOM 0 HE1 MET A 52 -12.952 -14.357 1.181 1.00 1.11 H new ATOM 0 HE2 MET A 52 -11.724 -14.355 -0.106 1.00 1.11 H new ATOM 0 HE3 MET A 52 -13.405 -14.802 -0.482 1.00 1.11 H new ATOM 820 N LEU A 53 -8.800 -18.690 4.473 1.00 0.15 N ATOM 821 CA LEU A 53 -8.092 -19.716 5.250 1.00 0.17 C ATOM 822 C LEU A 53 -7.130 -20.543 4.390 1.00 0.20 C ATOM 823 O LEU A 53 -7.419 -21.689 4.046 1.00 0.41 O ATOM 824 CB LEU A 53 -9.095 -20.636 5.953 1.00 0.19 C ATOM 825 CG LEU A 53 -9.956 -19.959 7.019 1.00 0.36 C ATOM 826 CD1 LEU A 53 -11.426 -20.266 6.793 1.00 0.31 C ATOM 827 CD2 LEU A 53 -9.527 -20.408 8.407 1.00 0.51 C ATOM 0 H LEU A 53 -8.678 -17.743 4.831 1.00 0.15 H new ATOM 0 HA LEU A 53 -7.491 -19.195 5.995 1.00 0.17 H new ATOM 0 HB2 LEU A 53 -9.752 -21.074 5.201 1.00 0.19 H new ATOM 0 HB3 LEU A 53 -8.549 -21.457 6.417 1.00 0.19 H new ATOM 0 HG LEU A 53 -9.816 -18.881 6.943 1.00 0.36 H new ATOM 0 HD11 LEU A 53 -12.023 -19.775 7.562 1.00 0.31 H new ATOM 0 HD12 LEU A 53 -11.727 -19.900 5.811 1.00 0.31 H new ATOM 0 HD13 LEU A 53 -11.585 -21.343 6.843 1.00 0.31 H new ATOM 0 HD21 LEU A 53 -10.149 -19.918 9.156 1.00 0.51 H new ATOM 0 HD22 LEU A 53 -9.641 -21.489 8.491 1.00 0.51 H new ATOM 0 HD23 LEU A 53 -8.483 -20.140 8.570 1.00 0.51 H new ATOM 839 N ASP A 54 -5.981 -19.960 4.063 1.00 0.04 N ATOM 840 CA ASP A 54 -4.967 -20.643 3.260 1.00 0.08 C ATOM 841 C ASP A 54 -3.567 -20.236 3.734 1.00 0.06 C ATOM 842 O ASP A 54 -3.099 -20.741 4.750 1.00 0.07 O ATOM 843 CB ASP A 54 -5.142 -20.342 1.761 1.00 0.12 C ATOM 844 CG ASP A 54 -6.233 -21.156 1.103 1.00 0.14 C ATOM 845 OD1 ASP A 54 -6.075 -22.386 0.987 1.00 0.47 O1- ATOM 846 OD2 ASP A 54 -7.236 -20.553 0.669 1.00 0.21 O ATOM 0 H ASP A 54 -5.726 -19.013 4.342 1.00 0.04 H new ATOM 0 HA ASP A 54 -5.090 -21.718 3.394 1.00 0.08 H new ATOM 0 HB2 ASP A 54 -5.365 -19.282 1.635 1.00 0.12 H new ATOM 0 HB3 ASP A 54 -4.199 -20.532 1.248 1.00 0.12 H new ATOM 851 N VAL A 55 -2.938 -19.282 3.033 1.00 0.06 N ATOM 852 CA VAL A 55 -1.595 -18.787 3.357 1.00 0.07 C ATOM 853 C VAL A 55 -1.373 -17.430 2.660 1.00 0.06 C ATOM 854 O VAL A 55 -1.290 -16.405 3.336 1.00 0.06 O ATOM 855 CB VAL A 55 -0.444 -19.777 2.973 1.00 0.09 C ATOM 856 CG1 VAL A 55 0.897 -19.058 2.911 1.00 0.08 C ATOM 857 CG2 VAL A 55 -0.339 -20.935 3.953 1.00 0.13 C ATOM 0 H VAL A 55 -3.352 -18.829 2.218 1.00 0.06 H new ATOM 0 HA VAL A 55 -1.552 -18.682 4.441 1.00 0.07 H new ATOM 0 HB VAL A 55 -0.693 -20.174 1.989 1.00 0.09 H new ATOM 0 HG11 VAL A 55 1.679 -19.769 2.642 1.00 0.08 H new ATOM 0 HG12 VAL A 55 0.852 -18.268 2.162 1.00 0.08 H new ATOM 0 HG13 VAL A 55 1.122 -18.622 3.885 1.00 0.08 H new ATOM 0 HG21 VAL A 55 0.472 -21.597 3.649 1.00 0.13 H new ATOM 0 HG22 VAL A 55 -0.137 -20.549 4.952 1.00 0.13 H new ATOM 0 HG23 VAL A 55 -1.277 -21.490 3.962 1.00 0.13 H new ATOM 867 N PRO A 56 -1.313 -17.371 1.297 1.00 0.05 N ATOM 868 CA PRO A 56 -1.106 -16.102 0.586 1.00 0.04 C ATOM 869 C PRO A 56 -2.358 -15.233 0.567 1.00 0.04 C ATOM 870 O PRO A 56 -2.314 -14.070 0.174 1.00 0.04 O ATOM 871 CB PRO A 56 -0.750 -16.543 -0.832 1.00 0.05 C ATOM 872 CG PRO A 56 -1.464 -17.831 -1.002 1.00 0.06 C ATOM 873 CD PRO A 56 -1.401 -18.507 0.339 1.00 0.06 C ATOM 0 HA PRO A 56 -0.341 -15.491 1.065 1.00 0.04 H new ATOM 0 HB2 PRO A 56 -1.072 -15.809 -1.570 1.00 0.05 H new ATOM 0 HB3 PRO A 56 0.326 -16.665 -0.953 1.00 0.05 H new ATOM 0 HG2 PRO A 56 -2.497 -17.669 -1.311 1.00 0.06 H new ATOM 0 HG3 PRO A 56 -0.993 -18.442 -1.772 1.00 0.06 H new ATOM 0 HD2 PRO A 56 -2.284 -19.119 0.522 1.00 0.06 H new ATOM 0 HD3 PRO A 56 -0.536 -19.165 0.416 1.00 0.06 H new ATOM 881 N LYS A 57 -3.468 -15.805 1.015 1.00 0.05 N ATOM 882 CA LYS A 57 -4.742 -15.094 1.039 1.00 0.05 C ATOM 883 C LYS A 57 -4.724 -13.978 2.085 1.00 0.06 C ATOM 884 O LYS A 57 -5.597 -13.114 2.099 1.00 0.08 O ATOM 885 CB LYS A 57 -5.895 -16.067 1.319 1.00 0.06 C ATOM 886 CG LYS A 57 -5.857 -17.332 0.468 1.00 0.09 C ATOM 887 CD LYS A 57 -6.091 -17.050 -1.007 1.00 0.11 C ATOM 888 CE LYS A 57 -7.389 -17.671 -1.503 1.00 0.12 C ATOM 889 NZ LYS A 57 -7.307 -19.155 -1.594 1.00 0.10 N1+ ATOM 0 H LYS A 57 -3.513 -16.761 1.368 1.00 0.05 H new ATOM 0 HA LYS A 57 -4.896 -14.642 0.059 1.00 0.05 H new ATOM 0 HB2 LYS A 57 -5.872 -16.348 2.372 1.00 0.06 H new ATOM 0 HB3 LYS A 57 -6.841 -15.553 1.147 1.00 0.06 H new ATOM 0 HG2 LYS A 57 -4.890 -17.820 0.592 1.00 0.09 H new ATOM 0 HG3 LYS A 57 -6.615 -18.029 0.826 1.00 0.09 H new ATOM 0 HD2 LYS A 57 -6.118 -15.973 -1.171 1.00 0.11 H new ATOM 0 HD3 LYS A 57 -5.256 -17.441 -1.589 1.00 0.11 H new ATOM 0 HE2 LYS A 57 -8.201 -17.395 -0.831 1.00 0.12 H new ATOM 0 HE3 LYS A 57 -7.633 -17.262 -2.483 1.00 0.12 H new ATOM 0 HZ1 LYS A 57 -8.049 -19.505 -2.233 1.00 0.10 H new ATOM 0 HZ2 LYS A 57 -6.374 -19.429 -1.964 1.00 0.10 H new ATOM 0 HZ3 LYS A 57 -7.440 -19.569 -0.649 1.00 0.10 H new ATOM 903 N LEU A 58 -3.729 -14.011 2.960 1.00 0.05 N ATOM 904 CA LEU A 58 -3.591 -13.003 4.001 1.00 0.06 C ATOM 905 C LEU A 58 -2.698 -11.866 3.507 1.00 0.06 C ATOM 906 O LEU A 58 -2.970 -10.693 3.757 1.00 0.08 O ATOM 907 CB LEU A 58 -3.014 -13.647 5.279 1.00 0.06 C ATOM 908 CG LEU A 58 -2.904 -12.761 6.542 1.00 0.11 C ATOM 909 CD1 LEU A 58 -1.609 -11.960 6.542 1.00 0.07 C ATOM 910 CD2 LEU A 58 -4.103 -11.831 6.689 1.00 0.17 C ATOM 0 H LEU A 58 -3.003 -14.728 2.969 1.00 0.05 H new ATOM 0 HA LEU A 58 -4.570 -12.588 4.239 1.00 0.06 H new ATOM 0 HB2 LEU A 58 -3.631 -14.511 5.528 1.00 0.06 H new ATOM 0 HB3 LEU A 58 -2.018 -14.023 5.045 1.00 0.06 H new ATOM 0 HG LEU A 58 -2.895 -13.432 7.401 1.00 0.11 H new ATOM 0 HD11 LEU A 58 -1.560 -11.347 7.442 1.00 0.07 H new ATOM 0 HD12 LEU A 58 -0.759 -12.642 6.521 1.00 0.07 H new ATOM 0 HD13 LEU A 58 -1.579 -11.317 5.663 1.00 0.07 H new ATOM 0 HD21 LEU A 58 -3.986 -11.226 7.588 1.00 0.17 H new ATOM 0 HD22 LEU A 58 -4.166 -11.178 5.818 1.00 0.17 H new ATOM 0 HD23 LEU A 58 -5.015 -12.423 6.765 1.00 0.17 H new ATOM 922 N ALA A 59 -1.651 -12.227 2.777 1.00 0.05 N ATOM 923 CA ALA A 59 -0.701 -11.250 2.252 1.00 0.06 C ATOM 924 C ALA A 59 -1.361 -10.302 1.252 1.00 0.08 C ATOM 925 O ALA A 59 -1.003 -9.127 1.171 1.00 0.11 O ATOM 926 CB ALA A 59 0.479 -11.967 1.619 1.00 0.06 C ATOM 0 H ALA A 59 -1.436 -13.194 2.533 1.00 0.05 H new ATOM 0 HA ALA A 59 -0.344 -10.642 3.083 1.00 0.06 H new ATOM 0 HB1 ALA A 59 1.184 -11.233 1.229 1.00 0.06 H new ATOM 0 HB2 ALA A 59 0.975 -12.584 2.369 1.00 0.06 H new ATOM 0 HB3 ALA A 59 0.126 -12.599 0.804 1.00 0.06 H new ATOM 932 N VAL A 60 -2.318 -10.812 0.486 1.00 0.05 N ATOM 933 CA VAL A 60 -3.025 -9.978 -0.486 1.00 0.07 C ATOM 934 C VAL A 60 -4.056 -9.110 0.223 1.00 0.07 C ATOM 935 O VAL A 60 -4.392 -8.016 -0.238 1.00 0.08 O ATOM 936 CB VAL A 60 -3.741 -10.793 -1.592 1.00 0.07 C ATOM 937 CG1 VAL A 60 -2.743 -11.562 -2.440 1.00 0.07 C ATOM 938 CG2 VAL A 60 -4.771 -11.737 -0.999 1.00 0.08 C ATOM 0 H VAL A 60 -2.621 -11.785 0.515 1.00 0.05 H new ATOM 0 HA VAL A 60 -2.263 -9.367 -0.969 1.00 0.07 H new ATOM 0 HB VAL A 60 -4.260 -10.083 -2.236 1.00 0.07 H new ATOM 0 HG11 VAL A 60 -3.275 -12.124 -3.208 1.00 0.07 H new ATOM 0 HG12 VAL A 60 -2.054 -10.863 -2.914 1.00 0.07 H new ATOM 0 HG13 VAL A 60 -2.183 -12.251 -1.808 1.00 0.07 H new ATOM 0 HG21 VAL A 60 -5.257 -12.295 -1.800 1.00 0.08 H new ATOM 0 HG22 VAL A 60 -4.279 -12.432 -0.319 1.00 0.08 H new ATOM 0 HG23 VAL A 60 -5.519 -11.163 -0.452 1.00 0.08 H new ATOM 948 N LEU A 61 -4.541 -9.605 1.358 1.00 0.07 N ATOM 949 CA LEU A 61 -5.533 -8.898 2.153 1.00 0.08 C ATOM 950 C LEU A 61 -4.949 -7.599 2.687 1.00 0.08 C ATOM 951 O LEU A 61 -5.606 -6.559 2.689 1.00 0.08 O ATOM 952 CB LEU A 61 -6.002 -9.782 3.314 1.00 0.10 C ATOM 953 CG LEU A 61 -7.158 -9.219 4.143 1.00 0.10 C ATOM 954 CD1 LEU A 61 -8.476 -9.389 3.406 1.00 0.11 C ATOM 955 CD2 LEU A 61 -7.216 -9.898 5.504 1.00 0.07 C ATOM 0 H LEU A 61 -4.257 -10.503 1.749 1.00 0.07 H new ATOM 0 HA LEU A 61 -6.389 -8.663 1.520 1.00 0.08 H new ATOM 0 HB2 LEU A 61 -6.303 -10.750 2.913 1.00 0.10 H new ATOM 0 HB3 LEU A 61 -5.155 -9.961 3.977 1.00 0.10 H new ATOM 0 HG LEU A 61 -6.986 -8.154 4.296 1.00 0.10 H new ATOM 0 HD11 LEU A 61 -9.286 -8.983 4.011 1.00 0.11 H new ATOM 0 HD12 LEU A 61 -8.432 -8.858 2.455 1.00 0.11 H new ATOM 0 HD13 LEU A 61 -8.656 -10.448 3.222 1.00 0.11 H new ATOM 0 HD21 LEU A 61 -8.044 -9.486 6.081 1.00 0.07 H new ATOM 0 HD22 LEU A 61 -7.365 -10.969 5.370 1.00 0.07 H new ATOM 0 HD23 LEU A 61 -6.281 -9.725 6.037 1.00 0.07 H new ATOM 967 N THR A 62 -3.708 -7.661 3.130 1.00 0.10 N ATOM 968 CA THR A 62 -3.038 -6.493 3.657 1.00 0.11 C ATOM 969 C THR A 62 -2.623 -5.549 2.532 1.00 0.10 C ATOM 970 O THR A 62 -2.708 -4.331 2.673 1.00 0.13 O ATOM 971 CB THR A 62 -1.803 -6.901 4.481 1.00 0.13 C ATOM 972 OG1 THR A 62 -1.099 -7.952 3.806 1.00 0.12 O ATOM 973 CG2 THR A 62 -2.206 -7.378 5.870 1.00 0.15 C ATOM 0 H THR A 62 -3.144 -8.511 3.134 1.00 0.10 H new ATOM 0 HA THR A 62 -3.740 -5.971 4.308 1.00 0.11 H new ATOM 0 HB THR A 62 -1.159 -6.028 4.586 1.00 0.13 H new ATOM 0 HG1 THR A 62 -0.143 -7.893 4.015 1.00 0.12 H new ATOM 0 HG21 THR A 62 -1.315 -7.660 6.431 1.00 0.15 H new ATOM 0 HG22 THR A 62 -2.725 -6.576 6.394 1.00 0.15 H new ATOM 0 HG23 THR A 62 -2.867 -8.240 5.781 1.00 0.15 H new ATOM 981 N ALA A 63 -2.199 -6.124 1.411 1.00 0.08 N ATOM 982 CA ALA A 63 -1.763 -5.340 0.259 1.00 0.08 C ATOM 983 C ALA A 63 -2.880 -4.441 -0.259 1.00 0.07 C ATOM 984 O ALA A 63 -2.680 -3.245 -0.474 1.00 0.08 O ATOM 985 CB ALA A 63 -1.274 -6.265 -0.850 1.00 0.08 C ATOM 0 H ALA A 63 -2.148 -7.134 1.275 1.00 0.08 H new ATOM 0 HA ALA A 63 -0.942 -4.700 0.581 1.00 0.08 H new ATOM 0 HB1 ALA A 63 -0.951 -5.670 -1.704 1.00 0.08 H new ATOM 0 HB2 ALA A 63 -0.437 -6.860 -0.485 1.00 0.08 H new ATOM 0 HB3 ALA A 63 -2.084 -6.928 -1.155 1.00 0.08 H new ATOM 991 N VAL A 64 -4.060 -5.017 -0.429 1.00 0.07 N ATOM 992 CA VAL A 64 -5.203 -4.276 -0.939 1.00 0.08 C ATOM 993 C VAL A 64 -5.700 -3.224 0.060 1.00 0.09 C ATOM 994 O VAL A 64 -6.216 -2.184 -0.344 1.00 0.12 O ATOM 995 CB VAL A 64 -6.353 -5.231 -1.343 1.00 0.08 C ATOM 996 CG1 VAL A 64 -6.969 -5.908 -0.129 1.00 0.05 C ATOM 997 CG2 VAL A 64 -7.414 -4.498 -2.148 1.00 0.12 C ATOM 0 H VAL A 64 -4.251 -5.997 -0.221 1.00 0.07 H new ATOM 0 HA VAL A 64 -4.865 -3.747 -1.830 1.00 0.08 H new ATOM 0 HB VAL A 64 -5.924 -6.009 -1.974 1.00 0.08 H new ATOM 0 HG11 VAL A 64 -7.772 -6.571 -0.451 1.00 0.05 H new ATOM 0 HG12 VAL A 64 -6.206 -6.488 0.390 1.00 0.05 H new ATOM 0 HG13 VAL A 64 -7.371 -5.151 0.545 1.00 0.05 H new ATOM 0 HG21 VAL A 64 -8.210 -5.192 -2.419 1.00 0.12 H new ATOM 0 HG22 VAL A 64 -7.828 -3.686 -1.550 1.00 0.12 H new ATOM 0 HG23 VAL A 64 -6.966 -4.089 -3.054 1.00 0.12 H new ATOM 1007 N GLN A 65 -5.524 -3.479 1.356 1.00 0.08 N ATOM 1008 CA GLN A 65 -5.964 -2.534 2.380 1.00 0.09 C ATOM 1009 C GLN A 65 -4.975 -1.377 2.522 1.00 0.07 C ATOM 1010 O GLN A 65 -5.370 -0.240 2.783 1.00 0.12 O ATOM 1011 CB GLN A 65 -6.153 -3.236 3.725 1.00 0.10 C ATOM 1012 CG GLN A 65 -7.347 -4.184 3.751 1.00 0.10 C ATOM 1013 CD GLN A 65 -7.734 -4.601 5.156 1.00 0.24 C ATOM 1014 OE1 GLN A 65 -7.654 -3.812 6.093 1.00 0.81 O ATOM 1015 NE2 GLN A 65 -8.155 -5.846 5.313 1.00 0.31 N ATOM 0 H GLN A 65 -5.084 -4.324 1.719 1.00 0.08 H new ATOM 0 HA GLN A 65 -6.924 -2.127 2.063 1.00 0.09 H new ATOM 0 HB2 GLN A 65 -5.249 -3.796 3.964 1.00 0.10 H new ATOM 0 HB3 GLN A 65 -6.278 -2.484 4.504 1.00 0.10 H new ATOM 0 HG2 GLN A 65 -8.199 -3.701 3.272 1.00 0.10 H new ATOM 0 HG3 GLN A 65 -7.113 -5.072 3.164 1.00 0.10 H new ATOM 0 HE21 GLN A 65 -8.208 -6.472 4.509 1.00 0.31 H new ATOM 0 HE22 GLN A 65 -8.427 -6.180 6.238 1.00 0.31 H new ATOM 1024 N ILE A 66 -3.689 -1.672 2.351 1.00 0.02 N ATOM 1025 CA ILE A 66 -2.651 -0.651 2.442 1.00 0.03 C ATOM 1026 C ILE A 66 -2.842 0.385 1.334 1.00 0.05 C ATOM 1027 O ILE A 66 -2.695 1.590 1.557 1.00 0.18 O ATOM 1028 CB ILE A 66 -1.234 -1.273 2.347 1.00 0.10 C ATOM 1029 CG1 ILE A 66 -0.884 -1.979 3.663 1.00 0.74 C ATOM 1030 CG2 ILE A 66 -0.189 -0.210 2.017 1.00 0.71 C ATOM 1031 CD1 ILE A 66 0.373 -2.824 3.596 1.00 1.29 C ATOM 0 H ILE A 66 -3.342 -2.609 2.149 1.00 0.02 H new ATOM 0 HA ILE A 66 -2.740 -0.166 3.414 1.00 0.03 H new ATOM 0 HB ILE A 66 -1.233 -2.005 1.539 1.00 0.10 H new ATOM 0 HG12 ILE A 66 -0.764 -1.229 4.445 1.00 0.74 H new ATOM 0 HG13 ILE A 66 -1.720 -2.613 3.956 1.00 0.74 H new ATOM 0 HG21 ILE A 66 0.795 -0.674 1.956 1.00 0.71 H new ATOM 0 HG22 ILE A 66 -0.431 0.254 1.061 1.00 0.71 H new ATOM 0 HG23 ILE A 66 -0.184 0.550 2.798 1.00 0.71 H new ATOM 0 HD11 ILE A 66 0.551 -3.289 4.566 1.00 1.29 H new ATOM 0 HD12 ILE A 66 0.251 -3.599 2.839 1.00 1.29 H new ATOM 0 HD13 ILE A 66 1.222 -2.193 3.335 1.00 1.29 H new ATOM 1043 N ALA A 67 -3.201 -0.096 0.151 1.00 0.07 N ATOM 1044 CA ALA A 67 -3.425 0.770 -0.996 1.00 0.05 C ATOM 1045 C ALA A 67 -4.578 1.741 -0.739 1.00 0.04 C ATOM 1046 O ALA A 67 -4.459 2.935 -1.010 1.00 0.03 O ATOM 1047 CB ALA A 67 -3.699 -0.064 -2.236 1.00 0.06 C ATOM 0 H ALA A 67 -3.344 -1.088 -0.039 1.00 0.07 H new ATOM 0 HA ALA A 67 -2.522 1.359 -1.158 1.00 0.05 H new ATOM 0 HB1 ALA A 67 -3.865 0.595 -3.088 1.00 0.06 H new ATOM 0 HB2 ALA A 67 -2.843 -0.709 -2.437 1.00 0.06 H new ATOM 0 HB3 ALA A 67 -4.585 -0.677 -2.073 1.00 0.06 H new ATOM 1053 N SER A 68 -5.676 1.236 -0.190 1.00 0.05 N ATOM 1054 CA SER A 68 -6.839 2.070 0.090 1.00 0.07 C ATOM 1055 C SER A 68 -6.540 3.064 1.211 1.00 0.08 C ATOM 1056 O SER A 68 -6.960 4.222 1.160 1.00 0.12 O ATOM 1057 CB SER A 68 -8.039 1.194 0.448 1.00 0.07 C ATOM 1058 OG SER A 68 -7.621 -0.116 0.794 1.00 0.04 O ATOM 0 H SER A 68 -5.786 0.256 0.070 1.00 0.05 H new ATOM 0 HA SER A 68 -7.079 2.641 -0.807 1.00 0.07 H new ATOM 0 HB2 SER A 68 -8.584 1.639 1.281 1.00 0.07 H new ATOM 0 HB3 SER A 68 -8.727 1.150 -0.396 1.00 0.07 H new ATOM 0 HG SER A 68 -7.003 -0.072 1.553 1.00 0.04 H new ATOM 1064 N GLU A 69 -5.790 2.610 2.212 1.00 0.08 N ATOM 1065 CA GLU A 69 -5.416 3.456 3.343 1.00 0.14 C ATOM 1066 C GLU A 69 -4.576 4.646 2.881 1.00 0.10 C ATOM 1067 O GLU A 69 -4.555 5.695 3.528 1.00 0.10 O ATOM 1068 CB GLU A 69 -4.638 2.647 4.388 1.00 0.19 C ATOM 1069 CG GLU A 69 -5.525 1.864 5.348 1.00 0.29 C ATOM 1070 CD GLU A 69 -6.242 2.760 6.337 1.00 0.63 C ATOM 1071 OE1 GLU A 69 -5.596 3.228 7.297 1.00 0.82 O ATOM 1072 OE2 GLU A 69 -7.453 2.997 6.161 1.00 0.79 O1- ATOM 0 H GLU A 69 -5.428 1.658 2.263 1.00 0.08 H new ATOM 0 HA GLU A 69 -6.334 3.832 3.796 1.00 0.14 H new ATOM 0 HB2 GLU A 69 -3.973 1.952 3.874 1.00 0.19 H new ATOM 0 HB3 GLU A 69 -4.007 3.325 4.963 1.00 0.19 H new ATOM 0 HG2 GLU A 69 -6.260 1.297 4.777 1.00 0.29 H new ATOM 0 HG3 GLU A 69 -4.917 1.141 5.892 1.00 0.29 H new ATOM 1079 N TYR A 70 -3.886 4.481 1.760 1.00 0.07 N ATOM 1080 CA TYR A 70 -3.052 5.541 1.215 1.00 0.04 C ATOM 1081 C TYR A 70 -3.813 6.373 0.186 1.00 0.03 C ATOM 1082 O TYR A 70 -3.532 7.557 0.007 1.00 0.04 O ATOM 1083 CB TYR A 70 -1.787 4.957 0.586 1.00 0.05 C ATOM 1084 CG TYR A 70 -0.635 4.820 1.555 1.00 0.18 C ATOM 1085 CD1 TYR A 70 -0.164 5.920 2.260 1.00 0.36 C ATOM 1086 CD2 TYR A 70 -0.013 3.593 1.762 1.00 0.37 C ATOM 1087 CE1 TYR A 70 0.889 5.802 3.146 1.00 0.47 C ATOM 1088 CE2 TYR A 70 1.042 3.469 2.648 1.00 0.46 C ATOM 1089 CZ TYR A 70 1.490 4.576 3.336 1.00 0.44 C ATOM 1090 OH TYR A 70 2.543 4.457 4.215 1.00 0.58 O ATOM 0 H TYR A 70 -3.888 3.622 1.211 1.00 0.07 H new ATOM 0 HA TYR A 70 -2.769 6.196 2.039 1.00 0.04 H new ATOM 0 HB2 TYR A 70 -2.018 3.977 0.169 1.00 0.05 H new ATOM 0 HB3 TYR A 70 -1.478 5.592 -0.245 1.00 0.05 H new ATOM 0 HD1 TYR A 70 -0.629 6.884 2.113 1.00 0.36 H new ATOM 0 HD2 TYR A 70 -0.359 2.724 1.223 1.00 0.37 H new ATOM 0 HE1 TYR A 70 1.240 6.667 3.688 1.00 0.47 H new ATOM 0 HE2 TYR A 70 1.513 2.509 2.800 1.00 0.46 H new ATOM 0 HH TYR A 70 2.465 3.612 4.706 1.00 0.58 H new ATOM 1100 N LEU A 71 -4.777 5.755 -0.483 1.00 0.07 N ATOM 1101 CA LEU A 71 -5.571 6.454 -1.496 1.00 0.11 C ATOM 1102 C LEU A 71 -6.427 7.547 -0.869 1.00 0.12 C ATOM 1103 O LEU A 71 -6.682 8.577 -1.495 1.00 0.16 O ATOM 1104 CB LEU A 71 -6.453 5.481 -2.286 1.00 0.13 C ATOM 1105 CG LEU A 71 -5.993 5.220 -3.733 1.00 0.14 C ATOM 1106 CD1 LEU A 71 -4.600 4.602 -3.766 1.00 0.12 C ATOM 1107 CD2 LEU A 71 -6.972 4.322 -4.478 1.00 0.23 C ATOM 0 H LEU A 71 -5.031 4.776 -0.347 1.00 0.07 H new ATOM 0 HA LEU A 71 -4.869 6.919 -2.189 1.00 0.11 H new ATOM 0 HB2 LEU A 71 -6.488 4.530 -1.754 1.00 0.13 H new ATOM 0 HB3 LEU A 71 -7.470 5.871 -2.308 1.00 0.13 H new ATOM 0 HG LEU A 71 -5.961 6.187 -4.235 1.00 0.14 H new ATOM 0 HD11 LEU A 71 -4.303 4.429 -4.800 1.00 0.12 H new ATOM 0 HD12 LEU A 71 -3.890 5.280 -3.293 1.00 0.12 H new ATOM 0 HD13 LEU A 71 -4.610 3.654 -3.228 1.00 0.12 H new ATOM 0 HD21 LEU A 71 -6.615 4.160 -5.495 1.00 0.23 H new ATOM 0 HD22 LEU A 71 -7.051 3.364 -3.964 1.00 0.23 H new ATOM 0 HD23 LEU A 71 -7.952 4.799 -4.509 1.00 0.23 H new ATOM 1119 N LYS A 72 -6.856 7.335 0.368 1.00 0.13 N ATOM 1120 CA LYS A 72 -7.663 8.332 1.059 1.00 0.16 C ATOM 1121 C LYS A 72 -6.818 9.570 1.355 1.00 0.16 C ATOM 1122 O LYS A 72 -7.339 10.675 1.509 1.00 0.30 O ATOM 1123 CB LYS A 72 -8.251 7.759 2.354 1.00 0.18 C ATOM 1124 CG LYS A 72 -7.208 7.390 3.398 1.00 0.18 C ATOM 1125 CD LYS A 72 -7.845 6.902 4.690 1.00 0.22 C ATOM 1126 CE LYS A 72 -8.763 5.711 4.452 1.00 0.25 C ATOM 1127 NZ LYS A 72 -9.118 5.024 5.720 1.00 0.24 N1+ ATOM 0 H LYS A 72 -6.662 6.492 0.909 1.00 0.13 H new ATOM 0 HA LYS A 72 -8.493 8.616 0.412 1.00 0.16 H new ATOM 0 HB2 LYS A 72 -8.937 8.489 2.783 1.00 0.18 H new ATOM 0 HB3 LYS A 72 -8.838 6.873 2.113 1.00 0.18 H new ATOM 0 HG2 LYS A 72 -6.555 6.614 3.000 1.00 0.18 H new ATOM 0 HG3 LYS A 72 -6.582 8.257 3.607 1.00 0.18 H new ATOM 0 HD2 LYS A 72 -7.064 6.624 5.398 1.00 0.22 H new ATOM 0 HD3 LYS A 72 -8.413 7.714 5.145 1.00 0.22 H new ATOM 0 HE2 LYS A 72 -9.673 6.047 3.954 1.00 0.25 H new ATOM 0 HE3 LYS A 72 -8.275 5.005 3.781 1.00 0.25 H new ATOM 0 HZ1 LYS A 72 -9.928 4.392 5.557 1.00 0.24 H new ATOM 0 HZ2 LYS A 72 -8.305 4.467 6.052 1.00 0.24 H new ATOM 0 HZ3 LYS A 72 -9.370 5.732 6.439 1.00 0.24 H new ATOM 1141 N LEU A 73 -5.503 9.375 1.411 1.00 0.03 N ATOM 1142 CA LEU A 73 -4.579 10.468 1.672 1.00 0.05 C ATOM 1143 C LEU A 73 -4.461 11.341 0.427 1.00 0.05 C ATOM 1144 O LEU A 73 -4.528 12.567 0.510 1.00 0.10 O ATOM 1145 CB LEU A 73 -3.203 9.911 2.086 1.00 0.14 C ATOM 1146 CG LEU A 73 -2.261 10.858 2.855 1.00 0.17 C ATOM 1147 CD1 LEU A 73 -1.704 11.945 1.949 1.00 0.18 C ATOM 1148 CD2 LEU A 73 -2.959 11.477 4.061 1.00 0.24 C ATOM 0 H LEU A 73 -5.056 8.468 1.279 1.00 0.03 H new ATOM 0 HA LEU A 73 -4.957 11.078 2.493 1.00 0.05 H new ATOM 0 HB2 LEU A 73 -3.368 9.026 2.701 1.00 0.14 H new ATOM 0 HB3 LEU A 73 -2.687 9.581 1.184 1.00 0.14 H new ATOM 0 HG LEU A 73 -1.426 10.257 3.216 1.00 0.17 H new ATOM 0 HD11 LEU A 73 -1.044 12.595 2.524 1.00 0.18 H new ATOM 0 HD12 LEU A 73 -1.143 11.487 1.134 1.00 0.18 H new ATOM 0 HD13 LEU A 73 -2.525 12.533 1.539 1.00 0.18 H new ATOM 0 HD21 LEU A 73 -2.267 12.139 4.581 1.00 0.24 H new ATOM 0 HD22 LEU A 73 -3.826 12.047 3.727 1.00 0.24 H new ATOM 0 HD23 LEU A 73 -3.284 10.687 4.738 1.00 0.24 H new ATOM 1160 N LYS A 74 -4.311 10.703 -0.733 1.00 0.10 N ATOM 1161 CA LYS A 74 -4.193 11.436 -1.988 1.00 0.18 C ATOM 1162 C LYS A 74 -5.490 12.189 -2.283 1.00 0.21 C ATOM 1163 O LYS A 74 -5.489 13.211 -2.969 1.00 0.29 O ATOM 1164 CB LYS A 74 -3.833 10.495 -3.148 1.00 0.23 C ATOM 1165 CG LYS A 74 -5.023 9.766 -3.758 1.00 0.11 C ATOM 1166 CD LYS A 74 -4.612 8.864 -4.914 1.00 0.18 C ATOM 1167 CE LYS A 74 -4.153 9.667 -6.122 1.00 0.26 C ATOM 1168 NZ LYS A 74 -4.285 8.888 -7.383 1.00 0.15 N1+ ATOM 0 H LYS A 74 -4.269 9.688 -0.828 1.00 0.10 H new ATOM 0 HA LYS A 74 -3.385 12.160 -1.886 1.00 0.18 H new ATOM 0 HB2 LYS A 74 -3.337 11.073 -3.928 1.00 0.23 H new ATOM 0 HB3 LYS A 74 -3.114 9.757 -2.792 1.00 0.23 H new ATOM 0 HG2 LYS A 74 -5.514 9.169 -2.990 1.00 0.11 H new ATOM 0 HG3 LYS A 74 -5.753 10.495 -4.110 1.00 0.11 H new ATOM 0 HD2 LYS A 74 -3.808 8.202 -4.591 1.00 0.18 H new ATOM 0 HD3 LYS A 74 -5.452 8.230 -5.197 1.00 0.18 H new ATOM 0 HE2 LYS A 74 -4.741 10.582 -6.196 1.00 0.26 H new ATOM 0 HE3 LYS A 74 -3.114 9.967 -5.986 1.00 0.26 H new ATOM 0 HZ1 LYS A 74 -3.963 9.467 -8.184 1.00 0.15 H new ATOM 0 HZ2 LYS A 74 -3.704 8.028 -7.322 1.00 0.15 H new ATOM 0 HZ3 LYS A 74 -5.281 8.624 -7.525 1.00 0.15 H new ATOM 1182 N GLU A 75 -6.590 11.671 -1.749 1.00 0.18 N ATOM 1183 CA GLU A 75 -7.898 12.286 -1.918 1.00 0.27 C ATOM 1184 C GLU A 75 -7.937 13.629 -1.189 1.00 0.23 C ATOM 1185 O GLU A 75 -8.339 14.652 -1.753 1.00 0.32 O ATOM 1186 CB GLU A 75 -8.982 11.347 -1.379 1.00 0.36 C ATOM 1187 CG GLU A 75 -10.388 11.926 -1.397 1.00 0.51 C ATOM 1188 CD GLU A 75 -10.976 12.035 -2.790 1.00 0.97 C ATOM 1189 OE1 GLU A 75 -10.458 11.378 -3.722 1.00 1.57 O1- ATOM 1190 OE2 GLU A 75 -11.971 12.772 -2.957 1.00 1.47 O ATOM 0 H GLU A 75 -6.599 10.818 -1.190 1.00 0.18 H new ATOM 0 HA GLU A 75 -8.084 12.462 -2.978 1.00 0.27 H new ATOM 0 HB2 GLU A 75 -8.974 10.429 -1.967 1.00 0.36 H new ATOM 0 HB3 GLU A 75 -8.730 11.072 -0.355 1.00 0.36 H new ATOM 0 HG2 GLU A 75 -11.038 11.302 -0.784 1.00 0.51 H new ATOM 0 HG3 GLU A 75 -10.372 12.915 -0.939 1.00 0.51 H new ATOM 1197 N GLU A 76 -7.496 13.619 0.065 1.00 0.13 N ATOM 1198 CA GLU A 76 -7.463 14.830 0.877 1.00 0.10 C ATOM 1199 C GLU A 76 -6.417 15.799 0.332 1.00 0.05 C ATOM 1200 O GLU A 76 -6.589 17.016 0.403 1.00 0.03 O ATOM 1201 CB GLU A 76 -7.156 14.484 2.337 1.00 0.10 C ATOM 1202 CG GLU A 76 -7.224 15.677 3.277 1.00 0.19 C ATOM 1203 CD GLU A 76 -7.398 15.267 4.725 1.00 0.51 C ATOM 1204 OE1 GLU A 76 -6.382 15.056 5.418 1.00 0.59 O1- ATOM 1205 OE2 GLU A 76 -8.559 15.160 5.182 1.00 1.56 O ATOM 0 H GLU A 76 -7.156 12.784 0.542 1.00 0.13 H new ATOM 0 HA GLU A 76 -8.442 15.308 0.832 1.00 0.10 H new ATOM 0 HB2 GLU A 76 -7.861 13.725 2.677 1.00 0.10 H new ATOM 0 HB3 GLU A 76 -6.161 14.044 2.395 1.00 0.10 H new ATOM 0 HG2 GLU A 76 -6.313 16.266 3.177 1.00 0.19 H new ATOM 0 HG3 GLU A 76 -8.053 16.320 2.983 1.00 0.19 H new ATOM 1212 N TYR A 77 -5.352 15.232 -0.227 1.00 0.06 N ATOM 1213 CA TYR A 77 -4.248 15.996 -0.809 1.00 0.05 C ATOM 1214 C TYR A 77 -4.742 16.977 -1.869 1.00 0.07 C ATOM 1215 O TYR A 77 -4.188 18.062 -2.030 1.00 0.11 O ATOM 1216 CB TYR A 77 -3.225 15.022 -1.418 1.00 0.09 C ATOM 1217 CG TYR A 77 -2.070 15.668 -2.161 1.00 0.12 C ATOM 1218 CD1 TYR A 77 -1.400 16.763 -1.639 1.00 0.14 C ATOM 1219 CD2 TYR A 77 -1.636 15.157 -3.380 1.00 0.12 C ATOM 1220 CE1 TYR A 77 -0.335 17.337 -2.302 1.00 0.17 C ATOM 1221 CE2 TYR A 77 -0.572 15.727 -4.054 1.00 0.16 C ATOM 1222 CZ TYR A 77 0.076 16.814 -3.511 1.00 0.18 C ATOM 1223 OH TYR A 77 1.141 17.376 -4.178 1.00 0.21 O ATOM 0 H TYR A 77 -5.228 14.222 -0.290 1.00 0.06 H new ATOM 0 HA TYR A 77 -3.777 16.581 -0.019 1.00 0.05 H new ATOM 0 HB2 TYR A 77 -2.819 14.402 -0.619 1.00 0.09 H new ATOM 0 HB3 TYR A 77 -3.748 14.355 -2.104 1.00 0.09 H new ATOM 0 HD1 TYR A 77 -1.718 17.176 -0.693 1.00 0.14 H new ATOM 0 HD2 TYR A 77 -2.138 14.301 -3.807 1.00 0.12 H new ATOM 0 HE1 TYR A 77 0.174 18.190 -1.878 1.00 0.17 H new ATOM 0 HE2 TYR A 77 -0.250 15.322 -5.002 1.00 0.16 H new ATOM 0 HH TYR A 77 1.300 16.887 -5.012 1.00 0.21 H new ATOM 1233 N GLN A 78 -5.778 16.596 -2.591 1.00 0.10 N ATOM 1234 CA GLN A 78 -6.325 17.461 -3.619 1.00 0.13 C ATOM 1235 C GLN A 78 -7.421 18.358 -3.052 1.00 0.06 C ATOM 1236 O GLN A 78 -7.544 19.524 -3.430 1.00 0.08 O ATOM 1237 CB GLN A 78 -6.872 16.625 -4.776 1.00 0.19 C ATOM 1238 CG GLN A 78 -5.786 15.958 -5.609 1.00 0.23 C ATOM 1239 CD GLN A 78 -4.788 16.954 -6.168 1.00 0.31 C ATOM 1240 OE1 GLN A 78 -5.115 18.117 -6.397 1.00 0.51 O ATOM 1241 NE2 GLN A 78 -3.569 16.504 -6.401 1.00 0.26 N ATOM 0 H GLN A 78 -6.255 15.700 -2.487 1.00 0.10 H new ATOM 0 HA GLN A 78 -5.522 18.098 -3.990 1.00 0.13 H new ATOM 0 HB2 GLN A 78 -7.536 15.858 -4.378 1.00 0.19 H new ATOM 0 HB3 GLN A 78 -7.474 17.263 -5.422 1.00 0.19 H new ATOM 0 HG2 GLN A 78 -5.260 15.227 -4.995 1.00 0.23 H new ATOM 0 HG3 GLN A 78 -6.248 15.411 -6.431 1.00 0.23 H new ATOM 0 HE21 GLN A 78 -3.337 15.532 -6.197 1.00 0.26 H new ATOM 0 HE22 GLN A 78 -2.859 17.128 -6.784 1.00 0.26 H new ATOM 1250 N ARG A 79 -8.184 17.817 -2.112 1.00 0.04 N ATOM 1251 CA ARG A 79 -9.292 18.537 -1.495 1.00 0.11 C ATOM 1252 C ARG A 79 -8.848 19.802 -0.759 1.00 0.17 C ATOM 1253 O ARG A 79 -9.398 20.876 -0.988 1.00 0.29 O ATOM 1254 CB ARG A 79 -10.037 17.621 -0.526 1.00 0.18 C ATOM 1255 CG ARG A 79 -10.965 16.630 -1.209 1.00 0.46 C ATOM 1256 CD ARG A 79 -11.752 15.819 -0.195 1.00 0.78 C ATOM 1257 NE ARG A 79 -12.588 16.662 0.664 1.00 1.20 N ATOM 1258 CZ ARG A 79 -13.764 16.280 1.159 1.00 0.98 C ATOM 1259 NH1 ARG A 79 -14.253 15.080 0.867 1.00 0.63 N1+ ATOM 1260 NH2 ARG A 79 -14.456 17.096 1.947 1.00 1.78 N ATOM 0 H ARG A 79 -8.054 16.870 -1.756 1.00 0.04 H new ATOM 0 HA ARG A 79 -9.950 18.849 -2.306 1.00 0.11 H new ATOM 0 HB2 ARG A 79 -9.310 17.071 0.071 1.00 0.18 H new ATOM 0 HB3 ARG A 79 -10.618 18.233 0.164 1.00 0.18 H new ATOM 0 HG2 ARG A 79 -11.654 17.165 -1.863 1.00 0.46 H new ATOM 0 HG3 ARG A 79 -10.382 15.959 -1.840 1.00 0.46 H new ATOM 0 HD2 ARG A 79 -12.382 15.100 -0.719 1.00 0.78 H new ATOM 0 HD3 ARG A 79 -11.061 15.246 0.424 1.00 0.78 H new ATOM 0 HE ARG A 79 -12.250 17.596 0.896 1.00 1.20 H new ATOM 0 HH11 ARG A 79 -13.728 14.449 0.262 1.00 0.63 H new ATOM 0 HH12 ARG A 79 -15.154 14.790 1.247 1.00 0.63 H new ATOM 0 HH21 ARG A 79 -14.087 18.019 2.175 1.00 1.78 H new ATOM 0 HH22 ARG A 79 -15.356 16.799 2.324 1.00 1.78 H new ATOM 1274 N LEU A 80 -7.845 19.688 0.109 1.00 0.11 N ATOM 1275 CA LEU A 80 -7.391 20.847 0.880 1.00 0.17 C ATOM 1276 C LEU A 80 -6.633 21.852 0.003 1.00 0.18 C ATOM 1277 O LEU A 80 -6.306 22.953 0.445 1.00 0.22 O ATOM 1278 CB LEU A 80 -6.590 20.412 2.139 1.00 0.19 C ATOM 1279 CG LEU A 80 -5.074 20.125 2.018 1.00 0.22 C ATOM 1280 CD1 LEU A 80 -4.718 19.395 0.739 1.00 0.25 C ATOM 1281 CD2 LEU A 80 -4.256 21.401 2.160 1.00 0.23 C ATOM 0 H LEU A 80 -7.338 18.823 0.295 1.00 0.11 H new ATOM 0 HA LEU A 80 -8.274 21.373 1.244 1.00 0.17 H new ATOM 0 HB2 LEU A 80 -6.716 21.191 2.891 1.00 0.19 H new ATOM 0 HB3 LEU A 80 -7.062 19.511 2.531 1.00 0.19 H new ATOM 0 HG LEU A 80 -4.820 19.460 2.843 1.00 0.22 H new ATOM 0 HD11 LEU A 80 -3.643 19.220 0.707 1.00 0.25 H new ATOM 0 HD12 LEU A 80 -5.242 18.440 0.707 1.00 0.25 H new ATOM 0 HD13 LEU A 80 -5.013 19.999 -0.119 1.00 0.25 H new ATOM 0 HD21 LEU A 80 -3.196 21.165 2.070 1.00 0.23 H new ATOM 0 HD22 LEU A 80 -4.539 22.104 1.376 1.00 0.23 H new ATOM 0 HD23 LEU A 80 -4.447 21.849 3.135 1.00 0.23 H new ATOM 1293 N ARG A 81 -6.397 21.486 -1.249 1.00 0.17 N ATOM 1294 CA ARG A 81 -5.693 22.360 -2.177 1.00 0.21 C ATOM 1295 C ARG A 81 -6.677 23.198 -2.986 1.00 0.22 C ATOM 1296 O ARG A 81 -6.559 24.424 -3.052 1.00 0.31 O ATOM 1297 CB ARG A 81 -4.819 21.544 -3.132 1.00 0.21 C ATOM 1298 CG ARG A 81 -3.463 21.161 -2.562 1.00 0.25 C ATOM 1299 CD ARG A 81 -2.582 20.514 -3.621 1.00 0.43 C ATOM 1300 NE ARG A 81 -2.195 21.461 -4.672 1.00 0.50 N ATOM 1301 CZ ARG A 81 -2.709 21.465 -5.905 1.00 0.50 C ATOM 1302 NH1 ARG A 81 -3.641 20.586 -6.251 1.00 0.71 N1+ ATOM 1303 NH2 ARG A 81 -2.283 22.348 -6.796 1.00 0.54 N ATOM 0 H ARG A 81 -6.682 20.591 -1.645 1.00 0.17 H new ATOM 0 HA ARG A 81 -5.059 23.024 -1.589 1.00 0.21 H new ATOM 0 HB2 ARG A 81 -5.354 20.636 -3.409 1.00 0.21 H new ATOM 0 HB3 ARG A 81 -4.667 22.117 -4.047 1.00 0.21 H new ATOM 0 HG2 ARG A 81 -2.968 22.048 -2.167 1.00 0.25 H new ATOM 0 HG3 ARG A 81 -3.598 20.473 -1.728 1.00 0.25 H new ATOM 0 HD2 ARG A 81 -1.686 20.111 -3.149 1.00 0.43 H new ATOM 0 HD3 ARG A 81 -3.112 19.673 -4.069 1.00 0.43 H new ATOM 0 HE ARG A 81 -1.488 22.161 -4.447 1.00 0.50 H new ATOM 0 HH11 ARG A 81 -3.971 19.899 -5.573 1.00 0.71 H new ATOM 0 HH12 ARG A 81 -4.027 20.597 -7.195 1.00 0.71 H new ATOM 0 HH21 ARG A 81 -1.563 23.024 -6.540 1.00 0.54 H new ATOM 0 HH22 ARG A 81 -2.675 22.352 -7.738 1.00 0.54 H new ATOM 1551 N THR B 10 -18.868 -0.691 5.886 1.00 0.33 N ATOM 1552 CA THR B 10 -19.239 -1.927 5.230 1.00 0.31 C ATOM 1553 C THR B 10 -18.025 -2.558 4.545 1.00 0.23 C ATOM 1554 O THR B 10 -16.969 -1.927 4.417 1.00 0.23 O ATOM 1555 CB THR B 10 -20.371 -1.694 4.200 1.00 0.36 C ATOM 1556 OG1 THR B 10 -20.943 -2.947 3.801 1.00 0.42 O ATOM 1557 CG2 THR B 10 -19.863 -0.951 2.972 1.00 0.28 C ATOM 0 HA THR B 10 -19.608 -2.612 5.994 1.00 0.31 H new ATOM 0 HB THR B 10 -21.133 -1.080 4.680 1.00 0.36 H new ATOM 0 HG1 THR B 10 -21.659 -2.788 3.151 1.00 0.42 H new ATOM 0 HG21 THR B 10 -20.684 -0.805 2.270 1.00 0.28 H new ATOM 0 HG22 THR B 10 -19.465 0.018 3.272 1.00 0.28 H new ATOM 0 HG23 THR B 10 -19.076 -1.534 2.494 1.00 0.28 H new ATOM 1565 N ARG B 11 -18.181 -3.798 4.105 1.00 0.25 N ATOM 1566 CA ARG B 11 -17.100 -4.513 3.445 1.00 0.21 C ATOM 1567 C ARG B 11 -17.405 -4.700 1.960 1.00 0.27 C ATOM 1568 O ARG B 11 -18.557 -4.897 1.569 1.00 0.53 O ATOM 1569 CB ARG B 11 -16.861 -5.868 4.126 1.00 0.24 C ATOM 1570 CG ARG B 11 -17.979 -6.878 3.919 1.00 0.31 C ATOM 1571 CD ARG B 11 -17.865 -8.039 4.893 1.00 0.68 C ATOM 1572 NE ARG B 11 -18.417 -7.708 6.206 1.00 1.23 N ATOM 1573 CZ ARG B 11 -19.393 -8.397 6.797 1.00 1.21 C ATOM 1574 NH1 ARG B 11 -19.916 -9.462 6.203 1.00 1.36 N1+ ATOM 1575 NH2 ARG B 11 -19.846 -8.023 7.985 1.00 1.72 N ATOM 0 H ARG B 11 -19.047 -4.330 4.193 1.00 0.25 H new ATOM 0 HA ARG B 11 -16.190 -3.919 3.531 1.00 0.21 H new ATOM 0 HB2 ARG B 11 -15.930 -6.292 3.749 1.00 0.24 H new ATOM 0 HB3 ARG B 11 -16.727 -5.705 5.195 1.00 0.24 H new ATOM 0 HG2 ARG B 11 -18.944 -6.387 4.047 1.00 0.31 H new ATOM 0 HG3 ARG B 11 -17.947 -7.254 2.897 1.00 0.31 H new ATOM 0 HD2 ARG B 11 -18.388 -8.905 4.488 1.00 0.68 H new ATOM 0 HD3 ARG B 11 -16.818 -8.321 5.000 1.00 0.68 H new ATOM 0 HE ARG B 11 -18.032 -6.902 6.699 1.00 1.23 H new ATOM 0 HH11 ARG B 11 -19.571 -9.757 5.290 1.00 1.36 H new ATOM 0 HH12 ARG B 11 -20.663 -9.986 6.660 1.00 1.36 H new ATOM 0 HH21 ARG B 11 -19.448 -7.206 8.449 1.00 1.72 H new ATOM 0 HH22 ARG B 11 -20.593 -8.552 8.436 1.00 1.72 H new ATOM 1589 N VAL B 12 -16.367 -4.619 1.142 1.00 0.16 N ATOM 1590 CA VAL B 12 -16.501 -4.776 -0.296 1.00 0.15 C ATOM 1591 C VAL B 12 -15.747 -6.018 -0.772 1.00 0.12 C ATOM 1592 O VAL B 12 -14.674 -6.343 -0.258 1.00 0.17 O ATOM 1593 CB VAL B 12 -15.991 -3.518 -1.046 1.00 0.19 C ATOM 1594 CG1 VAL B 12 -14.498 -3.304 -0.830 1.00 0.13 C ATOM 1595 CG2 VAL B 12 -16.315 -3.600 -2.531 1.00 0.25 C ATOM 0 H VAL B 12 -15.412 -4.443 1.455 1.00 0.16 H new ATOM 0 HA VAL B 12 -17.560 -4.900 -0.522 1.00 0.15 H new ATOM 0 HB VAL B 12 -16.512 -2.656 -0.629 1.00 0.19 H new ATOM 0 HG11 VAL B 12 -14.176 -2.414 -1.370 1.00 0.13 H new ATOM 0 HG12 VAL B 12 -14.299 -3.175 0.234 1.00 0.13 H new ATOM 0 HG13 VAL B 12 -13.949 -4.170 -1.199 1.00 0.13 H new ATOM 0 HG21 VAL B 12 -15.947 -2.706 -3.034 1.00 0.25 H new ATOM 0 HG22 VAL B 12 -15.836 -4.480 -2.960 1.00 0.25 H new ATOM 0 HG23 VAL B 12 -17.394 -3.673 -2.664 1.00 0.25 H new ATOM 1605 N SER B 13 -16.328 -6.725 -1.729 1.00 0.09 N ATOM 1606 CA SER B 13 -15.716 -7.923 -2.275 1.00 0.12 C ATOM 1607 C SER B 13 -15.216 -7.655 -3.693 1.00 0.18 C ATOM 1608 O SER B 13 -15.995 -7.279 -4.569 1.00 0.48 O ATOM 1609 CB SER B 13 -16.731 -9.066 -2.278 1.00 0.12 C ATOM 1610 OG SER B 13 -17.762 -8.829 -1.330 1.00 0.38 O ATOM 0 H SER B 13 -17.228 -6.486 -2.145 1.00 0.09 H new ATOM 0 HA SER B 13 -14.866 -8.206 -1.654 1.00 0.12 H new ATOM 0 HB2 SER B 13 -17.163 -9.172 -3.273 1.00 0.12 H new ATOM 0 HB3 SER B 13 -16.228 -10.005 -2.048 1.00 0.12 H new ATOM 0 HG SER B 13 -18.401 -9.571 -1.350 1.00 0.38 H new ATOM 1616 N VAL B 14 -13.918 -7.836 -3.912 1.00 0.14 N ATOM 1617 CA VAL B 14 -13.322 -7.601 -5.227 1.00 0.13 C ATOM 1618 C VAL B 14 -12.381 -8.738 -5.620 1.00 0.09 C ATOM 1619 O VAL B 14 -11.880 -9.461 -4.760 1.00 0.19 O ATOM 1620 CB VAL B 14 -12.549 -6.267 -5.274 1.00 0.15 C ATOM 1621 CG1 VAL B 14 -13.501 -5.099 -5.484 1.00 0.27 C ATOM 1622 CG2 VAL B 14 -11.731 -6.071 -4.005 1.00 0.17 C ATOM 0 H VAL B 14 -13.257 -8.144 -3.199 1.00 0.14 H new ATOM 0 HA VAL B 14 -14.147 -7.554 -5.938 1.00 0.13 H new ATOM 0 HB VAL B 14 -11.862 -6.304 -6.120 1.00 0.15 H new ATOM 0 HG11 VAL B 14 -12.934 -4.168 -5.514 1.00 0.27 H new ATOM 0 HG12 VAL B 14 -14.035 -5.229 -6.425 1.00 0.27 H new ATOM 0 HG13 VAL B 14 -14.217 -5.061 -4.663 1.00 0.27 H new ATOM 0 HG21 VAL B 14 -11.194 -5.124 -4.061 1.00 0.17 H new ATOM 0 HG22 VAL B 14 -12.396 -6.061 -3.141 1.00 0.17 H new ATOM 0 HG23 VAL B 14 -11.016 -6.888 -3.903 1.00 0.17 H new ATOM 1632 N ARG B 15 -12.141 -8.884 -6.917 1.00 0.17 N ATOM 1633 CA ARG B 15 -11.273 -9.940 -7.423 1.00 0.12 C ATOM 1634 C ARG B 15 -9.841 -9.445 -7.608 1.00 0.08 C ATOM 1635 O ARG B 15 -9.601 -8.438 -8.280 1.00 0.12 O ATOM 1636 CB ARG B 15 -11.815 -10.479 -8.748 1.00 0.19 C ATOM 1637 CG ARG B 15 -10.893 -11.477 -9.428 1.00 0.32 C ATOM 1638 CD ARG B 15 -11.593 -12.197 -10.564 1.00 0.37 C ATOM 1639 NE ARG B 15 -12.406 -13.311 -10.081 1.00 0.23 N ATOM 1640 CZ ARG B 15 -13.275 -13.982 -10.832 1.00 0.17 C ATOM 1641 NH1 ARG B 15 -13.486 -13.629 -12.095 1.00 0.20 N1+ ATOM 1642 NH2 ARG B 15 -13.944 -15.000 -10.312 1.00 0.33 N ATOM 0 H ARG B 15 -12.537 -8.283 -7.640 1.00 0.17 H new ATOM 0 HA ARG B 15 -11.260 -10.742 -6.685 1.00 0.12 H new ATOM 0 HB2 ARG B 15 -12.780 -10.954 -8.569 1.00 0.19 H new ATOM 0 HB3 ARG B 15 -11.992 -9.643 -9.424 1.00 0.19 H new ATOM 0 HG2 ARG B 15 -10.014 -10.959 -9.811 1.00 0.32 H new ATOM 0 HG3 ARG B 15 -10.541 -12.205 -8.697 1.00 0.32 H new ATOM 0 HD2 ARG B 15 -12.225 -11.493 -11.105 1.00 0.37 H new ATOM 0 HD3 ARG B 15 -10.851 -12.568 -11.271 1.00 0.37 H new ATOM 0 HE ARG B 15 -12.300 -13.592 -9.106 1.00 0.23 H new ATOM 0 HH11 ARG B 15 -12.980 -12.839 -12.495 1.00 0.20 H new ATOM 0 HH12 ARG B 15 -14.154 -14.148 -12.665 1.00 0.20 H new ATOM 0 HH21 ARG B 15 -13.792 -15.267 -9.339 1.00 0.33 H new ATOM 0 HH22 ARG B 15 -14.611 -15.517 -10.884 1.00 0.33 H new ATOM 1656 N ILE B 16 -8.897 -10.161 -7.007 1.00 0.03 N ATOM 1657 CA ILE B 16 -7.482 -9.836 -7.101 1.00 0.08 C ATOM 1658 C ILE B 16 -6.695 -11.102 -7.431 1.00 0.13 C ATOM 1659 O ILE B 16 -6.775 -12.090 -6.702 1.00 0.15 O ATOM 1660 CB ILE B 16 -6.941 -9.243 -5.781 1.00 0.10 C ATOM 1661 CG1 ILE B 16 -7.909 -8.194 -5.223 1.00 0.11 C ATOM 1662 CG2 ILE B 16 -5.563 -8.635 -6.006 1.00 0.15 C ATOM 1663 CD1 ILE B 16 -7.651 -7.835 -3.776 1.00 0.15 C ATOM 0 H ILE B 16 -9.094 -10.985 -6.440 1.00 0.03 H new ATOM 0 HA ILE B 16 -7.363 -9.089 -7.886 1.00 0.08 H new ATOM 0 HB ILE B 16 -6.853 -10.046 -5.049 1.00 0.10 H new ATOM 0 HG12 ILE B 16 -7.841 -7.291 -5.830 1.00 0.11 H new ATOM 0 HG13 ILE B 16 -8.929 -8.566 -5.319 1.00 0.11 H new ATOM 0 HG21 ILE B 16 -5.191 -8.220 -5.069 1.00 0.15 H new ATOM 0 HG22 ILE B 16 -4.878 -9.406 -6.358 1.00 0.15 H new ATOM 0 HG23 ILE B 16 -5.632 -7.843 -6.752 1.00 0.15 H new ATOM 0 HD11 ILE B 16 -8.375 -7.088 -3.452 1.00 0.15 H new ATOM 0 HD12 ILE B 16 -7.748 -8.727 -3.157 1.00 0.15 H new ATOM 0 HD13 ILE B 16 -6.643 -7.432 -3.675 1.00 0.15 H new ATOM 1675 N TYR B 17 -5.977 -11.084 -8.553 1.00 0.18 N ATOM 1676 CA TYR B 17 -5.164 -12.223 -8.986 1.00 0.25 C ATOM 1677 C TYR B 17 -6.044 -13.434 -9.307 1.00 0.24 C ATOM 1678 O TYR B 17 -5.608 -14.578 -9.184 1.00 0.27 O ATOM 1679 CB TYR B 17 -4.122 -12.589 -7.915 1.00 0.29 C ATOM 1680 CG TYR B 17 -2.768 -12.970 -8.481 1.00 0.23 C ATOM 1681 CD1 TYR B 17 -1.920 -12.005 -9.010 1.00 0.27 C ATOM 1682 CD2 TYR B 17 -2.340 -14.292 -8.484 1.00 0.22 C ATOM 1683 CE1 TYR B 17 -0.687 -12.347 -9.530 1.00 0.31 C ATOM 1684 CE2 TYR B 17 -1.106 -14.639 -9.002 1.00 0.20 C ATOM 1685 CZ TYR B 17 -0.283 -13.663 -9.523 1.00 0.26 C ATOM 1686 OH TYR B 17 0.944 -14.004 -10.043 1.00 0.34 O ATOM 0 H TYR B 17 -5.941 -10.285 -9.186 1.00 0.18 H new ATOM 0 HA TYR B 17 -4.638 -11.931 -9.895 1.00 0.25 H new ATOM 0 HB2 TYR B 17 -3.997 -11.743 -7.239 1.00 0.29 H new ATOM 0 HB3 TYR B 17 -4.503 -13.419 -7.320 1.00 0.29 H new ATOM 0 HD1 TYR B 17 -2.230 -10.970 -9.015 1.00 0.27 H new ATOM 0 HD2 TYR B 17 -2.981 -15.060 -8.076 1.00 0.22 H new ATOM 0 HE1 TYR B 17 -0.042 -11.584 -9.941 1.00 0.31 H new ATOM 0 HE2 TYR B 17 -0.788 -15.671 -8.999 1.00 0.20 H new ATOM 0 HH TYR B 17 1.077 -14.971 -9.960 1.00 0.34 H new ATOM 1696 N GLY B 18 -7.280 -13.174 -9.721 1.00 0.21 N ATOM 1697 CA GLY B 18 -8.193 -14.251 -10.067 1.00 0.22 C ATOM 1698 C GLY B 18 -9.036 -14.730 -8.900 1.00 0.22 C ATOM 1699 O GLY B 18 -10.004 -15.467 -9.089 1.00 0.24 O ATOM 0 H GLY B 18 -7.667 -12.236 -9.824 1.00 0.21 H new ATOM 0 HA2 GLY B 18 -8.852 -13.914 -10.867 1.00 0.22 H new ATOM 0 HA3 GLY B 18 -7.619 -15.091 -10.459 1.00 0.22 H new ATOM 1703 N GLN B 19 -8.690 -14.301 -7.697 1.00 0.20 N ATOM 1704 CA GLN B 19 -9.421 -14.705 -6.504 1.00 0.21 C ATOM 1705 C GLN B 19 -10.092 -13.501 -5.853 1.00 0.18 C ATOM 1706 O GLN B 19 -9.511 -12.424 -5.792 1.00 0.13 O ATOM 1707 CB GLN B 19 -8.467 -15.401 -5.530 1.00 0.22 C ATOM 1708 CG GLN B 19 -7.845 -16.661 -6.115 1.00 0.56 C ATOM 1709 CD GLN B 19 -6.540 -17.048 -5.450 1.00 0.86 C ATOM 1710 OE1 GLN B 19 -6.523 -17.816 -4.488 1.00 0.81 O ATOM 1711 NE2 GLN B 19 -5.438 -16.528 -5.965 1.00 1.36 N ATOM 0 H GLN B 19 -7.907 -13.672 -7.519 1.00 0.20 H new ATOM 0 HA GLN B 19 -10.206 -15.407 -6.784 1.00 0.21 H new ATOM 0 HB2 GLN B 19 -7.675 -14.708 -5.246 1.00 0.22 H new ATOM 0 HB3 GLN B 19 -9.008 -15.657 -4.619 1.00 0.22 H new ATOM 0 HG2 GLN B 19 -8.552 -17.485 -6.020 1.00 0.56 H new ATOM 0 HG3 GLN B 19 -7.672 -16.511 -7.181 1.00 0.56 H new ATOM 0 HE21 GLN B 19 -5.497 -15.895 -6.763 1.00 1.36 H new ATOM 0 HE22 GLN B 19 -4.529 -16.760 -5.564 1.00 1.36 H new ATOM 1720 N ASP B 20 -11.318 -13.680 -5.386 1.00 0.24 N ATOM 1721 CA ASP B 20 -12.063 -12.589 -4.763 1.00 0.24 C ATOM 1722 C ASP B 20 -11.841 -12.548 -3.257 1.00 0.23 C ATOM 1723 O ASP B 20 -11.762 -13.586 -2.598 1.00 0.23 O ATOM 1724 CB ASP B 20 -13.561 -12.695 -5.079 1.00 0.31 C ATOM 1725 CG ASP B 20 -14.232 -13.876 -4.409 1.00 0.41 C ATOM 1726 OD1 ASP B 20 -13.991 -15.030 -4.828 1.00 0.39 O1- ATOM 1727 OD2 ASP B 20 -15.021 -13.654 -3.468 1.00 1.64 O ATOM 0 H ASP B 20 -11.820 -14.567 -5.425 1.00 0.24 H new ATOM 0 HA ASP B 20 -11.685 -11.657 -5.184 1.00 0.24 H new ATOM 0 HB2 ASP B 20 -14.058 -11.777 -4.764 1.00 0.31 H new ATOM 0 HB3 ASP B 20 -13.693 -12.775 -6.158 1.00 0.31 H new ATOM 1732 N TYR B 21 -11.714 -11.338 -2.725 1.00 0.23 N ATOM 1733 CA TYR B 21 -11.497 -11.135 -1.298 1.00 0.22 C ATOM 1734 C TYR B 21 -12.426 -10.047 -0.772 1.00 0.24 C ATOM 1735 O TYR B 21 -12.959 -9.248 -1.544 1.00 0.36 O ATOM 1736 CB TYR B 21 -10.038 -10.753 -1.022 1.00 0.19 C ATOM 1737 CG TYR B 21 -9.040 -11.766 -1.530 1.00 0.17 C ATOM 1738 CD1 TYR B 21 -8.735 -12.897 -0.787 1.00 0.17 C ATOM 1739 CD2 TYR B 21 -8.410 -11.596 -2.756 1.00 0.16 C ATOM 1740 CE1 TYR B 21 -7.831 -13.830 -1.251 1.00 0.16 C ATOM 1741 CE2 TYR B 21 -7.507 -12.526 -3.229 1.00 0.15 C ATOM 1742 CZ TYR B 21 -7.222 -13.641 -2.474 1.00 0.15 C ATOM 1743 OH TYR B 21 -6.321 -14.571 -2.938 1.00 0.14 O ATOM 0 H TYR B 21 -11.758 -10.475 -3.267 1.00 0.23 H new ATOM 0 HA TYR B 21 -11.716 -12.070 -0.783 1.00 0.22 H new ATOM 0 HB2 TYR B 21 -9.830 -9.788 -1.484 1.00 0.19 H new ATOM 0 HB3 TYR B 21 -9.901 -10.628 0.052 1.00 0.19 H new ATOM 0 HD1 TYR B 21 -9.213 -13.049 0.170 1.00 0.17 H new ATOM 0 HD2 TYR B 21 -8.631 -10.721 -3.349 1.00 0.16 H new ATOM 0 HE1 TYR B 21 -7.601 -14.704 -0.660 1.00 0.16 H new ATOM 0 HE2 TYR B 21 -7.027 -12.380 -4.185 1.00 0.15 H new ATOM 0 HH TYR B 21 -5.983 -14.290 -3.814 1.00 0.14 H new ATOM 1753 N THR B 22 -12.612 -10.022 0.536 1.00 0.18 N ATOM 1754 CA THR B 22 -13.475 -9.042 1.175 1.00 0.18 C ATOM 1755 C THR B 22 -12.673 -8.132 2.102 1.00 0.16 C ATOM 1756 O THR B 22 -11.935 -8.608 2.965 1.00 0.21 O ATOM 1757 CB THR B 22 -14.570 -9.751 1.989 1.00 0.20 C ATOM 1758 OG1 THR B 22 -14.473 -11.169 1.788 1.00 0.54 O ATOM 1759 CG2 THR B 22 -15.953 -9.269 1.581 1.00 0.26 C ATOM 0 H THR B 22 -12.172 -10.676 1.183 1.00 0.18 H new ATOM 0 HA THR B 22 -13.932 -8.437 0.392 1.00 0.18 H new ATOM 0 HB THR B 22 -14.424 -9.515 3.043 1.00 0.20 H new ATOM 0 HG1 THR B 22 -15.170 -11.622 2.308 1.00 0.54 H new ATOM 0 HG21 THR B 22 -16.708 -9.787 2.173 1.00 0.26 H new ATOM 0 HG22 THR B 22 -16.030 -8.196 1.754 1.00 0.26 H new ATOM 0 HG23 THR B 22 -16.114 -9.478 0.524 1.00 0.26 H new ATOM 1767 N ILE B 23 -12.815 -6.823 1.917 1.00 0.11 N ATOM 1768 CA ILE B 23 -12.100 -5.846 2.738 1.00 0.11 C ATOM 1769 C ILE B 23 -13.006 -4.672 3.078 1.00 0.14 C ATOM 1770 O ILE B 23 -14.124 -4.585 2.582 1.00 0.32 O ATOM 1771 CB ILE B 23 -10.818 -5.303 2.059 1.00 0.07 C ATOM 1772 CG1 ILE B 23 -11.124 -4.642 0.696 1.00 0.07 C ATOM 1773 CG2 ILE B 23 -9.770 -6.400 1.930 1.00 0.03 C ATOM 1774 CD1 ILE B 23 -11.233 -5.595 -0.483 1.00 0.08 C ATOM 0 H ILE B 23 -13.419 -6.412 1.205 1.00 0.11 H new ATOM 0 HA ILE B 23 -11.801 -6.375 3.643 1.00 0.11 H new ATOM 0 HB ILE B 23 -10.409 -4.522 2.700 1.00 0.07 H new ATOM 0 HG12 ILE B 23 -12.059 -4.089 0.782 1.00 0.07 H new ATOM 0 HG13 ILE B 23 -10.342 -3.914 0.481 1.00 0.07 H new ATOM 0 HG21 ILE B 23 -8.878 -5.997 1.451 1.00 0.03 H new ATOM 0 HG22 ILE B 23 -9.512 -6.775 2.920 1.00 0.03 H new ATOM 0 HG23 ILE B 23 -10.169 -7.215 1.327 1.00 0.03 H new ATOM 0 HD11 ILE B 23 -11.449 -5.029 -1.389 1.00 0.08 H new ATOM 0 HD12 ILE B 23 -10.292 -6.131 -0.606 1.00 0.08 H new ATOM 0 HD13 ILE B 23 -12.036 -6.309 -0.301 1.00 0.08 H new ATOM 1786 N VAL B 24 -12.519 -3.767 3.912 1.00 0.16 N ATOM 1787 CA VAL B 24 -13.293 -2.602 4.311 1.00 0.17 C ATOM 1788 C VAL B 24 -13.079 -1.460 3.320 1.00 0.22 C ATOM 1789 O VAL B 24 -11.944 -1.130 2.979 1.00 0.28 O ATOM 1790 CB VAL B 24 -12.907 -2.130 5.730 1.00 0.19 C ATOM 1791 CG1 VAL B 24 -13.826 -1.010 6.192 1.00 0.20 C ATOM 1792 CG2 VAL B 24 -12.940 -3.289 6.717 1.00 0.18 C ATOM 0 H VAL B 24 -11.589 -3.817 4.327 1.00 0.16 H new ATOM 0 HA VAL B 24 -14.344 -2.890 4.316 1.00 0.17 H new ATOM 0 HB VAL B 24 -11.888 -1.746 5.691 1.00 0.19 H new ATOM 0 HG11 VAL B 24 -13.537 -0.692 7.194 1.00 0.20 H new ATOM 0 HG12 VAL B 24 -13.745 -0.167 5.506 1.00 0.20 H new ATOM 0 HG13 VAL B 24 -14.856 -1.367 6.208 1.00 0.20 H new ATOM 0 HG21 VAL B 24 -12.664 -2.930 7.709 1.00 0.18 H new ATOM 0 HG22 VAL B 24 -13.945 -3.710 6.750 1.00 0.18 H new ATOM 0 HG23 VAL B 24 -12.235 -4.057 6.400 1.00 0.18 H new ATOM 1802 N GLY B 25 -14.170 -0.870 2.852 1.00 0.21 N ATOM 1803 CA GLY B 25 -14.065 0.220 1.904 1.00 0.27 C ATOM 1804 C GLY B 25 -14.919 1.411 2.293 1.00 0.07 C ATOM 1805 O GLY B 25 -15.783 1.837 1.528 1.00 0.28 O ATOM 0 H GLY B 25 -15.123 -1.126 3.111 1.00 0.21 H new ATOM 0 HA2 GLY B 25 -13.024 0.533 1.829 1.00 0.27 H new ATOM 0 HA3 GLY B 25 -14.365 -0.131 0.917 1.00 0.27 H new ATOM 1809 N ALA B 26 -14.674 1.957 3.476 1.00 0.15 N ATOM 1810 CA ALA B 26 -15.436 3.099 3.963 1.00 0.36 C ATOM 1811 C ALA B 26 -14.786 4.419 3.555 1.00 0.34 C ATOM 1812 O ALA B 26 -14.474 5.259 4.401 1.00 0.57 O ATOM 1813 CB ALA B 26 -15.576 3.024 5.475 1.00 0.61 C ATOM 0 H ALA B 26 -13.953 1.627 4.117 1.00 0.15 H new ATOM 0 HA ALA B 26 -16.426 3.063 3.509 1.00 0.36 H new ATOM 0 HB1 ALA B 26 -16.147 3.882 5.831 1.00 0.61 H new ATOM 0 HB2 ALA B 26 -16.095 2.105 5.747 1.00 0.61 H new ATOM 0 HB3 ALA B 26 -14.587 3.032 5.933 1.00 0.61 H new ATOM 1819 N GLU B 27 -14.583 4.593 2.260 1.00 0.08 N ATOM 1820 CA GLU B 27 -13.978 5.807 1.734 1.00 0.06 C ATOM 1821 C GLU B 27 -14.769 6.296 0.524 1.00 0.07 C ATOM 1822 O GLU B 27 -15.338 7.385 0.540 1.00 0.08 O ATOM 1823 CB GLU B 27 -12.510 5.552 1.370 1.00 0.06 C ATOM 1824 CG GLU B 27 -11.759 6.801 0.943 1.00 0.97 C ATOM 1825 CD GLU B 27 -11.293 6.735 -0.498 1.00 1.82 C ATOM 1826 OE1 GLU B 27 -10.286 6.049 -0.774 1.00 2.44 O1- ATOM 1827 OE2 GLU B 27 -11.944 7.361 -1.358 1.00 2.18 O ATOM 0 H GLU B 27 -14.830 3.905 1.549 1.00 0.08 H new ATOM 0 HA GLU B 27 -14.004 6.584 2.498 1.00 0.06 H new ATOM 0 HB2 GLU B 27 -12.004 5.111 2.229 1.00 0.06 H new ATOM 0 HB3 GLU B 27 -12.467 4.820 0.564 1.00 0.06 H new ATOM 0 HG2 GLU B 27 -12.403 7.671 1.074 1.00 0.97 H new ATOM 0 HG3 GLU B 27 -10.896 6.943 1.594 1.00 0.97 H new ATOM 1834 N SER B 28 -14.824 5.467 -0.506 1.00 0.08 N ATOM 1835 CA SER B 28 -15.548 5.790 -1.721 1.00 0.11 C ATOM 1836 C SER B 28 -15.700 4.531 -2.563 1.00 0.14 C ATOM 1837 O SER B 28 -14.718 3.827 -2.816 1.00 0.14 O ATOM 1838 CB SER B 28 -14.816 6.888 -2.507 1.00 0.16 C ATOM 1839 OG SER B 28 -15.247 6.950 -3.861 1.00 0.98 O ATOM 0 H SER B 28 -14.369 4.554 -0.522 1.00 0.08 H new ATOM 0 HA SER B 28 -16.537 6.168 -1.464 1.00 0.11 H new ATOM 0 HB2 SER B 28 -14.986 7.852 -2.028 1.00 0.16 H new ATOM 0 HB3 SER B 28 -13.742 6.702 -2.476 1.00 0.16 H new ATOM 0 HG SER B 28 -14.760 7.661 -4.327 1.00 0.98 H new ATOM 1845 N PRO B 29 -16.935 4.221 -2.999 1.00 0.17 N ATOM 1846 CA PRO B 29 -17.214 3.030 -3.809 1.00 0.21 C ATOM 1847 C PRO B 29 -16.437 3.021 -5.126 1.00 0.18 C ATOM 1848 O PRO B 29 -16.218 1.966 -5.721 1.00 0.20 O ATOM 1849 CB PRO B 29 -18.723 3.105 -4.070 1.00 0.30 C ATOM 1850 CG PRO B 29 -19.102 4.520 -3.790 1.00 0.28 C ATOM 1851 CD PRO B 29 -18.155 5.002 -2.731 1.00 0.18 C ATOM 0 HA PRO B 29 -16.909 2.117 -3.297 1.00 0.21 H new ATOM 0 HB2 PRO B 29 -18.958 2.831 -5.099 1.00 0.30 H new ATOM 0 HB3 PRO B 29 -19.268 2.417 -3.424 1.00 0.30 H new ATOM 0 HG2 PRO B 29 -19.024 5.130 -4.690 1.00 0.28 H new ATOM 0 HG3 PRO B 29 -20.135 4.587 -3.449 1.00 0.28 H new ATOM 0 HD2 PRO B 29 -17.974 6.074 -2.809 1.00 0.18 H new ATOM 0 HD3 PRO B 29 -18.541 4.816 -1.729 1.00 0.18 H new ATOM 1859 N ALA B 30 -16.017 4.201 -5.567 1.00 0.18 N ATOM 1860 CA ALA B 30 -15.260 4.332 -6.804 1.00 0.16 C ATOM 1861 C ALA B 30 -13.775 4.105 -6.552 1.00 0.10 C ATOM 1862 O ALA B 30 -13.101 3.412 -7.312 1.00 0.05 O ATOM 1863 CB ALA B 30 -15.491 5.701 -7.422 1.00 0.20 C ATOM 0 H ALA B 30 -16.189 5.083 -5.084 1.00 0.18 H new ATOM 0 HA ALA B 30 -15.608 3.572 -7.503 1.00 0.16 H new ATOM 0 HB1 ALA B 30 -14.919 5.784 -8.346 1.00 0.20 H new ATOM 0 HB2 ALA B 30 -16.552 5.828 -7.639 1.00 0.20 H new ATOM 0 HB3 ALA B 30 -15.169 6.474 -6.725 1.00 0.20 H new ATOM 1869 N HIS B 31 -13.274 4.685 -5.465 1.00 0.15 N ATOM 1870 CA HIS B 31 -11.862 4.553 -5.098 1.00 0.13 C ATOM 1871 C HIS B 31 -11.499 3.094 -4.856 1.00 0.07 C ATOM 1872 O HIS B 31 -10.565 2.567 -5.456 1.00 0.05 O ATOM 1873 CB HIS B 31 -11.548 5.349 -3.826 1.00 0.20 C ATOM 1874 CG HIS B 31 -10.898 6.679 -4.056 1.00 0.38 C ATOM 1875 ND1 HIS B 31 -9.564 6.913 -3.811 1.00 0.76 N ATOM 1876 CD2 HIS B 31 -11.412 7.862 -4.463 1.00 1.42 C ATOM 1877 CE1 HIS B 31 -9.287 8.178 -4.051 1.00 0.48 C ATOM 1878 NE2 HIS B 31 -10.389 8.782 -4.452 1.00 1.22 N ATOM 0 H HIS B 31 -13.824 5.253 -4.820 1.00 0.15 H new ATOM 0 HA HIS B 31 -11.276 4.946 -5.929 1.00 0.13 H new ATOM 0 HB2 HIS B 31 -12.475 5.505 -3.275 1.00 0.20 H new ATOM 0 HB3 HIS B 31 -10.897 4.748 -3.191 1.00 0.20 H new ATOM 0 HD2 HIS B 31 -12.437 8.050 -4.745 1.00 1.42 H new ATOM 0 HE1 HIS B 31 -8.319 8.643 -3.938 1.00 0.48 H new ATOM 0 HE2 HIS B 31 -10.469 9.765 -4.710 1.00 1.22 H new ATOM 1887 N ILE B 32 -12.266 2.444 -3.988 1.00 0.08 N ATOM 1888 CA ILE B 32 -12.027 1.050 -3.623 1.00 0.08 C ATOM 1889 C ILE B 32 -12.185 0.100 -4.810 1.00 0.07 C ATOM 1890 O ILE B 32 -11.725 -1.039 -4.764 1.00 0.14 O ATOM 1891 CB ILE B 32 -12.961 0.599 -2.476 1.00 0.11 C ATOM 1892 CG1 ILE B 32 -14.430 0.601 -2.935 1.00 0.13 C ATOM 1893 CG2 ILE B 32 -12.764 1.498 -1.261 1.00 0.12 C ATOM 1894 CD1 ILE B 32 -15.415 0.167 -1.869 1.00 0.10 C ATOM 0 H ILE B 32 -13.068 2.865 -3.519 1.00 0.08 H new ATOM 0 HA ILE B 32 -10.992 1.001 -3.285 1.00 0.08 H new ATOM 0 HB ILE B 32 -12.705 -0.423 -2.195 1.00 0.11 H new ATOM 0 HG12 ILE B 32 -14.693 1.605 -3.270 1.00 0.13 H new ATOM 0 HG13 ILE B 32 -14.530 -0.059 -3.797 1.00 0.13 H new ATOM 0 HG21 ILE B 32 -13.425 1.174 -0.457 1.00 0.12 H new ATOM 0 HG22 ILE B 32 -11.729 1.436 -0.926 1.00 0.12 H new ATOM 0 HG23 ILE B 32 -12.997 2.528 -1.529 1.00 0.12 H new ATOM 0 HD11 ILE B 32 -16.426 0.197 -2.274 1.00 0.10 H new ATOM 0 HD12 ILE B 32 -15.182 -0.849 -1.550 1.00 0.10 H new ATOM 0 HD13 ILE B 32 -15.347 0.840 -1.015 1.00 0.10 H new ATOM 1906 N ARG B 33 -12.817 0.570 -5.875 1.00 0.07 N ATOM 1907 CA ARG B 33 -13.021 -0.255 -7.054 1.00 0.05 C ATOM 1908 C ARG B 33 -11.731 -0.396 -7.852 1.00 0.04 C ATOM 1909 O ARG B 33 -11.375 -1.489 -8.291 1.00 0.05 O ATOM 1910 CB ARG B 33 -14.114 0.338 -7.943 1.00 0.07 C ATOM 1911 CG ARG B 33 -14.767 -0.680 -8.859 1.00 0.59 C ATOM 1912 CD ARG B 33 -15.789 -1.516 -8.112 1.00 0.36 C ATOM 1913 NE ARG B 33 -16.306 -2.614 -8.925 1.00 0.42 N ATOM 1914 CZ ARG B 33 -17.347 -3.365 -8.578 1.00 0.84 C ATOM 1915 NH1 ARG B 33 -17.990 -3.126 -7.439 1.00 1.03 N1+ ATOM 1916 NH2 ARG B 33 -17.755 -4.349 -9.372 1.00 1.46 N ATOM 0 H ARG B 33 -13.196 1.514 -5.946 1.00 0.07 H new ATOM 0 HA ARG B 33 -13.333 -1.244 -6.717 1.00 0.05 H new ATOM 0 HB2 ARG B 33 -14.879 0.791 -7.312 1.00 0.07 H new ATOM 0 HB3 ARG B 33 -13.686 1.137 -8.548 1.00 0.07 H new ATOM 0 HG2 ARG B 33 -15.251 -0.167 -9.690 1.00 0.59 H new ATOM 0 HG3 ARG B 33 -14.004 -1.330 -9.286 1.00 0.59 H new ATOM 0 HD2 ARG B 33 -15.334 -1.919 -7.207 1.00 0.36 H new ATOM 0 HD3 ARG B 33 -16.616 -0.879 -7.797 1.00 0.36 H new ATOM 0 HE ARG B 33 -15.841 -2.816 -9.810 1.00 0.42 H new ATOM 0 HH11 ARG B 33 -17.685 -2.366 -6.831 1.00 1.03 H new ATOM 0 HH12 ARG B 33 -18.788 -3.702 -7.173 1.00 1.03 H new ATOM 0 HH21 ARG B 33 -17.269 -4.530 -10.250 1.00 1.46 H new ATOM 0 HH22 ARG B 33 -18.554 -4.923 -9.103 1.00 1.46 H new ATOM 1930 N LEU B 34 -11.019 0.710 -8.016 1.00 0.06 N ATOM 1931 CA LEU B 34 -9.777 0.705 -8.775 1.00 0.09 C ATOM 1932 C LEU B 34 -8.625 0.145 -7.942 1.00 0.08 C ATOM 1933 O LEU B 34 -7.584 -0.234 -8.479 1.00 0.12 O ATOM 1934 CB LEU B 34 -9.452 2.119 -9.282 1.00 0.12 C ATOM 1935 CG LEU B 34 -8.922 3.103 -8.240 1.00 0.10 C ATOM 1936 CD1 LEU B 34 -7.432 3.342 -8.440 1.00 0.09 C ATOM 1937 CD2 LEU B 34 -9.686 4.416 -8.315 1.00 0.14 C ATOM 0 H LEU B 34 -11.279 1.620 -7.635 1.00 0.06 H new ATOM 0 HA LEU B 34 -9.908 0.052 -9.638 1.00 0.09 H new ATOM 0 HB2 LEU B 34 -8.715 2.036 -10.081 1.00 0.12 H new ATOM 0 HB3 LEU B 34 -10.355 2.541 -9.724 1.00 0.12 H new ATOM 0 HG LEU B 34 -9.071 2.671 -7.250 1.00 0.10 H new ATOM 0 HD11 LEU B 34 -7.072 4.045 -7.689 1.00 0.09 H new ATOM 0 HD12 LEU B 34 -6.896 2.398 -8.340 1.00 0.09 H new ATOM 0 HD13 LEU B 34 -7.260 3.754 -9.434 1.00 0.09 H new ATOM 0 HD21 LEU B 34 -9.297 5.107 -7.567 1.00 0.14 H new ATOM 0 HD22 LEU B 34 -9.566 4.851 -9.307 1.00 0.14 H new ATOM 0 HD23 LEU B 34 -10.744 4.233 -8.125 1.00 0.14 H new ATOM 1949 N VAL B 35 -8.827 0.082 -6.629 1.00 0.05 N ATOM 1950 CA VAL B 35 -7.815 -0.438 -5.716 1.00 0.08 C ATOM 1951 C VAL B 35 -7.441 -1.874 -6.078 1.00 0.08 C ATOM 1952 O VAL B 35 -6.260 -2.230 -6.120 1.00 0.11 O ATOM 1953 CB VAL B 35 -8.304 -0.384 -4.250 1.00 0.09 C ATOM 1954 CG1 VAL B 35 -7.389 -1.181 -3.337 1.00 0.14 C ATOM 1955 CG2 VAL B 35 -8.394 1.052 -3.770 1.00 0.09 C ATOM 0 H VAL B 35 -9.687 0.386 -6.172 1.00 0.05 H new ATOM 0 HA VAL B 35 -6.933 0.195 -5.814 1.00 0.08 H new ATOM 0 HB VAL B 35 -9.297 -0.831 -4.215 1.00 0.09 H new ATOM 0 HG11 VAL B 35 -7.758 -1.125 -2.313 1.00 0.14 H new ATOM 0 HG12 VAL B 35 -7.370 -2.222 -3.659 1.00 0.14 H new ATOM 0 HG13 VAL B 35 -6.381 -0.769 -3.383 1.00 0.14 H new ATOM 0 HG21 VAL B 35 -8.740 1.069 -2.736 1.00 0.09 H new ATOM 0 HG22 VAL B 35 -7.411 1.518 -3.831 1.00 0.09 H new ATOM 0 HG23 VAL B 35 -9.096 1.602 -4.397 1.00 0.09 H new ATOM 1965 N ALA B 36 -8.453 -2.684 -6.363 1.00 0.07 N ATOM 1966 CA ALA B 36 -8.241 -4.080 -6.719 1.00 0.07 C ATOM 1967 C ALA B 36 -7.404 -4.208 -7.985 1.00 0.09 C ATOM 1968 O ALA B 36 -6.449 -4.976 -8.026 1.00 0.09 O ATOM 1969 CB ALA B 36 -9.574 -4.785 -6.904 1.00 0.08 C ATOM 0 H ALA B 36 -9.432 -2.396 -6.354 1.00 0.07 H new ATOM 0 HA ALA B 36 -7.695 -4.553 -5.903 1.00 0.07 H new ATOM 0 HB1 ALA B 36 -9.400 -5.828 -7.170 1.00 0.08 H new ATOM 0 HB2 ALA B 36 -10.143 -4.737 -5.975 1.00 0.08 H new ATOM 0 HB3 ALA B 36 -10.137 -4.297 -7.700 1.00 0.08 H new ATOM 1975 N ALA B 37 -7.756 -3.430 -9.000 1.00 0.12 N ATOM 1976 CA ALA B 37 -7.051 -3.456 -10.275 1.00 0.15 C ATOM 1977 C ALA B 37 -5.592 -3.041 -10.115 1.00 0.17 C ATOM 1978 O ALA B 37 -4.708 -3.569 -10.793 1.00 0.19 O ATOM 1979 CB ALA B 37 -7.751 -2.550 -11.273 1.00 0.21 C ATOM 0 H ALA B 37 -8.531 -2.768 -8.964 1.00 0.12 H new ATOM 0 HA ALA B 37 -7.065 -4.480 -10.648 1.00 0.15 H new ATOM 0 HB1 ALA B 37 -7.218 -2.575 -12.223 1.00 0.21 H new ATOM 0 HB2 ALA B 37 -8.774 -2.895 -11.422 1.00 0.21 H new ATOM 0 HB3 ALA B 37 -7.764 -1.529 -10.891 1.00 0.21 H new ATOM 1985 N PHE B 38 -5.346 -2.096 -9.214 1.00 0.16 N ATOM 1986 CA PHE B 38 -3.996 -1.610 -8.961 1.00 0.18 C ATOM 1987 C PHE B 38 -3.125 -2.716 -8.367 1.00 0.15 C ATOM 1988 O PHE B 38 -2.000 -2.947 -8.819 1.00 0.16 O ATOM 1989 CB PHE B 38 -4.044 -0.400 -8.019 1.00 0.23 C ATOM 1990 CG PHE B 38 -2.696 0.200 -7.735 1.00 0.20 C ATOM 1991 CD1 PHE B 38 -1.947 0.763 -8.754 1.00 0.28 C ATOM 1992 CD2 PHE B 38 -2.182 0.197 -6.449 1.00 0.37 C ATOM 1993 CE1 PHE B 38 -0.705 1.312 -8.496 1.00 0.27 C ATOM 1994 CE2 PHE B 38 -0.943 0.744 -6.186 1.00 0.36 C ATOM 1995 CZ PHE B 38 -0.204 1.302 -7.209 1.00 0.14 C ATOM 0 H PHE B 38 -6.067 -1.651 -8.646 1.00 0.16 H new ATOM 0 HA PHE B 38 -3.553 -1.303 -9.908 1.00 0.18 H new ATOM 0 HB2 PHE B 38 -4.687 0.364 -8.456 1.00 0.23 H new ATOM 0 HB3 PHE B 38 -4.503 -0.702 -7.078 1.00 0.23 H new ATOM 0 HD1 PHE B 38 -2.337 0.773 -9.761 1.00 0.28 H new ATOM 0 HD2 PHE B 38 -2.757 -0.238 -5.644 1.00 0.37 H new ATOM 0 HE1 PHE B 38 -0.128 1.747 -9.298 1.00 0.27 H new ATOM 0 HE2 PHE B 38 -0.552 0.735 -5.179 1.00 0.36 H new ATOM 0 HZ PHE B 38 0.766 1.731 -7.003 1.00 0.14 H new ATOM 2005 N VAL B 39 -3.654 -3.406 -7.363 1.00 0.14 N ATOM 2006 CA VAL B 39 -2.925 -4.492 -6.711 1.00 0.14 C ATOM 2007 C VAL B 39 -2.809 -5.689 -7.648 1.00 0.14 C ATOM 2008 O VAL B 39 -1.754 -6.323 -7.740 1.00 0.19 O ATOM 2009 CB VAL B 39 -3.611 -4.927 -5.399 1.00 0.15 C ATOM 2010 CG1 VAL B 39 -2.809 -6.016 -4.700 1.00 0.15 C ATOM 2011 CG2 VAL B 39 -3.800 -3.728 -4.482 1.00 0.22 C ATOM 0 H VAL B 39 -4.584 -3.234 -6.982 1.00 0.14 H new ATOM 0 HA VAL B 39 -1.929 -4.120 -6.469 1.00 0.14 H new ATOM 0 HB VAL B 39 -4.591 -5.337 -5.644 1.00 0.15 H new ATOM 0 HG11 VAL B 39 -3.314 -6.305 -3.778 1.00 0.15 H new ATOM 0 HG12 VAL B 39 -2.725 -6.883 -5.355 1.00 0.15 H new ATOM 0 HG13 VAL B 39 -1.813 -5.641 -4.466 1.00 0.15 H new ATOM 0 HG21 VAL B 39 -4.285 -4.048 -3.560 1.00 0.22 H new ATOM 0 HG22 VAL B 39 -2.829 -3.292 -4.249 1.00 0.22 H new ATOM 0 HG23 VAL B 39 -4.422 -2.984 -4.980 1.00 0.22 H new ATOM 2021 N ASP B 40 -3.899 -5.975 -8.354 1.00 0.14 N ATOM 2022 CA ASP B 40 -3.948 -7.080 -9.306 1.00 0.21 C ATOM 2023 C ASP B 40 -2.844 -6.930 -10.344 1.00 0.27 C ATOM 2024 O ASP B 40 -2.169 -7.897 -10.699 1.00 0.34 O ATOM 2025 CB ASP B 40 -5.319 -7.112 -9.996 1.00 0.21 C ATOM 2026 CG ASP B 40 -5.471 -8.250 -10.982 1.00 0.33 C ATOM 2027 OD1 ASP B 40 -5.045 -8.101 -12.144 1.00 0.47 O ATOM 2028 OD2 ASP B 40 -6.048 -9.293 -10.607 1.00 0.32 O1- ATOM 0 H ASP B 40 -4.770 -5.449 -8.283 1.00 0.14 H new ATOM 0 HA ASP B 40 -3.797 -8.016 -8.769 1.00 0.21 H new ATOM 0 HB2 ASP B 40 -6.097 -7.193 -9.237 1.00 0.21 H new ATOM 0 HB3 ASP B 40 -5.478 -6.167 -10.516 1.00 0.21 H new ATOM 2033 N ASP B 41 -2.650 -5.699 -10.798 1.00 0.28 N ATOM 2034 CA ASP B 41 -1.631 -5.391 -11.792 1.00 0.37 C ATOM 2035 C ASP B 41 -0.235 -5.463 -11.187 1.00 0.32 C ATOM 2036 O ASP B 41 0.682 -6.018 -11.792 1.00 0.32 O ATOM 2037 CB ASP B 41 -1.871 -4.001 -12.375 1.00 0.46 C ATOM 2038 CG ASP B 41 -0.740 -3.544 -13.273 1.00 0.78 C ATOM 2039 OD1 ASP B 41 -0.672 -4.007 -14.431 1.00 0.92 O ATOM 2040 OD2 ASP B 41 0.071 -2.703 -12.829 1.00 1.11 O1- ATOM 0 H ASP B 41 -3.191 -4.891 -10.490 1.00 0.28 H new ATOM 0 HA ASP B 41 -1.699 -6.134 -12.587 1.00 0.37 H new ATOM 0 HB2 ASP B 41 -2.802 -4.004 -12.942 1.00 0.46 H new ATOM 0 HB3 ASP B 41 -1.996 -3.286 -11.562 1.00 0.46 H new ATOM 2045 N LYS B 42 -0.084 -4.916 -9.983 1.00 0.28 N ATOM 2046 CA LYS B 42 1.207 -4.910 -9.303 1.00 0.24 C ATOM 2047 C LYS B 42 1.713 -6.337 -9.084 1.00 0.20 C ATOM 2048 O LYS B 42 2.889 -6.632 -9.295 1.00 0.18 O ATOM 2049 CB LYS B 42 1.109 -4.167 -7.969 1.00 0.24 C ATOM 2050 CG LYS B 42 2.455 -3.689 -7.447 1.00 0.21 C ATOM 2051 CD LYS B 42 2.423 -2.220 -7.055 1.00 0.40 C ATOM 2052 CE LYS B 42 2.332 -1.305 -8.269 1.00 0.55 C ATOM 2053 NZ LYS B 42 3.657 -1.086 -8.908 1.00 0.48 N1+ ATOM 0 H LYS B 42 -0.839 -4.472 -9.460 1.00 0.28 H new ATOM 0 HA LYS B 42 1.922 -4.388 -9.938 1.00 0.24 H new ATOM 0 HB2 LYS B 42 0.447 -3.309 -8.087 1.00 0.24 H new ATOM 0 HB3 LYS B 42 0.652 -4.823 -7.228 1.00 0.24 H new ATOM 0 HG2 LYS B 42 2.743 -4.289 -6.584 1.00 0.21 H new ATOM 0 HG3 LYS B 42 3.216 -3.844 -8.211 1.00 0.21 H new ATOM 0 HD2 LYS B 42 1.571 -2.038 -6.400 1.00 0.40 H new ATOM 0 HD3 LYS B 42 3.320 -1.978 -6.485 1.00 0.40 H new ATOM 0 HE2 LYS B 42 1.646 -1.738 -8.997 1.00 0.55 H new ATOM 0 HE3 LYS B 42 1.913 -0.345 -7.968 1.00 0.55 H new ATOM 0 HZ1 LYS B 42 3.579 -0.331 -9.619 1.00 0.48 H new ATOM 0 HZ2 LYS B 42 4.350 -0.809 -8.184 1.00 0.48 H new ATOM 0 HZ3 LYS B 42 3.970 -1.964 -9.369 1.00 0.48 H new ATOM 2067 N MET B 43 0.822 -7.224 -8.662 1.00 0.21 N ATOM 2068 CA MET B 43 1.188 -8.619 -8.440 1.00 0.19 C ATOM 2069 C MET B 43 1.431 -9.318 -9.769 1.00 0.17 C ATOM 2070 O MET B 43 2.203 -10.273 -9.857 1.00 0.18 O ATOM 2071 CB MET B 43 0.096 -9.353 -7.663 1.00 0.24 C ATOM 2072 CG MET B 43 0.022 -8.971 -6.194 1.00 0.25 C ATOM 2073 SD MET B 43 -1.185 -9.950 -5.280 1.00 0.31 S ATOM 2074 CE MET B 43 -0.457 -11.582 -5.405 1.00 0.24 C ATOM 0 H MET B 43 -0.155 -7.005 -8.467 1.00 0.21 H new ATOM 0 HA MET B 43 2.105 -8.637 -7.851 1.00 0.19 H new ATOM 0 HB2 MET B 43 -0.868 -9.150 -8.130 1.00 0.24 H new ATOM 0 HB3 MET B 43 0.268 -10.427 -7.741 1.00 0.24 H new ATOM 0 HG2 MET B 43 1.005 -9.097 -5.740 1.00 0.25 H new ATOM 0 HG3 MET B 43 -0.234 -7.915 -6.110 1.00 0.25 H new ATOM 0 HE1 MET B 43 -0.738 -12.173 -4.533 1.00 0.24 H new ATOM 0 HE2 MET B 43 -0.818 -12.073 -6.309 1.00 0.24 H new ATOM 0 HE3 MET B 43 0.629 -11.494 -5.449 1.00 0.24 H new ATOM 2084 N HIS B 44 0.780 -8.820 -10.807 1.00 0.16 N ATOM 2085 CA HIS B 44 0.905 -9.387 -12.139 1.00 0.19 C ATOM 2086 C HIS B 44 2.236 -8.998 -12.782 1.00 0.25 C ATOM 2087 O HIS B 44 2.755 -9.722 -13.626 1.00 0.61 O ATOM 2088 CB HIS B 44 -0.264 -8.915 -13.006 1.00 0.26 C ATOM 2089 CG HIS B 44 -0.460 -9.700 -14.266 1.00 0.47 C ATOM 2090 ND1 HIS B 44 -0.600 -9.112 -15.503 1.00 0.54 N ATOM 2091 CD2 HIS B 44 -0.564 -11.034 -14.477 1.00 1.09 C ATOM 2092 CE1 HIS B 44 -0.778 -10.045 -16.416 1.00 1.18 C ATOM 2093 NE2 HIS B 44 -0.762 -11.220 -15.821 1.00 1.53 N ATOM 0 H HIS B 44 0.154 -8.017 -10.751 1.00 0.16 H new ATOM 0 HA HIS B 44 0.881 -10.474 -12.058 1.00 0.19 H new ATOM 0 HB2 HIS B 44 -1.180 -8.964 -12.417 1.00 0.26 H new ATOM 0 HB3 HIS B 44 -0.107 -7.868 -13.266 1.00 0.26 H new ATOM 0 HD2 HIS B 44 -0.502 -11.808 -13.726 1.00 1.09 H new ATOM 0 HE1 HIS B 44 -0.914 -9.875 -17.474 1.00 1.18 H new ATOM 0 HE2 HIS B 44 -0.878 -12.121 -16.284 1.00 1.53 H new ATOM 2102 N GLU B 45 2.789 -7.864 -12.376 1.00 0.14 N ATOM 2103 CA GLU B 45 4.050 -7.392 -12.939 1.00 0.11 C ATOM 2104 C GLU B 45 5.264 -7.883 -12.145 1.00 0.07 C ATOM 2105 O GLU B 45 6.335 -8.100 -12.713 1.00 0.03 O ATOM 2106 CB GLU B 45 4.066 -5.861 -12.994 1.00 0.10 C ATOM 2107 CG GLU B 45 4.309 -5.205 -11.637 1.00 0.07 C ATOM 2108 CD GLU B 45 4.431 -3.701 -11.715 1.00 0.22 C ATOM 2109 OE1 GLU B 45 5.038 -3.200 -12.683 1.00 0.43 O1- ATOM 2110 OE2 GLU B 45 3.926 -3.012 -10.801 1.00 0.49 O ATOM 0 H GLU B 45 2.388 -7.255 -11.663 1.00 0.14 H new ATOM 0 HA GLU B 45 4.121 -7.804 -13.946 1.00 0.11 H new ATOM 0 HB2 GLU B 45 4.842 -5.538 -13.689 1.00 0.10 H new ATOM 0 HB3 GLU B 45 3.114 -5.510 -13.393 1.00 0.10 H new ATOM 0 HG2 GLU B 45 3.490 -5.462 -10.965 1.00 0.07 H new ATOM 0 HG3 GLU B 45 5.220 -5.615 -11.201 1.00 0.07 H new ATOM 2117 N PHE B 46 5.101 -8.065 -10.841 1.00 0.11 N ATOM 2118 CA PHE B 46 6.213 -8.488 -9.996 1.00 0.10 C ATOM 2119 C PHE B 46 6.296 -10.003 -9.834 1.00 0.10 C ATOM 2120 O PHE B 46 7.166 -10.501 -9.116 1.00 0.11 O ATOM 2121 CB PHE B 46 6.117 -7.822 -8.623 1.00 0.11 C ATOM 2122 CG PHE B 46 6.521 -6.374 -8.629 1.00 0.13 C ATOM 2123 CD1 PHE B 46 7.795 -5.999 -9.026 1.00 0.14 C ATOM 2124 CD2 PHE B 46 5.632 -5.389 -8.232 1.00 0.16 C ATOM 2125 CE1 PHE B 46 8.170 -4.669 -9.035 1.00 0.14 C ATOM 2126 CE2 PHE B 46 6.000 -4.058 -8.240 1.00 0.17 C ATOM 2127 CZ PHE B 46 7.273 -3.697 -8.637 1.00 0.15 C ATOM 0 H PHE B 46 4.219 -7.928 -10.348 1.00 0.11 H new ATOM 0 HA PHE B 46 7.126 -8.171 -10.500 1.00 0.10 H new ATOM 0 HB2 PHE B 46 5.093 -7.904 -8.259 1.00 0.11 H new ATOM 0 HB3 PHE B 46 6.749 -8.364 -7.920 1.00 0.11 H new ATOM 0 HD1 PHE B 46 8.503 -6.755 -9.332 1.00 0.14 H new ATOM 0 HD2 PHE B 46 4.638 -5.665 -7.912 1.00 0.16 H new ATOM 0 HE1 PHE B 46 9.164 -4.390 -9.353 1.00 0.14 H new ATOM 0 HE2 PHE B 46 5.293 -3.300 -7.936 1.00 0.17 H new ATOM 0 HZ PHE B 46 7.566 -2.658 -8.636 1.00 0.15 H new ATOM 2137 N SER B 47 5.427 -10.737 -10.517 1.00 0.09 N ATOM 2138 CA SER B 47 5.419 -12.200 -10.431 1.00 0.10 C ATOM 2139 C SER B 47 6.693 -12.793 -11.035 1.00 0.09 C ATOM 2140 O SER B 47 7.053 -13.937 -10.756 1.00 0.13 O ATOM 2141 CB SER B 47 4.191 -12.754 -11.153 1.00 0.13 C ATOM 2142 OG SER B 47 3.862 -11.948 -12.272 1.00 0.49 O ATOM 0 H SER B 47 4.717 -10.348 -11.138 1.00 0.09 H new ATOM 0 HA SER B 47 5.379 -12.482 -9.379 1.00 0.10 H new ATOM 0 HB2 SER B 47 4.385 -13.776 -11.479 1.00 0.13 H new ATOM 0 HB3 SER B 47 3.346 -12.793 -10.466 1.00 0.13 H new ATOM 0 HG SER B 47 3.075 -12.319 -12.722 1.00 0.49 H new ATOM 2148 N GLU B 48 7.375 -11.990 -11.842 1.00 0.13 N ATOM 2149 CA GLU B 48 8.605 -12.408 -12.511 1.00 0.12 C ATOM 2150 C GLU B 48 9.837 -12.259 -11.613 1.00 0.09 C ATOM 2151 O GLU B 48 10.896 -12.809 -11.917 1.00 0.07 O ATOM 2152 CB GLU B 48 8.814 -11.574 -13.774 1.00 0.15 C ATOM 2153 CG GLU B 48 8.924 -10.083 -13.495 1.00 0.17 C ATOM 2154 CD GLU B 48 9.745 -9.358 -14.533 1.00 0.71 C ATOM 2155 OE1 GLU B 48 9.354 -9.377 -15.717 1.00 1.67 O ATOM 2156 OE2 GLU B 48 10.770 -8.747 -14.166 1.00 0.76 O1- ATOM 0 H GLU B 48 7.094 -11.032 -12.052 1.00 0.13 H new ATOM 0 HA GLU B 48 8.492 -13.464 -12.758 1.00 0.12 H new ATOM 0 HB2 GLU B 48 9.720 -11.911 -14.278 1.00 0.15 H new ATOM 0 HB3 GLU B 48 7.984 -11.749 -14.459 1.00 0.15 H new ATOM 0 HG2 GLU B 48 7.925 -9.649 -13.459 1.00 0.17 H new ATOM 0 HG3 GLU B 48 9.372 -9.933 -12.513 1.00 0.17 H new ATOM 2163 N LYS B 49 9.702 -11.520 -10.519 1.00 0.10 N ATOM 2164 CA LYS B 49 10.832 -11.297 -9.621 1.00 0.10 C ATOM 2165 C LYS B 49 11.151 -12.563 -8.838 1.00 0.15 C ATOM 2166 O LYS B 49 12.284 -13.042 -8.869 1.00 0.23 O ATOM 2167 CB LYS B 49 10.555 -10.125 -8.671 1.00 0.09 C ATOM 2168 CG LYS B 49 10.090 -8.848 -9.372 1.00 0.12 C ATOM 2169 CD LYS B 49 11.038 -8.419 -10.490 1.00 0.05 C ATOM 2170 CE LYS B 49 10.606 -7.102 -11.123 1.00 1.11 C ATOM 2171 NZ LYS B 49 11.368 -6.807 -12.364 1.00 1.14 N1+ ATOM 0 H LYS B 49 8.833 -11.069 -10.233 1.00 0.10 H new ATOM 0 HA LYS B 49 11.701 -11.040 -10.226 1.00 0.10 H new ATOM 0 HB2 LYS B 49 9.796 -10.428 -7.950 1.00 0.09 H new ATOM 0 HB3 LYS B 49 11.462 -9.907 -8.107 1.00 0.09 H new ATOM 0 HG2 LYS B 49 9.094 -9.006 -9.785 1.00 0.12 H new ATOM 0 HG3 LYS B 49 10.008 -8.044 -8.640 1.00 0.12 H new ATOM 0 HD2 LYS B 49 12.047 -8.317 -10.092 1.00 0.05 H new ATOM 0 HD3 LYS B 49 11.074 -9.195 -11.254 1.00 0.05 H new ATOM 0 HE2 LYS B 49 9.541 -7.141 -11.352 1.00 1.11 H new ATOM 0 HE3 LYS B 49 10.749 -6.292 -10.408 1.00 1.11 H new ATOM 0 HZ1 LYS B 49 11.056 -5.895 -12.754 1.00 1.14 H new ATOM 0 HZ2 LYS B 49 12.384 -6.761 -12.145 1.00 1.14 H new ATOM 0 HZ3 LYS B 49 11.198 -7.559 -13.063 1.00 1.14 H new ATOM 2185 N GLN B 50 10.137 -13.100 -8.157 1.00 0.20 N ATOM 2186 CA GLN B 50 10.278 -14.325 -7.366 1.00 0.30 C ATOM 2187 C GLN B 50 11.452 -14.244 -6.387 1.00 0.13 C ATOM 2188 O GLN B 50 12.510 -14.831 -6.624 1.00 0.29 O ATOM 2189 CB GLN B 50 10.449 -15.532 -8.291 1.00 0.53 C ATOM 2190 CG GLN B 50 9.324 -15.679 -9.295 1.00 1.05 C ATOM 2191 CD GLN B 50 9.749 -16.401 -10.557 1.00 1.30 C ATOM 2192 OE1 GLN B 50 10.907 -16.340 -10.968 1.00 1.37 O ATOM 2193 NE2 GLN B 50 8.810 -17.088 -11.184 1.00 1.60 N ATOM 0 H GLN B 50 9.199 -12.700 -8.138 1.00 0.20 H new ATOM 0 HA GLN B 50 9.367 -14.442 -6.778 1.00 0.30 H new ATOM 0 HB2 GLN B 50 11.395 -15.441 -8.825 1.00 0.53 H new ATOM 0 HB3 GLN B 50 10.510 -16.438 -7.688 1.00 0.53 H new ATOM 0 HG2 GLN B 50 8.500 -16.222 -8.832 1.00 1.05 H new ATOM 0 HG3 GLN B 50 8.947 -14.691 -9.558 1.00 1.05 H new ATOM 0 HE21 GLN B 50 7.861 -17.113 -10.810 1.00 1.60 H new ATOM 0 HE22 GLN B 50 9.034 -17.593 -12.042 1.00 1.60 H new ATOM 2202 N PRO B 51 11.276 -13.524 -5.265 1.00 0.16 N ATOM 2203 CA PRO B 51 12.334 -13.370 -4.260 1.00 0.27 C ATOM 2204 C PRO B 51 12.691 -14.694 -3.583 1.00 0.20 C ATOM 2205 O PRO B 51 13.866 -15.016 -3.413 1.00 0.19 O ATOM 2206 CB PRO B 51 11.740 -12.389 -3.243 1.00 0.48 C ATOM 2207 CG PRO B 51 10.264 -12.456 -3.443 1.00 0.51 C ATOM 2208 CD PRO B 51 10.048 -12.801 -4.891 1.00 0.41 C ATOM 0 HA PRO B 51 13.264 -13.019 -4.708 1.00 0.27 H new ATOM 0 HB2 PRO B 51 12.011 -12.667 -2.225 1.00 0.48 H new ATOM 0 HB3 PRO B 51 12.113 -11.378 -3.408 1.00 0.48 H new ATOM 0 HG2 PRO B 51 9.818 -13.209 -2.793 1.00 0.51 H new ATOM 0 HG3 PRO B 51 9.795 -11.504 -3.196 1.00 0.51 H new ATOM 0 HD2 PRO B 51 9.162 -13.420 -5.027 1.00 0.41 H new ATOM 0 HD3 PRO B 51 9.909 -11.907 -5.499 1.00 0.41 H new ATOM 2216 N MET B 52 11.676 -15.461 -3.195 1.00 0.17 N ATOM 2217 CA MET B 52 11.906 -16.746 -2.535 1.00 0.11 C ATOM 2218 C MET B 52 11.301 -17.915 -3.312 1.00 0.09 C ATOM 2219 O MET B 52 11.405 -19.065 -2.879 1.00 0.08 O ATOM 2220 CB MET B 52 11.327 -16.706 -1.120 1.00 0.12 C ATOM 2221 CG MET B 52 12.153 -15.880 -0.149 1.00 0.18 C ATOM 2222 SD MET B 52 13.767 -16.608 0.186 1.00 0.26 S ATOM 2223 CE MET B 52 14.823 -15.169 0.041 1.00 0.43 C ATOM 0 H MET B 52 10.693 -15.219 -3.324 1.00 0.17 H new ATOM 0 HA MET B 52 12.983 -16.908 -2.495 1.00 0.11 H new ATOM 0 HB2 MET B 52 10.316 -16.300 -1.161 1.00 0.12 H new ATOM 0 HB3 MET B 52 11.246 -17.725 -0.740 1.00 0.12 H new ATOM 0 HG2 MET B 52 12.288 -14.878 -0.555 1.00 0.18 H new ATOM 0 HG3 MET B 52 11.606 -15.773 0.788 1.00 0.18 H new ATOM 0 HE1 MET B 52 15.858 -15.458 0.222 1.00 0.43 H new ATOM 0 HE2 MET B 52 14.733 -14.751 -0.962 1.00 0.43 H new ATOM 0 HE3 MET B 52 14.521 -14.421 0.774 1.00 0.43 H new ATOM 2233 N LEU B 53 10.681 -17.621 -4.458 1.00 0.10 N ATOM 2234 CA LEU B 53 10.050 -18.646 -5.297 1.00 0.11 C ATOM 2235 C LEU B 53 9.092 -19.527 -4.495 1.00 0.08 C ATOM 2236 O LEU B 53 9.170 -20.754 -4.553 1.00 0.10 O ATOM 2237 CB LEU B 53 11.117 -19.518 -5.970 1.00 0.19 C ATOM 2238 CG LEU B 53 11.689 -18.959 -7.273 1.00 0.25 C ATOM 2239 CD1 LEU B 53 13.025 -19.610 -7.591 1.00 0.62 C ATOM 2240 CD2 LEU B 53 10.712 -19.179 -8.418 1.00 1.07 C ATOM 0 H LEU B 53 10.602 -16.674 -4.829 1.00 0.10 H new ATOM 0 HA LEU B 53 9.470 -18.128 -6.061 1.00 0.11 H new ATOM 0 HB2 LEU B 53 11.937 -19.668 -5.267 1.00 0.19 H new ATOM 0 HB3 LEU B 53 10.687 -20.499 -6.172 1.00 0.19 H new ATOM 0 HG LEU B 53 11.846 -17.888 -7.148 1.00 0.25 H new ATOM 0 HD11 LEU B 53 13.417 -19.200 -8.522 1.00 0.62 H new ATOM 0 HD12 LEU B 53 13.728 -19.411 -6.782 1.00 0.62 H new ATOM 0 HD13 LEU B 53 12.889 -20.686 -7.698 1.00 0.62 H new ATOM 0 HD21 LEU B 53 11.134 -18.776 -9.339 1.00 1.07 H new ATOM 0 HD22 LEU B 53 10.529 -20.247 -8.540 1.00 1.07 H new ATOM 0 HD23 LEU B 53 9.772 -18.673 -8.197 1.00 1.07 H new ATOM 2252 N ASP B 54 8.192 -18.899 -3.747 1.00 0.09 N ATOM 2253 CA ASP B 54 7.231 -19.641 -2.938 1.00 0.12 C ATOM 2254 C ASP B 54 5.817 -19.467 -3.491 1.00 0.10 C ATOM 2255 O ASP B 54 5.312 -20.355 -4.173 1.00 0.18 O ATOM 2256 CB ASP B 54 7.285 -19.198 -1.468 1.00 0.19 C ATOM 2257 CG ASP B 54 8.429 -19.815 -0.694 1.00 0.24 C ATOM 2258 OD1 ASP B 54 8.554 -21.052 -0.684 1.00 0.28 O1- ATOM 2259 OD2 ASP B 54 9.207 -19.058 -0.074 1.00 0.26 O ATOM 0 H ASP B 54 8.107 -17.885 -3.683 1.00 0.09 H new ATOM 0 HA ASP B 54 7.499 -20.696 -2.985 1.00 0.12 H new ATOM 0 HB2 ASP B 54 7.373 -18.112 -1.427 1.00 0.19 H new ATOM 0 HB3 ASP B 54 6.345 -19.461 -0.983 1.00 0.19 H new ATOM 2264 N VAL B 55 5.223 -18.300 -3.209 1.00 0.11 N ATOM 2265 CA VAL B 55 3.866 -17.918 -3.636 1.00 0.12 C ATOM 2266 C VAL B 55 3.385 -16.723 -2.783 1.00 0.08 C ATOM 2267 O VAL B 55 3.067 -15.666 -3.328 1.00 0.04 O ATOM 2268 CB VAL B 55 2.821 -19.086 -3.600 1.00 0.17 C ATOM 2269 CG1 VAL B 55 1.462 -18.628 -3.078 1.00 0.08 C ATOM 2270 CG2 VAL B 55 2.641 -19.682 -4.992 1.00 0.32 C ATOM 0 H VAL B 55 5.685 -17.573 -2.662 1.00 0.11 H new ATOM 0 HA VAL B 55 3.935 -17.637 -4.687 1.00 0.12 H new ATOM 0 HB VAL B 55 3.214 -19.839 -2.917 1.00 0.17 H new ATOM 0 HG11 VAL B 55 0.772 -19.471 -3.072 1.00 0.08 H new ATOM 0 HG12 VAL B 55 1.573 -18.242 -2.065 1.00 0.08 H new ATOM 0 HG13 VAL B 55 1.070 -17.843 -3.724 1.00 0.08 H new ATOM 0 HG21 VAL B 55 1.912 -20.492 -4.950 1.00 0.32 H new ATOM 0 HG22 VAL B 55 2.287 -18.910 -5.675 1.00 0.32 H new ATOM 0 HG23 VAL B 55 3.595 -20.071 -5.347 1.00 0.32 H new ATOM 2280 N PRO B 56 3.364 -16.839 -1.427 1.00 0.10 N ATOM 2281 CA PRO B 56 2.929 -15.739 -0.561 1.00 0.10 C ATOM 2282 C PRO B 56 3.995 -14.660 -0.447 1.00 0.07 C ATOM 2283 O PRO B 56 3.713 -13.519 -0.082 1.00 0.14 O ATOM 2284 CB PRO B 56 2.701 -16.416 0.792 1.00 0.14 C ATOM 2285 CG PRO B 56 3.640 -17.569 0.794 1.00 0.15 C ATOM 2286 CD PRO B 56 3.735 -18.037 -0.635 1.00 0.14 C ATOM 0 HA PRO B 56 2.043 -15.234 -0.946 1.00 0.10 H new ATOM 0 HB2 PRO B 56 2.908 -15.734 1.617 1.00 0.14 H new ATOM 0 HB3 PRO B 56 1.668 -16.745 0.902 1.00 0.14 H new ATOM 0 HG2 PRO B 56 4.618 -17.273 1.173 1.00 0.15 H new ATOM 0 HG3 PRO B 56 3.275 -18.367 1.441 1.00 0.15 H new ATOM 0 HD2 PRO B 56 4.741 -18.380 -0.877 1.00 0.14 H new ATOM 0 HD3 PRO B 56 3.059 -18.869 -0.829 1.00 0.14 H new ATOM 2294 N LYS B 57 5.218 -15.029 -0.800 1.00 0.09 N ATOM 2295 CA LYS B 57 6.347 -14.117 -0.741 1.00 0.06 C ATOM 2296 C LYS B 57 6.243 -13.066 -1.844 1.00 0.07 C ATOM 2297 O LYS B 57 6.944 -12.058 -1.825 1.00 0.12 O ATOM 2298 CB LYS B 57 7.656 -14.902 -0.869 1.00 0.12 C ATOM 2299 CG LYS B 57 7.721 -16.140 0.017 1.00 0.17 C ATOM 2300 CD LYS B 57 7.748 -15.784 1.495 1.00 0.47 C ATOM 2301 CE LYS B 57 8.979 -16.352 2.186 1.00 0.23 C ATOM 2302 NZ LYS B 57 8.940 -17.834 2.272 1.00 0.62 N1+ ATOM 0 H LYS B 57 5.453 -15.964 -1.133 1.00 0.09 H new ATOM 0 HA LYS B 57 6.336 -13.603 0.220 1.00 0.06 H new ATOM 0 HB2 LYS B 57 7.788 -15.203 -1.908 1.00 0.12 H new ATOM 0 HB3 LYS B 57 8.489 -14.244 -0.620 1.00 0.12 H new ATOM 0 HG2 LYS B 57 6.860 -16.777 -0.187 1.00 0.17 H new ATOM 0 HG3 LYS B 57 8.611 -16.718 -0.233 1.00 0.17 H new ATOM 0 HD2 LYS B 57 7.734 -14.700 1.609 1.00 0.47 H new ATOM 0 HD3 LYS B 57 6.849 -16.167 1.979 1.00 0.47 H new ATOM 0 HE2 LYS B 57 9.873 -16.045 1.643 1.00 0.23 H new ATOM 0 HE3 LYS B 57 9.056 -15.933 3.189 1.00 0.23 H new ATOM 0 HZ1 LYS B 57 9.764 -18.172 2.809 1.00 0.62 H new ATOM 0 HZ2 LYS B 57 8.067 -18.131 2.753 1.00 0.62 H new ATOM 0 HZ3 LYS B 57 8.962 -18.238 1.314 1.00 0.62 H new ATOM 2316 N LEU B 58 5.365 -13.318 -2.808 1.00 0.07 N ATOM 2317 CA LEU B 58 5.156 -12.392 -3.912 1.00 0.11 C ATOM 2318 C LEU B 58 4.126 -11.339 -3.518 1.00 0.11 C ATOM 2319 O LEU B 58 4.296 -10.151 -3.791 1.00 0.14 O ATOM 2320 CB LEU B 58 4.687 -13.157 -5.156 1.00 0.14 C ATOM 2321 CG LEU B 58 5.198 -12.634 -6.511 1.00 0.16 C ATOM 2322 CD1 LEU B 58 4.681 -11.229 -6.788 1.00 0.17 C ATOM 2323 CD2 LEU B 58 6.722 -12.665 -6.567 1.00 0.27 C ATOM 0 H LEU B 58 4.786 -14.157 -2.846 1.00 0.07 H new ATOM 0 HA LEU B 58 6.097 -11.893 -4.143 1.00 0.11 H new ATOM 0 HB2 LEU B 58 4.994 -14.198 -5.053 1.00 0.14 H new ATOM 0 HB3 LEU B 58 3.597 -13.146 -5.174 1.00 0.14 H new ATOM 0 HG LEU B 58 4.813 -13.295 -7.288 1.00 0.16 H new ATOM 0 HD11 LEU B 58 5.058 -10.886 -7.751 1.00 0.17 H new ATOM 0 HD12 LEU B 58 3.591 -11.240 -6.808 1.00 0.17 H new ATOM 0 HD13 LEU B 58 5.023 -10.554 -6.003 1.00 0.17 H new ATOM 0 HD21 LEU B 58 7.058 -12.291 -7.534 1.00 0.27 H new ATOM 0 HD22 LEU B 58 7.128 -12.037 -5.774 1.00 0.27 H new ATOM 0 HD23 LEU B 58 7.070 -13.689 -6.433 1.00 0.27 H new ATOM 2335 N ALA B 59 3.070 -11.786 -2.851 1.00 0.08 N ATOM 2336 CA ALA B 59 2.006 -10.895 -2.415 1.00 0.09 C ATOM 2337 C ALA B 59 2.538 -9.847 -1.442 1.00 0.14 C ATOM 2338 O ALA B 59 2.327 -8.650 -1.627 1.00 0.31 O ATOM 2339 CB ALA B 59 0.884 -11.695 -1.779 1.00 0.07 C ATOM 0 H ALA B 59 2.928 -12.764 -2.600 1.00 0.08 H new ATOM 0 HA ALA B 59 1.613 -10.373 -3.288 1.00 0.09 H new ATOM 0 HB1 ALA B 59 0.093 -11.019 -1.456 1.00 0.07 H new ATOM 0 HB2 ALA B 59 0.483 -12.401 -2.506 1.00 0.07 H new ATOM 0 HB3 ALA B 59 1.269 -12.240 -0.917 1.00 0.07 H new ATOM 2345 N VAL B 60 3.247 -10.298 -0.416 1.00 0.02 N ATOM 2346 CA VAL B 60 3.817 -9.383 0.573 1.00 0.05 C ATOM 2347 C VAL B 60 4.844 -8.455 -0.084 1.00 0.08 C ATOM 2348 O VAL B 60 5.039 -7.318 0.350 1.00 0.12 O ATOM 2349 CB VAL B 60 4.465 -10.142 1.755 1.00 0.07 C ATOM 2350 CG1 VAL B 60 5.690 -10.918 1.306 1.00 0.07 C ATOM 2351 CG2 VAL B 60 4.821 -9.183 2.884 1.00 0.13 C ATOM 0 H VAL B 60 3.442 -11.284 -0.244 1.00 0.02 H new ATOM 0 HA VAL B 60 2.998 -8.785 0.972 1.00 0.05 H new ATOM 0 HB VAL B 60 3.734 -10.858 2.130 1.00 0.07 H new ATOM 0 HG11 VAL B 60 6.123 -11.440 2.159 1.00 0.07 H new ATOM 0 HG12 VAL B 60 5.403 -11.643 0.544 1.00 0.07 H new ATOM 0 HG13 VAL B 60 6.426 -10.229 0.892 1.00 0.07 H new ATOM 0 HG21 VAL B 60 5.275 -9.739 3.704 1.00 0.13 H new ATOM 0 HG22 VAL B 60 5.525 -8.436 2.518 1.00 0.13 H new ATOM 0 HG23 VAL B 60 3.917 -8.687 3.239 1.00 0.13 H new ATOM 2361 N LEU B 61 5.469 -8.941 -1.156 1.00 0.08 N ATOM 2362 CA LEU B 61 6.460 -8.165 -1.891 1.00 0.11 C ATOM 2363 C LEU B 61 5.813 -6.927 -2.502 1.00 0.11 C ATOM 2364 O LEU B 61 6.401 -5.846 -2.520 1.00 0.13 O ATOM 2365 CB LEU B 61 7.101 -9.015 -2.993 1.00 0.13 C ATOM 2366 CG LEU B 61 8.251 -8.349 -3.749 1.00 0.17 C ATOM 2367 CD1 LEU B 61 9.519 -8.363 -2.908 1.00 0.17 C ATOM 2368 CD2 LEU B 61 8.484 -9.043 -5.082 1.00 0.17 C ATOM 0 H LEU B 61 5.303 -9.874 -1.534 1.00 0.08 H new ATOM 0 HA LEU B 61 7.237 -7.853 -1.193 1.00 0.11 H new ATOM 0 HB2 LEU B 61 7.468 -9.940 -2.548 1.00 0.13 H new ATOM 0 HB3 LEU B 61 6.329 -9.292 -3.711 1.00 0.13 H new ATOM 0 HG LEU B 61 7.981 -7.311 -3.946 1.00 0.17 H new ATOM 0 HD11 LEU B 61 10.328 -7.885 -3.461 1.00 0.17 H new ATOM 0 HD12 LEU B 61 9.345 -7.821 -1.979 1.00 0.17 H new ATOM 0 HD13 LEU B 61 9.794 -9.393 -2.681 1.00 0.17 H new ATOM 0 HD21 LEU B 61 9.306 -8.556 -5.607 1.00 0.17 H new ATOM 0 HD22 LEU B 61 8.734 -10.090 -4.909 1.00 0.17 H new ATOM 0 HD23 LEU B 61 7.580 -8.981 -5.687 1.00 0.17 H new ATOM 2380 N THR B 62 4.595 -7.082 -3.002 1.00 0.10 N ATOM 2381 CA THR B 62 3.888 -5.962 -3.591 1.00 0.09 C ATOM 2382 C THR B 62 3.330 -5.051 -2.506 1.00 0.09 C ATOM 2383 O THR B 62 3.283 -3.838 -2.673 1.00 0.08 O ATOM 2384 CB THR B 62 2.755 -6.423 -4.530 1.00 0.10 C ATOM 2385 OG1 THR B 62 1.866 -7.321 -3.855 1.00 0.18 O ATOM 2386 CG2 THR B 62 3.331 -7.112 -5.754 1.00 0.12 C ATOM 0 H THR B 62 4.083 -7.964 -3.010 1.00 0.10 H new ATOM 0 HA THR B 62 4.609 -5.406 -4.190 1.00 0.09 H new ATOM 0 HB THR B 62 2.197 -5.539 -4.840 1.00 0.10 H new ATOM 0 HG1 THR B 62 2.149 -7.422 -2.922 1.00 0.18 H new ATOM 0 HG21 THR B 62 2.519 -7.432 -6.407 1.00 0.12 H new ATOM 0 HG22 THR B 62 3.978 -6.418 -6.291 1.00 0.12 H new ATOM 0 HG23 THR B 62 3.910 -7.981 -5.443 1.00 0.12 H new ATOM 2394 N ALA B 63 2.944 -5.645 -1.380 1.00 0.10 N ATOM 2395 CA ALA B 63 2.395 -4.890 -0.258 1.00 0.11 C ATOM 2396 C ALA B 63 3.424 -3.910 0.294 1.00 0.11 C ATOM 2397 O ALA B 63 3.130 -2.733 0.503 1.00 0.12 O ATOM 2398 CB ALA B 63 1.932 -5.841 0.836 1.00 0.10 C ATOM 0 H ALA B 63 3.002 -6.651 -1.220 1.00 0.10 H new ATOM 0 HA ALA B 63 1.539 -4.318 -0.616 1.00 0.11 H new ATOM 0 HB1 ALA B 63 1.524 -5.267 1.668 1.00 0.10 H new ATOM 0 HB2 ALA B 63 1.162 -6.504 0.440 1.00 0.10 H new ATOM 0 HB3 ALA B 63 2.777 -6.434 1.184 1.00 0.10 H new ATOM 2404 N VAL B 64 4.639 -4.403 0.509 1.00 0.09 N ATOM 2405 CA VAL B 64 5.719 -3.576 1.034 1.00 0.10 C ATOM 2406 C VAL B 64 6.149 -2.520 0.015 1.00 0.12 C ATOM 2407 O VAL B 64 6.682 -1.474 0.381 1.00 0.12 O ATOM 2408 CB VAL B 64 6.932 -4.441 1.463 1.00 0.10 C ATOM 2409 CG1 VAL B 64 7.599 -5.097 0.266 1.00 0.12 C ATOM 2410 CG2 VAL B 64 7.943 -3.620 2.254 1.00 0.11 C ATOM 0 H VAL B 64 4.901 -5.372 0.328 1.00 0.09 H new ATOM 0 HA VAL B 64 5.338 -3.064 1.918 1.00 0.10 H new ATOM 0 HB VAL B 64 6.552 -5.231 2.111 1.00 0.10 H new ATOM 0 HG11 VAL B 64 8.445 -5.695 0.604 1.00 0.12 H new ATOM 0 HG12 VAL B 64 6.881 -5.739 -0.244 1.00 0.12 H new ATOM 0 HG13 VAL B 64 7.950 -4.328 -0.422 1.00 0.12 H new ATOM 0 HG21 VAL B 64 8.782 -4.254 2.541 1.00 0.11 H new ATOM 0 HG22 VAL B 64 8.304 -2.796 1.638 1.00 0.11 H new ATOM 0 HG23 VAL B 64 7.467 -3.221 3.150 1.00 0.11 H new ATOM 2420 N GLN B 65 5.890 -2.789 -1.258 1.00 0.15 N ATOM 2421 CA GLN B 65 6.248 -1.857 -2.319 1.00 0.19 C ATOM 2422 C GLN B 65 5.172 -0.788 -2.488 1.00 0.13 C ATOM 2423 O GLN B 65 5.480 0.379 -2.715 1.00 0.16 O ATOM 2424 CB GLN B 65 6.492 -2.595 -3.637 1.00 0.34 C ATOM 2425 CG GLN B 65 7.973 -2.690 -4.003 1.00 0.57 C ATOM 2426 CD GLN B 65 8.268 -3.758 -5.041 1.00 0.79 C ATOM 2427 OE1 GLN B 65 9.131 -3.583 -5.899 1.00 0.98 O ATOM 2428 NE2 GLN B 65 7.583 -4.886 -4.949 1.00 0.80 N ATOM 0 H GLN B 65 5.434 -3.643 -1.580 1.00 0.15 H new ATOM 0 HA GLN B 65 7.176 -1.362 -2.033 1.00 0.19 H new ATOM 0 HB2 GLN B 65 6.076 -3.600 -3.567 1.00 0.34 H new ATOM 0 HB3 GLN B 65 5.958 -2.084 -4.438 1.00 0.34 H new ATOM 0 HG2 GLN B 65 8.310 -1.724 -4.380 1.00 0.57 H new ATOM 0 HG3 GLN B 65 8.550 -2.899 -3.102 1.00 0.57 H new ATOM 0 HE21 GLN B 65 6.874 -4.995 -4.223 1.00 0.80 H new ATOM 0 HE22 GLN B 65 7.764 -5.647 -5.604 1.00 0.80 H new ATOM 2437 N ILE B 66 3.910 -1.185 -2.371 1.00 0.15 N ATOM 2438 CA ILE B 66 2.802 -0.244 -2.491 1.00 0.16 C ATOM 2439 C ILE B 66 2.882 0.788 -1.370 1.00 0.11 C ATOM 2440 O ILE B 66 2.628 1.980 -1.572 1.00 0.27 O ATOM 2441 CB ILE B 66 1.434 -0.967 -2.442 1.00 0.27 C ATOM 2442 CG1 ILE B 66 1.205 -1.751 -3.738 1.00 0.64 C ATOM 2443 CG2 ILE B 66 0.305 0.029 -2.215 1.00 0.89 C ATOM 2444 CD1 ILE B 66 0.068 -2.750 -3.656 1.00 1.38 C ATOM 0 H ILE B 66 3.629 -2.149 -2.194 1.00 0.15 H new ATOM 0 HA ILE B 66 2.884 0.253 -3.458 1.00 0.16 H new ATOM 0 HB ILE B 66 1.442 -1.666 -1.606 1.00 0.27 H new ATOM 0 HG12 ILE B 66 1.001 -1.048 -4.546 1.00 0.64 H new ATOM 0 HG13 ILE B 66 2.122 -2.279 -3.999 1.00 0.64 H new ATOM 0 HG21 ILE B 66 -0.647 -0.501 -2.184 1.00 0.89 H new ATOM 0 HG22 ILE B 66 0.462 0.548 -1.269 1.00 0.89 H new ATOM 0 HG23 ILE B 66 0.290 0.754 -3.029 1.00 0.89 H new ATOM 0 HD11 ILE B 66 -0.033 -3.266 -4.611 1.00 1.38 H new ATOM 0 HD12 ILE B 66 0.278 -3.477 -2.871 1.00 1.38 H new ATOM 0 HD13 ILE B 66 -0.860 -2.227 -3.427 1.00 1.38 H new ATOM 2456 N ALA B 67 3.266 0.311 -0.193 1.00 0.16 N ATOM 2457 CA ALA B 67 3.400 1.161 0.975 1.00 0.13 C ATOM 2458 C ALA B 67 4.457 2.235 0.754 1.00 0.06 C ATOM 2459 O ALA B 67 4.287 3.368 1.190 1.00 0.09 O ATOM 2460 CB ALA B 67 3.741 0.320 2.196 1.00 0.16 C ATOM 0 H ALA B 67 3.491 -0.670 -0.025 1.00 0.16 H new ATOM 0 HA ALA B 67 2.447 1.661 1.145 1.00 0.13 H new ATOM 0 HB1 ALA B 67 3.840 0.967 3.068 1.00 0.16 H new ATOM 0 HB2 ALA B 67 2.947 -0.406 2.371 1.00 0.16 H new ATOM 0 HB3 ALA B 67 4.681 -0.205 2.025 1.00 0.16 H new ATOM 2466 N SER B 68 5.535 1.886 0.058 1.00 0.08 N ATOM 2467 CA SER B 68 6.609 2.836 -0.205 1.00 0.06 C ATOM 2468 C SER B 68 6.263 3.744 -1.387 1.00 0.16 C ATOM 2469 O SER B 68 6.577 4.934 -1.375 1.00 0.21 O ATOM 2470 CB SER B 68 7.918 2.089 -0.465 1.00 0.06 C ATOM 2471 OG SER B 68 7.664 0.752 -0.852 1.00 0.28 O ATOM 0 H SER B 68 5.687 0.956 -0.332 1.00 0.08 H new ATOM 0 HA SER B 68 6.733 3.467 0.675 1.00 0.06 H new ATOM 0 HB2 SER B 68 8.483 2.597 -1.246 1.00 0.06 H new ATOM 0 HB3 SER B 68 8.534 2.102 0.434 1.00 0.06 H new ATOM 0 HG SER B 68 7.423 0.223 -0.063 1.00 0.28 H new ATOM 2477 N GLU B 69 5.599 3.176 -2.395 1.00 0.26 N ATOM 2478 CA GLU B 69 5.197 3.931 -3.582 1.00 0.35 C ATOM 2479 C GLU B 69 4.302 5.111 -3.205 1.00 0.24 C ATOM 2480 O GLU B 69 4.324 6.157 -3.856 1.00 0.18 O ATOM 2481 CB GLU B 69 4.457 3.025 -4.578 1.00 0.52 C ATOM 2482 CG GLU B 69 5.374 2.185 -5.461 1.00 0.44 C ATOM 2483 CD GLU B 69 4.647 1.562 -6.644 1.00 1.20 C ATOM 2484 OE1 GLU B 69 3.784 2.243 -7.242 1.00 1.71 O ATOM 2485 OE2 GLU B 69 4.941 0.397 -6.993 1.00 1.60 O1- ATOM 0 H GLU B 69 5.328 2.193 -2.412 1.00 0.26 H new ATOM 0 HA GLU B 69 6.104 4.313 -4.051 1.00 0.35 H new ATOM 0 HB2 GLU B 69 3.795 2.359 -4.024 1.00 0.52 H new ATOM 0 HB3 GLU B 69 3.825 3.644 -5.215 1.00 0.52 H new ATOM 0 HG2 GLU B 69 6.188 2.809 -5.829 1.00 0.44 H new ATOM 0 HG3 GLU B 69 5.825 1.395 -4.861 1.00 0.44 H new ATOM 2492 N TYR B 70 3.522 4.942 -2.147 1.00 0.23 N ATOM 2493 CA TYR B 70 2.619 5.990 -1.697 1.00 0.15 C ATOM 2494 C TYR B 70 3.171 6.750 -0.493 1.00 0.08 C ATOM 2495 O TYR B 70 2.655 7.811 -0.137 1.00 0.12 O ATOM 2496 CB TYR B 70 1.251 5.394 -1.371 1.00 0.24 C ATOM 2497 CG TYR B 70 0.392 5.210 -2.599 1.00 0.32 C ATOM 2498 CD1 TYR B 70 0.524 4.085 -3.403 1.00 0.75 C ATOM 2499 CD2 TYR B 70 -0.533 6.176 -2.969 1.00 0.57 C ATOM 2500 CE1 TYR B 70 -0.244 3.927 -4.538 1.00 0.85 C ATOM 2501 CE2 TYR B 70 -1.300 6.029 -4.104 1.00 0.56 C ATOM 2502 CZ TYR B 70 -1.154 4.902 -4.885 1.00 0.50 C ATOM 2503 OH TYR B 70 -1.911 4.758 -6.023 1.00 0.59 O ATOM 0 H TYR B 70 3.497 4.091 -1.586 1.00 0.23 H new ATOM 0 HA TYR B 70 2.517 6.709 -2.510 1.00 0.15 H new ATOM 0 HB2 TYR B 70 1.386 4.431 -0.879 1.00 0.24 H new ATOM 0 HB3 TYR B 70 0.734 6.044 -0.664 1.00 0.24 H new ATOM 0 HD1 TYR B 70 1.239 3.322 -3.135 1.00 0.75 H new ATOM 0 HD2 TYR B 70 -0.654 7.058 -2.357 1.00 0.57 H new ATOM 0 HE1 TYR B 70 -0.133 3.045 -5.151 1.00 0.85 H new ATOM 0 HE2 TYR B 70 -2.012 6.793 -4.381 1.00 0.56 H new ATOM 0 HH TYR B 70 -2.503 5.533 -6.122 1.00 0.59 H new ATOM 2513 N LEU B 71 4.222 6.220 0.122 1.00 0.09 N ATOM 2514 CA LEU B 71 4.830 6.872 1.276 1.00 0.17 C ATOM 2515 C LEU B 71 5.498 8.169 0.843 1.00 0.22 C ATOM 2516 O LEU B 71 5.328 9.215 1.474 1.00 0.26 O ATOM 2517 CB LEU B 71 5.851 5.944 1.940 1.00 0.24 C ATOM 2518 CG LEU B 71 6.406 6.426 3.293 1.00 0.27 C ATOM 2519 CD1 LEU B 71 5.290 6.627 4.311 1.00 0.32 C ATOM 2520 CD2 LEU B 71 7.440 5.452 3.843 1.00 0.32 C ATOM 0 H LEU B 71 4.669 5.346 -0.157 1.00 0.09 H new ATOM 0 HA LEU B 71 4.050 7.099 2.003 1.00 0.17 H new ATOM 0 HB2 LEU B 71 5.388 4.968 2.084 1.00 0.24 H new ATOM 0 HB3 LEU B 71 6.686 5.802 1.254 1.00 0.24 H new ATOM 0 HG LEU B 71 6.891 7.386 3.117 1.00 0.27 H new ATOM 0 HD11 LEU B 71 5.716 6.967 5.255 1.00 0.32 H new ATOM 0 HD12 LEU B 71 4.588 7.374 3.939 1.00 0.32 H new ATOM 0 HD13 LEU B 71 4.767 5.684 4.468 1.00 0.32 H new ATOM 0 HD21 LEU B 71 7.814 5.819 4.799 1.00 0.32 H new ATOM 0 HD22 LEU B 71 6.980 4.474 3.985 1.00 0.32 H new ATOM 0 HD23 LEU B 71 8.268 5.364 3.139 1.00 0.32 H new ATOM 2532 N LYS B 72 6.239 8.091 -0.256 1.00 0.23 N ATOM 2533 CA LYS B 72 6.929 9.255 -0.805 1.00 0.27 C ATOM 2534 C LYS B 72 5.935 10.332 -1.242 1.00 0.24 C ATOM 2535 O LYS B 72 6.251 11.522 -1.233 1.00 0.29 O ATOM 2536 CB LYS B 72 7.835 8.850 -1.987 1.00 0.31 C ATOM 2537 CG LYS B 72 7.124 8.138 -3.144 1.00 0.38 C ATOM 2538 CD LYS B 72 6.535 9.115 -4.154 1.00 0.40 C ATOM 2539 CE LYS B 72 7.607 9.766 -5.014 1.00 0.52 C ATOM 2540 NZ LYS B 72 7.039 10.827 -5.884 1.00 0.58 N1+ ATOM 0 H LYS B 72 6.378 7.231 -0.787 1.00 0.23 H new ATOM 0 HA LYS B 72 7.555 9.670 -0.015 1.00 0.27 H new ATOM 0 HB2 LYS B 72 8.319 9.746 -2.376 1.00 0.31 H new ATOM 0 HB3 LYS B 72 8.624 8.199 -1.612 1.00 0.31 H new ATOM 0 HG2 LYS B 72 7.830 7.479 -3.649 1.00 0.38 H new ATOM 0 HG3 LYS B 72 6.329 7.508 -2.745 1.00 0.38 H new ATOM 0 HD2 LYS B 72 5.827 8.590 -4.795 1.00 0.40 H new ATOM 0 HD3 LYS B 72 5.976 9.888 -3.626 1.00 0.40 H new ATOM 0 HE2 LYS B 72 8.378 10.194 -4.373 1.00 0.52 H new ATOM 0 HE3 LYS B 72 8.089 9.008 -5.631 1.00 0.52 H new ATOM 0 HZ1 LYS B 72 7.811 11.394 -6.289 1.00 0.58 H new ATOM 0 HZ2 LYS B 72 6.491 10.390 -6.652 1.00 0.58 H new ATOM 0 HZ3 LYS B 72 6.417 11.441 -5.321 1.00 0.58 H new ATOM 2554 N LEU B 73 4.724 9.908 -1.598 1.00 0.17 N ATOM 2555 CA LEU B 73 3.686 10.825 -2.054 1.00 0.14 C ATOM 2556 C LEU B 73 3.243 11.739 -0.913 1.00 0.11 C ATOM 2557 O LEU B 73 3.138 12.955 -1.081 1.00 0.09 O ATOM 2558 CB LEU B 73 2.493 10.024 -2.614 1.00 0.13 C ATOM 2559 CG LEU B 73 1.483 10.785 -3.500 1.00 0.12 C ATOM 2560 CD1 LEU B 73 0.548 11.648 -2.663 1.00 0.08 C ATOM 2561 CD2 LEU B 73 2.190 11.633 -4.552 1.00 0.15 C ATOM 0 H LEU B 73 4.438 8.929 -1.578 1.00 0.17 H new ATOM 0 HA LEU B 73 4.088 11.453 -2.849 1.00 0.14 H new ATOM 0 HB2 LEU B 73 2.889 9.190 -3.194 1.00 0.13 H new ATOM 0 HB3 LEU B 73 1.948 9.597 -1.772 1.00 0.13 H new ATOM 0 HG LEU B 73 0.883 10.035 -4.016 1.00 0.12 H new ATOM 0 HD11 LEU B 73 -0.150 12.170 -3.318 1.00 0.08 H new ATOM 0 HD12 LEU B 73 -0.008 11.016 -1.970 1.00 0.08 H new ATOM 0 HD13 LEU B 73 1.132 12.377 -2.101 1.00 0.08 H new ATOM 0 HD21 LEU B 73 1.449 12.154 -5.157 1.00 0.15 H new ATOM 0 HD22 LEU B 73 2.834 12.362 -4.059 1.00 0.15 H new ATOM 0 HD23 LEU B 73 2.794 10.990 -5.192 1.00 0.15 H new ATOM 2573 N LYS B 74 3.008 11.154 0.255 1.00 0.11 N ATOM 2574 CA LYS B 74 2.578 11.934 1.410 1.00 0.10 C ATOM 2575 C LYS B 74 3.758 12.692 2.019 1.00 0.13 C ATOM 2576 O LYS B 74 3.576 13.572 2.862 1.00 0.13 O ATOM 2577 CB LYS B 74 1.889 11.046 2.456 1.00 0.12 C ATOM 2578 CG LYS B 74 2.810 10.061 3.159 1.00 0.20 C ATOM 2579 CD LYS B 74 2.027 9.082 4.022 1.00 0.28 C ATOM 2580 CE LYS B 74 1.607 9.702 5.345 1.00 0.32 C ATOM 2581 NZ LYS B 74 2.775 10.034 6.205 1.00 0.43 N1+ ATOM 0 H LYS B 74 3.106 10.154 0.428 1.00 0.11 H new ATOM 0 HA LYS B 74 1.846 12.666 1.069 1.00 0.10 H new ATOM 0 HB2 LYS B 74 1.423 11.686 3.206 1.00 0.12 H new ATOM 0 HB3 LYS B 74 1.088 10.490 1.969 1.00 0.12 H new ATOM 0 HG2 LYS B 74 3.390 9.511 2.418 1.00 0.20 H new ATOM 0 HG3 LYS B 74 3.521 10.606 3.780 1.00 0.20 H new ATOM 0 HD2 LYS B 74 1.142 8.748 3.480 1.00 0.28 H new ATOM 0 HD3 LYS B 74 2.636 8.198 4.212 1.00 0.28 H new ATOM 0 HE2 LYS B 74 1.030 10.607 5.154 1.00 0.32 H new ATOM 0 HE3 LYS B 74 0.951 9.012 5.876 1.00 0.32 H new ATOM 0 HZ1 LYS B 74 2.466 10.112 7.195 1.00 0.43 H new ATOM 0 HZ2 LYS B 74 3.491 9.284 6.123 1.00 0.43 H new ATOM 0 HZ3 LYS B 74 3.186 10.939 5.899 1.00 0.43 H new ATOM 2595 N GLU B 75 4.964 12.355 1.578 1.00 0.17 N ATOM 2596 CA GLU B 75 6.165 13.020 2.058 1.00 0.20 C ATOM 2597 C GLU B 75 6.335 14.352 1.333 1.00 0.16 C ATOM 2598 O GLU B 75 6.551 15.391 1.961 1.00 0.20 O ATOM 2599 CB GLU B 75 7.391 12.134 1.845 1.00 0.27 C ATOM 2600 CG GLU B 75 8.582 12.521 2.706 1.00 0.36 C ATOM 2601 CD GLU B 75 8.232 12.605 4.177 1.00 0.45 C ATOM 2602 OE1 GLU B 75 7.905 11.560 4.780 1.00 0.44 O1- ATOM 2603 OE2 GLU B 75 8.291 13.715 4.742 1.00 0.55 O ATOM 0 H GLU B 75 5.134 11.624 0.888 1.00 0.17 H new ATOM 0 HA GLU B 75 6.065 13.206 3.127 1.00 0.20 H new ATOM 0 HB2 GLU B 75 7.122 11.099 2.057 1.00 0.27 H new ATOM 0 HB3 GLU B 75 7.683 12.179 0.796 1.00 0.27 H new ATOM 0 HG2 GLU B 75 9.379 11.791 2.567 1.00 0.36 H new ATOM 0 HG3 GLU B 75 8.970 13.484 2.373 1.00 0.36 H new ATOM 2610 N GLU B 76 6.219 14.321 0.007 1.00 0.13 N ATOM 2611 CA GLU B 76 6.337 15.537 -0.793 1.00 0.11 C ATOM 2612 C GLU B 76 5.140 16.449 -0.530 1.00 0.08 C ATOM 2613 O GLU B 76 5.211 17.660 -0.736 1.00 0.08 O ATOM 2614 CB GLU B 76 6.472 15.219 -2.292 1.00 0.17 C ATOM 2615 CG GLU B 76 5.259 14.541 -2.922 1.00 0.18 C ATOM 2616 CD GLU B 76 5.605 13.847 -4.227 1.00 0.21 C ATOM 2617 OE1 GLU B 76 6.077 12.692 -4.183 1.00 0.34 O1- ATOM 2618 OE2 GLU B 76 5.418 14.458 -5.299 1.00 0.20 O ATOM 0 H GLU B 76 6.045 13.473 -0.533 1.00 0.13 H new ATOM 0 HA GLU B 76 7.248 16.056 -0.495 1.00 0.11 H new ATOM 0 HB2 GLU B 76 6.669 16.147 -2.828 1.00 0.17 H new ATOM 0 HB3 GLU B 76 7.342 14.578 -2.435 1.00 0.17 H new ATOM 0 HG2 GLU B 76 4.848 13.813 -2.223 1.00 0.18 H new ATOM 0 HG3 GLU B 76 4.482 15.284 -3.102 1.00 0.18 H new ATOM 2625 N TYR B 77 4.060 15.842 -0.042 1.00 0.07 N ATOM 2626 CA TYR B 77 2.829 16.548 0.295 1.00 0.11 C ATOM 2627 C TYR B 77 3.112 17.713 1.246 1.00 0.13 C ATOM 2628 O TYR B 77 2.699 18.844 0.996 1.00 0.22 O ATOM 2629 CB TYR B 77 1.851 15.547 0.929 1.00 0.13 C ATOM 2630 CG TYR B 77 0.591 16.133 1.549 1.00 0.15 C ATOM 2631 CD1 TYR B 77 0.008 17.294 1.061 1.00 0.22 C ATOM 2632 CD2 TYR B 77 -0.028 15.491 2.616 1.00 0.12 C ATOM 2633 CE1 TYR B 77 -1.150 17.803 1.620 1.00 0.25 C ATOM 2634 CE2 TYR B 77 -1.185 15.996 3.181 1.00 0.14 C ATOM 2635 CZ TYR B 77 -1.741 17.149 2.676 1.00 0.20 C ATOM 2636 OH TYR B 77 -2.894 17.652 3.232 1.00 0.23 O ATOM 0 H TYR B 77 4.016 14.838 0.131 1.00 0.07 H new ATOM 0 HA TYR B 77 2.388 16.969 -0.608 1.00 0.11 H new ATOM 0 HB2 TYR B 77 1.554 14.829 0.165 1.00 0.13 H new ATOM 0 HB3 TYR B 77 2.384 14.990 1.700 1.00 0.13 H new ATOM 0 HD1 TYR B 77 0.467 17.809 0.230 1.00 0.22 H new ATOM 0 HD2 TYR B 77 0.402 14.582 3.010 1.00 0.12 H new ATOM 0 HE1 TYR B 77 -1.588 18.710 1.229 1.00 0.25 H new ATOM 0 HE2 TYR B 77 -1.649 15.488 4.014 1.00 0.14 H new ATOM 0 HH TYR B 77 -3.183 17.072 3.967 1.00 0.23 H new ATOM 2646 N GLN B 78 3.832 17.439 2.320 1.00 0.22 N ATOM 2647 CA GLN B 78 4.149 18.474 3.294 1.00 0.30 C ATOM 2648 C GLN B 78 5.282 19.362 2.801 1.00 0.37 C ATOM 2649 O GLN B 78 5.292 20.563 3.066 1.00 0.84 O ATOM 2650 CB GLN B 78 4.516 17.854 4.641 1.00 0.28 C ATOM 2651 CG GLN B 78 3.329 17.240 5.365 1.00 0.17 C ATOM 2652 CD GLN B 78 2.156 18.196 5.485 1.00 0.26 C ATOM 2653 OE1 GLN B 78 2.329 19.417 5.540 1.00 0.53 O ATOM 2654 NE2 GLN B 78 0.955 17.647 5.529 1.00 0.24 N ATOM 0 H GLN B 78 4.207 16.516 2.541 1.00 0.22 H new ATOM 0 HA GLN B 78 3.260 19.092 3.423 1.00 0.30 H new ATOM 0 HB2 GLN B 78 5.274 17.086 4.485 1.00 0.28 H new ATOM 0 HB3 GLN B 78 4.963 18.619 5.275 1.00 0.28 H new ATOM 0 HG2 GLN B 78 3.009 16.344 4.834 1.00 0.17 H new ATOM 0 HG3 GLN B 78 3.640 16.926 6.361 1.00 0.17 H new ATOM 0 HE21 GLN B 78 0.856 16.633 5.481 1.00 0.24 H new ATOM 0 HE22 GLN B 78 0.127 18.237 5.611 1.00 0.24 H new ATOM 2663 N ARG B 79 6.214 18.766 2.064 1.00 0.28 N ATOM 2664 CA ARG B 79 7.371 19.489 1.534 1.00 0.30 C ATOM 2665 C ARG B 79 6.970 20.726 0.736 1.00 0.27 C ATOM 2666 O ARG B 79 7.457 21.828 1.003 1.00 0.23 O ATOM 2667 CB ARG B 79 8.214 18.567 0.654 1.00 0.34 C ATOM 2668 CG ARG B 79 9.170 17.690 1.442 1.00 0.63 C ATOM 2669 CD ARG B 79 9.701 16.541 0.603 1.00 0.85 C ATOM 2670 NE ARG B 79 10.161 16.976 -0.715 1.00 1.45 N ATOM 2671 CZ ARG B 79 11.307 16.587 -1.268 1.00 1.28 C ATOM 2672 NH1 ARG B 79 12.135 15.783 -0.604 1.00 0.73 N1+ ATOM 2673 NH2 ARG B 79 11.634 17.000 -2.485 1.00 2.05 N ATOM 0 H ARG B 79 6.192 17.777 1.817 1.00 0.28 H new ATOM 0 HA ARG B 79 7.955 19.823 2.392 1.00 0.30 H new ATOM 0 HB2 ARG B 79 7.551 17.932 0.066 1.00 0.34 H new ATOM 0 HB3 ARG B 79 8.785 19.172 -0.051 1.00 0.34 H new ATOM 0 HG2 ARG B 79 10.004 18.293 1.802 1.00 0.63 H new ATOM 0 HG3 ARG B 79 8.660 17.294 2.320 1.00 0.63 H new ATOM 0 HD2 ARG B 79 10.524 16.060 1.131 1.00 0.85 H new ATOM 0 HD3 ARG B 79 8.919 15.792 0.482 1.00 0.85 H new ATOM 0 HE ARG B 79 9.568 17.616 -1.242 1.00 1.45 H new ATOM 0 HH11 ARG B 79 11.892 15.462 0.333 1.00 0.73 H new ATOM 0 HH12 ARG B 79 13.012 15.488 -1.033 1.00 0.73 H new ATOM 0 HH21 ARG B 79 11.006 17.618 -3.000 1.00 2.05 H new ATOM 0 HH22 ARG B 79 12.513 16.700 -2.906 1.00 2.05 H new ATOM 2687 N LEU B 80 6.070 20.550 -0.225 1.00 0.30 N ATOM 2688 CA LEU B 80 5.633 21.659 -1.071 1.00 0.28 C ATOM 2689 C LEU B 80 4.790 22.669 -0.297 1.00 0.23 C ATOM 2690 O LEU B 80 4.660 23.825 -0.708 1.00 0.28 O ATOM 2691 CB LEU B 80 4.844 21.139 -2.276 1.00 0.31 C ATOM 2692 CG LEU B 80 3.437 20.611 -1.960 1.00 0.48 C ATOM 2693 CD1 LEU B 80 2.366 21.606 -2.391 1.00 0.79 C ATOM 2694 CD2 LEU B 80 3.207 19.265 -2.627 1.00 0.44 C ATOM 0 H LEU B 80 5.629 19.655 -0.439 1.00 0.30 H new ATOM 0 HA LEU B 80 6.531 22.169 -1.420 1.00 0.28 H new ATOM 0 HB2 LEU B 80 4.757 21.943 -3.007 1.00 0.31 H new ATOM 0 HB3 LEU B 80 5.417 20.340 -2.747 1.00 0.31 H new ATOM 0 HG LEU B 80 3.365 20.482 -0.880 1.00 0.48 H new ATOM 0 HD11 LEU B 80 1.380 21.205 -2.155 1.00 0.79 H new ATOM 0 HD12 LEU B 80 2.511 22.548 -1.862 1.00 0.79 H new ATOM 0 HD13 LEU B 80 2.440 21.778 -3.465 1.00 0.79 H new ATOM 0 HD21 LEU B 80 2.204 18.908 -2.391 1.00 0.44 H new ATOM 0 HD22 LEU B 80 3.309 19.372 -3.707 1.00 0.44 H new ATOM 0 HD23 LEU B 80 3.942 18.548 -2.262 1.00 0.44 H new ATOM 2706 N ARG B 81 4.220 22.240 0.819 1.00 0.20 N ATOM 2707 CA ARG B 81 3.384 23.117 1.622 1.00 0.15 C ATOM 2708 C ARG B 81 4.225 23.964 2.570 1.00 0.15 C ATOM 2709 O ARG B 81 4.020 25.174 2.690 1.00 0.43 O ATOM 2710 CB ARG B 81 2.362 22.303 2.417 1.00 0.22 C ATOM 2711 CG ARG B 81 1.340 21.594 1.546 1.00 0.32 C ATOM 2712 CD ARG B 81 0.201 21.031 2.377 1.00 0.65 C ATOM 2713 NE ARG B 81 -0.508 22.072 3.121 1.00 1.05 N ATOM 2714 CZ ARG B 81 -0.526 22.174 4.451 1.00 1.70 C ATOM 2715 NH1 ARG B 81 0.148 21.316 5.212 1.00 2.04 N1+ ATOM 2716 NH2 ARG B 81 -1.223 23.144 5.023 1.00 2.12 N ATOM 0 H ARG B 81 4.321 21.294 1.187 1.00 0.20 H new ATOM 0 HA ARG B 81 2.855 23.786 0.943 1.00 0.15 H new ATOM 0 HB2 ARG B 81 2.889 21.563 3.020 1.00 0.22 H new ATOM 0 HB3 ARG B 81 1.841 22.965 3.108 1.00 0.22 H new ATOM 0 HG2 ARG B 81 0.944 22.290 0.807 1.00 0.32 H new ATOM 0 HG3 ARG B 81 1.825 20.787 0.996 1.00 0.32 H new ATOM 0 HD2 ARG B 81 -0.501 20.512 1.724 1.00 0.65 H new ATOM 0 HD3 ARG B 81 0.594 20.292 3.075 1.00 0.65 H new ATOM 0 HE ARG B 81 -1.025 22.769 2.585 1.00 1.05 H new ATOM 0 HH11 ARG B 81 0.689 20.567 4.780 1.00 2.04 H new ATOM 0 HH12 ARG B 81 0.124 21.407 6.228 1.00 2.04 H new ATOM 0 HH21 ARG B 81 -1.742 23.807 4.447 1.00 2.12 H new ATOM 0 HH22 ARG B 81 -1.241 23.228 6.039 1.00 2.12 H new