USER MOD reduce.3.24.130724 H: found=0, std=0, add=795, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 797 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 24 GLN : amide:sc= -0.0445 X(o=-0.044,f=0.16) USER MOD Set 1.2: A 50 MET CE :methyl 177:sc= 0 (180deg=0) USER MOD Set 2.1: A 18 GLN : amide:sc= 0.022 X(o=-0.16,f=-0.2) USER MOD Set 2.2: A 96 HIS : no HE2:sc= -0.187 K(o=-0.16,f=-1.2) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot -28:sc= 0.0749 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 35:sc= 0.00159 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -111:sc= 0.117 USER MOD Single : A 51 LYS NZ :NH3+ 172:sc= -0.0163 (180deg=-0.112) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.065) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot -17:sc= 0.0679 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 CYS SG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot -51:sc= 0.0996 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot 38:sc= 0.212 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0274) USER MOD Single : A 98 LYS NZ :NH3+ 166:sc= 0.616 (180deg=0.507) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 111 ASN : amide:sc= -0.0229 K(o=-0.023,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 157 N GLY A 12 9.621 -10.163 7.388 1.00 61.32 N ATOM 158 CA GLY A 12 9.796 -9.016 6.492 1.00 51.42 C ATOM 159 C GLY A 12 8.534 -8.165 6.359 1.00 4.12 C ATOM 160 O GLY A 12 7.671 -8.464 5.527 1.00 42.24 O ATOM 0 HA2 GLY A 12 10.610 -8.393 6.863 1.00 51.42 H new ATOM 0 HA3 GLY A 12 10.092 -9.374 5.506 1.00 51.42 H new ATOM 164 N ALA A 13 8.437 -7.107 7.189 1.00 32.43 N ATOM 165 CA ALA A 13 7.284 -6.191 7.189 1.00 11.24 C ATOM 166 C ALA A 13 7.746 -4.725 7.183 1.00 43.42 C ATOM 167 O ALA A 13 8.895 -4.432 7.531 1.00 52.00 O ATOM 168 CB ALA A 13 6.389 -6.469 8.396 1.00 44.40 C ATOM 0 H ALA A 13 9.153 -6.866 7.874 1.00 32.43 H new ATOM 0 HA ALA A 13 6.708 -6.364 6.280 1.00 11.24 H new ATOM 0 HB1 ALA A 13 5.540 -5.785 8.385 1.00 44.40 H new ATOM 0 HB2 ALA A 13 6.028 -7.497 8.352 1.00 44.40 H new ATOM 0 HB3 ALA A 13 6.960 -6.324 9.313 1.00 44.40 H new ATOM 174 N VAL A 14 6.844 -3.811 6.775 1.00 70.22 N ATOM 175 CA VAL A 14 7.146 -2.372 6.704 1.00 64.44 C ATOM 176 C VAL A 14 6.581 -1.633 7.940 1.00 20.34 C ATOM 177 O VAL A 14 5.403 -1.790 8.276 1.00 43.40 O ATOM 178 CB VAL A 14 6.628 -1.778 5.332 1.00 4.10 C ATOM 179 CG1 VAL A 14 5.684 -0.576 5.476 1.00 32.20 C ATOM 180 CG2 VAL A 14 7.806 -1.435 4.414 1.00 65.11 C ATOM 0 H VAL A 14 5.894 -4.049 6.488 1.00 70.22 H new ATOM 0 HA VAL A 14 8.225 -2.222 6.728 1.00 64.44 H new ATOM 0 HB VAL A 14 6.027 -2.567 4.880 1.00 4.10 H new ATOM 0 HG11 VAL A 14 5.378 -0.233 4.488 1.00 32.20 H new ATOM 0 HG12 VAL A 14 4.803 -0.871 6.046 1.00 32.20 H new ATOM 0 HG13 VAL A 14 6.199 0.231 5.996 1.00 32.20 H new ATOM 0 HG21 VAL A 14 7.429 -1.028 3.476 1.00 65.11 H new ATOM 0 HG22 VAL A 14 8.443 -0.696 4.900 1.00 65.11 H new ATOM 0 HG23 VAL A 14 8.385 -2.336 4.212 1.00 65.11 H new ATOM 190 N THR A 15 7.441 -0.834 8.613 1.00 20.43 N ATOM 191 CA THR A 15 7.046 -0.069 9.819 1.00 4.00 C ATOM 192 C THR A 15 8.116 0.985 10.185 1.00 25.52 C ATOM 193 O THR A 15 9.315 0.728 10.036 1.00 62.42 O ATOM 194 CB THR A 15 6.785 -1.026 11.016 1.00 72.21 C ATOM 195 OG1 THR A 15 6.347 -0.310 12.169 1.00 2.14 O ATOM 196 CG2 THR A 15 7.986 -1.880 11.417 1.00 23.13 C ATOM 0 H THR A 15 8.415 -0.702 8.341 1.00 20.43 H new ATOM 0 HA THR A 15 6.119 0.458 9.593 1.00 4.00 H new ATOM 0 HB THR A 15 6.007 -1.698 10.654 1.00 72.21 H new ATOM 0 HG1 THR A 15 6.190 -0.939 12.904 1.00 2.14 H new ATOM 0 HG21 THR A 15 7.715 -2.517 12.259 1.00 23.13 H new ATOM 0 HG22 THR A 15 8.288 -2.502 10.574 1.00 23.13 H new ATOM 0 HG23 THR A 15 8.814 -1.232 11.704 1.00 23.13 H new ATOM 204 N THR A 16 7.666 2.164 10.667 1.00 0.00 N ATOM 205 CA THR A 16 8.576 3.263 11.061 1.00 32.44 C ATOM 206 C THR A 16 8.074 3.967 12.346 1.00 24.00 C ATOM 207 O THR A 16 6.916 3.796 12.740 1.00 22.12 O ATOM 208 CB THR A 16 8.732 4.270 9.891 1.00 41.53 C ATOM 209 OG1 THR A 16 8.828 3.590 8.642 1.00 54.41 O ATOM 210 CG2 THR A 16 9.950 5.178 10.006 1.00 44.43 C ATOM 0 H THR A 16 6.677 2.380 10.793 1.00 0.00 H new ATOM 0 HA THR A 16 9.556 2.841 11.284 1.00 32.44 H new ATOM 0 HB THR A 16 7.837 4.889 9.946 1.00 41.53 H new ATOM 0 HG1 THR A 16 8.924 4.245 7.919 1.00 54.41 H new ATOM 0 HG21 THR A 16 9.985 5.851 9.149 1.00 44.43 H new ATOM 0 HG22 THR A 16 9.883 5.763 10.924 1.00 44.43 H new ATOM 0 HG23 THR A 16 10.855 4.571 10.028 1.00 44.43 H new ATOM 218 N SER A 17 8.972 4.741 13.005 1.00 53.31 N ATOM 219 CA SER A 17 8.659 5.464 14.266 1.00 4.21 C ATOM 220 C SER A 17 7.487 6.469 14.148 1.00 53.12 C ATOM 221 O SER A 17 6.783 6.690 15.138 1.00 5.24 O ATOM 222 CB SER A 17 9.909 6.195 14.792 1.00 44.43 C ATOM 223 OG SER A 17 10.964 5.282 15.054 1.00 52.00 O ATOM 0 H SER A 17 9.929 4.882 12.681 1.00 53.31 H new ATOM 0 HA SER A 17 8.339 4.695 14.969 1.00 4.21 H new ATOM 0 HB2 SER A 17 10.237 6.934 14.060 1.00 44.43 H new ATOM 0 HB3 SER A 17 9.660 6.738 15.703 1.00 44.43 H new ATOM 0 HG SER A 17 11.746 5.772 15.385 1.00 52.00 H new ATOM 229 N GLN A 18 7.279 7.077 12.955 1.00 62.44 N ATOM 230 CA GLN A 18 6.181 8.057 12.747 1.00 62.51 C ATOM 231 C GLN A 18 4.801 7.410 13.002 1.00 61.34 C ATOM 232 O GLN A 18 4.083 7.824 13.919 1.00 73.03 O ATOM 233 CB GLN A 18 6.242 8.658 11.318 1.00 32.54 C ATOM 234 CG GLN A 18 7.195 9.849 11.168 1.00 54.00 C ATOM 235 CD GLN A 18 8.668 9.446 11.140 1.00 25.22 C ATOM 236 OE1 GLN A 18 9.207 9.120 10.081 1.00 20.24 O ATOM 237 NE2 GLN A 18 9.330 9.462 12.300 1.00 45.44 N ATOM 0 H GLN A 18 7.851 6.909 12.127 1.00 62.44 H new ATOM 0 HA GLN A 18 6.315 8.864 13.467 1.00 62.51 H new ATOM 0 HB2 GLN A 18 6.546 7.876 10.622 1.00 32.54 H new ATOM 0 HB3 GLN A 18 5.240 8.972 11.027 1.00 32.54 H new ATOM 0 HG2 GLN A 18 6.955 10.384 10.249 1.00 54.00 H new ATOM 0 HG3 GLN A 18 7.031 10.542 11.993 1.00 54.00 H new ATOM 0 HE21 GLN A 18 8.851 9.738 13.157 1.00 45.44 H new ATOM 0 HE22 GLN A 18 10.315 9.199 12.329 1.00 45.44 H new ATOM 246 N ILE A 19 4.456 6.385 12.196 1.00 52.53 N ATOM 247 CA ILE A 19 3.185 5.647 12.327 1.00 21.11 C ATOM 248 C ILE A 19 3.494 4.128 12.317 1.00 32.33 C ATOM 249 O ILE A 19 3.447 3.488 11.259 1.00 34.25 O ATOM 250 CB ILE A 19 2.159 6.025 11.194 1.00 40.40 C ATOM 251 CG1 ILE A 19 1.885 7.553 11.191 1.00 21.43 C ATOM 252 CG2 ILE A 19 0.842 5.245 11.356 1.00 5.24 C ATOM 253 CD1 ILE A 19 1.129 8.058 9.973 1.00 62.14 C ATOM 0 H ILE A 19 5.049 6.047 11.438 1.00 52.53 H new ATOM 0 HA ILE A 19 2.712 5.924 13.269 1.00 21.11 H new ATOM 0 HB ILE A 19 2.602 5.749 10.237 1.00 40.40 H new ATOM 0 HG12 ILE A 19 1.318 7.809 12.086 1.00 21.43 H new ATOM 0 HG13 ILE A 19 2.837 8.080 11.255 1.00 21.43 H new ATOM 0 HG21 ILE A 19 0.152 5.526 10.560 1.00 5.24 H new ATOM 0 HG22 ILE A 19 1.044 4.175 11.301 1.00 5.24 H new ATOM 0 HG23 ILE A 19 0.396 5.481 12.322 1.00 5.24 H new ATOM 0 HD11 ILE A 19 0.983 9.135 10.056 1.00 62.14 H new ATOM 0 HD12 ILE A 19 1.702 7.838 9.072 1.00 62.14 H new ATOM 0 HD13 ILE A 19 0.159 7.563 9.916 1.00 62.14 H new ATOM 265 N PRO A 20 3.859 3.533 13.495 1.00 22.22 N ATOM 266 CA PRO A 20 4.213 2.099 13.593 1.00 74.43 C ATOM 267 C PRO A 20 2.991 1.151 13.597 1.00 43.44 C ATOM 268 O PRO A 20 1.849 1.593 13.426 1.00 11.00 O ATOM 269 CB PRO A 20 4.987 2.037 14.922 1.00 4.13 C ATOM 270 CG PRO A 20 4.392 3.115 15.759 1.00 64.53 C ATOM 271 CD PRO A 20 3.993 4.215 14.811 1.00 20.44 C ATOM 0 HA PRO A 20 4.782 1.758 12.728 1.00 74.43 H new ATOM 0 HB2 PRO A 20 4.879 1.062 15.397 1.00 4.13 H new ATOM 0 HB3 PRO A 20 6.054 2.200 14.767 1.00 4.13 H new ATOM 0 HG2 PRO A 20 3.528 2.746 16.312 1.00 64.53 H new ATOM 0 HG3 PRO A 20 5.110 3.477 16.495 1.00 64.53 H new ATOM 0 HD2 PRO A 20 3.056 4.682 15.115 1.00 20.44 H new ATOM 0 HD3 PRO A 20 4.745 5.003 14.776 1.00 20.44 H new ATOM 279 N ALA A 21 3.260 -0.160 13.787 1.00 15.11 N ATOM 280 CA ALA A 21 2.215 -1.206 13.814 1.00 75.23 C ATOM 281 C ALA A 21 1.234 -1.061 14.998 1.00 34.45 C ATOM 282 O ALA A 21 0.097 -1.536 14.911 1.00 41.23 O ATOM 283 CB ALA A 21 2.858 -2.591 13.840 1.00 3.34 C ATOM 0 H ALA A 21 4.204 -0.521 13.925 1.00 15.11 H new ATOM 0 HA ALA A 21 1.629 -1.080 12.903 1.00 75.23 H new ATOM 0 HB1 ALA A 21 2.079 -3.353 13.860 1.00 3.34 H new ATOM 0 HB2 ALA A 21 3.473 -2.723 12.950 1.00 3.34 H new ATOM 0 HB3 ALA A 21 3.481 -2.686 14.729 1.00 3.34 H new ATOM 289 N SER A 22 1.670 -0.408 16.103 1.00 43.04 N ATOM 290 CA SER A 22 0.818 -0.209 17.299 1.00 42.12 C ATOM 291 C SER A 22 -0.489 0.543 16.964 1.00 43.20 C ATOM 292 O SER A 22 -1.550 0.204 17.500 1.00 42.52 O ATOM 293 CB SER A 22 1.590 0.550 18.392 1.00 43.34 C ATOM 294 OG SER A 22 0.879 0.551 19.621 1.00 40.04 O ATOM 0 H SER A 22 2.606 -0.011 16.190 1.00 43.04 H new ATOM 0 HA SER A 22 0.548 -1.199 17.666 1.00 42.12 H new ATOM 0 HB2 SER A 22 2.568 0.090 18.536 1.00 43.34 H new ATOM 0 HB3 SER A 22 1.765 1.577 18.070 1.00 43.34 H new ATOM 0 HG SER A 22 1.394 1.039 20.297 1.00 40.04 H new ATOM 300 N GLU A 23 -0.404 1.549 16.069 1.00 70.20 N ATOM 301 CA GLU A 23 -1.580 2.339 15.652 1.00 0.55 C ATOM 302 C GLU A 23 -2.258 1.706 14.422 1.00 2.30 C ATOM 303 O GLU A 23 -3.487 1.606 14.382 1.00 32.10 O ATOM 304 CB GLU A 23 -1.181 3.801 15.345 1.00 62.24 C ATOM 305 CG GLU A 23 -0.763 4.618 16.572 1.00 31.22 C ATOM 306 CD GLU A 23 -1.944 5.102 17.402 1.00 45.41 C ATOM 307 OE1 GLU A 23 -2.474 6.193 17.101 1.00 71.54 O ATOM 308 OE2 GLU A 23 -2.337 4.390 18.350 1.00 63.11 O1- ATOM 0 H GLU A 23 0.467 1.833 15.621 1.00 70.20 H new ATOM 0 HA GLU A 23 -2.291 2.339 16.479 1.00 0.55 H new ATOM 0 HB2 GLU A 23 -0.358 3.797 14.630 1.00 62.24 H new ATOM 0 HB3 GLU A 23 -2.021 4.299 14.862 1.00 62.24 H new ATOM 0 HG2 GLU A 23 -0.111 4.011 17.200 1.00 31.22 H new ATOM 0 HG3 GLU A 23 -0.180 5.479 16.246 1.00 31.22 H new ATOM 315 N GLN A 24 -1.451 1.283 13.420 1.00 50.43 N ATOM 316 CA GLN A 24 -1.975 0.662 12.188 1.00 33.55 C ATOM 317 C GLN A 24 -1.942 -0.878 12.284 1.00 50.23 C ATOM 318 O GLN A 24 -0.983 -1.522 11.841 1.00 55.33 O ATOM 319 CB GLN A 24 -1.183 1.147 10.948 1.00 54.34 C ATOM 320 CG GLN A 24 -1.302 2.647 10.657 1.00 64.54 C ATOM 321 CD GLN A 24 -2.674 3.061 10.127 1.00 24.34 C ATOM 322 OE1 GLN A 24 -2.883 3.126 8.916 1.00 54.43 O ATOM 323 NE2 GLN A 24 -3.618 3.347 11.027 1.00 55.41 N ATOM 0 H GLN A 24 -0.434 1.362 13.444 1.00 50.43 H new ATOM 0 HA GLN A 24 -3.014 0.971 12.075 1.00 33.55 H new ATOM 0 HB2 GLN A 24 -0.130 0.900 11.087 1.00 54.34 H new ATOM 0 HB3 GLN A 24 -1.527 0.593 10.075 1.00 54.34 H new ATOM 0 HG2 GLN A 24 -1.092 3.203 11.570 1.00 64.54 H new ATOM 0 HG3 GLN A 24 -0.541 2.929 9.930 1.00 64.54 H new ATOM 0 HE21 GLN A 24 -3.409 3.282 12.023 1.00 55.41 H new ATOM 0 HE22 GLN A 24 -4.548 3.630 10.718 1.00 55.41 H new ATOM 332 N GLU A 25 -3.010 -1.458 12.868 1.00 15.32 N ATOM 333 CA GLU A 25 -3.144 -2.922 13.031 1.00 53.51 C ATOM 334 C GLU A 25 -4.623 -3.342 12.868 1.00 32.21 C ATOM 335 O GLU A 25 -5.257 -3.825 13.814 1.00 24.54 O ATOM 336 CB GLU A 25 -2.568 -3.391 14.396 1.00 65.23 C ATOM 337 CG GLU A 25 -2.997 -2.553 15.607 1.00 75.32 C ATOM 338 CD GLU A 25 -2.556 -3.155 16.933 1.00 31.12 C ATOM 339 OE1 GLU A 25 -1.414 -2.884 17.359 1.00 61.33 O1- ATOM 340 OE2 GLU A 25 -3.352 -3.896 17.546 1.00 21.24 O ATOM 0 H GLU A 25 -3.800 -0.930 13.238 1.00 15.32 H new ATOM 0 HA GLU A 25 -2.561 -3.412 12.251 1.00 53.51 H new ATOM 0 HB2 GLU A 25 -2.870 -4.425 14.564 1.00 65.23 H new ATOM 0 HB3 GLU A 25 -1.480 -3.383 14.335 1.00 65.23 H new ATOM 0 HG2 GLU A 25 -2.581 -1.550 15.513 1.00 75.32 H new ATOM 0 HG3 GLU A 25 -4.082 -2.450 15.604 1.00 75.32 H new ATOM 347 N THR A 26 -5.168 -3.128 11.650 1.00 13.22 N ATOM 348 CA THR A 26 -6.573 -3.452 11.333 1.00 43.24 C ATOM 349 C THR A 26 -6.675 -4.350 10.084 1.00 53.31 C ATOM 350 O THR A 26 -5.885 -4.210 9.147 1.00 72.25 O ATOM 351 CB THR A 26 -7.369 -2.139 11.114 1.00 40.11 C ATOM 352 OG1 THR A 26 -7.156 -1.226 12.189 1.00 0.02 O ATOM 353 CG2 THR A 26 -8.876 -2.330 10.961 1.00 24.13 C ATOM 0 H THR A 26 -4.650 -2.729 10.867 1.00 13.22 H new ATOM 0 HA THR A 26 -6.997 -4.003 12.172 1.00 43.24 H new ATOM 0 HB THR A 26 -6.985 -1.746 10.173 1.00 40.11 H new ATOM 0 HG1 THR A 26 -7.667 -0.405 12.027 1.00 0.02 H new ATOM 0 HG21 THR A 26 -9.352 -1.361 10.812 1.00 24.13 H new ATOM 0 HG22 THR A 26 -9.076 -2.969 10.101 1.00 24.13 H new ATOM 0 HG23 THR A 26 -9.277 -2.797 11.861 1.00 24.13 H new ATOM 361 N LEU A 27 -7.679 -5.254 10.074 1.00 54.43 N ATOM 362 CA LEU A 27 -7.918 -6.163 8.936 1.00 10.43 C ATOM 363 C LEU A 27 -8.708 -5.433 7.834 1.00 51.35 C ATOM 364 O LEU A 27 -9.619 -4.654 8.138 1.00 50.31 O ATOM 365 CB LEU A 27 -8.680 -7.429 9.395 1.00 10.30 C ATOM 366 CG LEU A 27 -7.816 -8.521 10.077 1.00 52.25 C ATOM 367 CD1 LEU A 27 -8.674 -9.431 10.962 1.00 72.22 C ATOM 368 CD2 LEU A 27 -7.050 -9.348 9.035 1.00 65.44 C ATOM 0 H LEU A 27 -8.337 -5.372 10.844 1.00 54.43 H new ATOM 0 HA LEU A 27 -6.954 -6.474 8.534 1.00 10.43 H new ATOM 0 HB2 LEU A 27 -9.465 -7.127 10.088 1.00 10.30 H new ATOM 0 HB3 LEU A 27 -9.172 -7.869 8.528 1.00 10.30 H new ATOM 0 HG LEU A 27 -7.089 -8.017 10.713 1.00 52.25 H new ATOM 0 HD11 LEU A 27 -8.042 -10.187 11.427 1.00 72.22 H new ATOM 0 HD12 LEU A 27 -9.157 -8.835 11.736 1.00 72.22 H new ATOM 0 HD13 LEU A 27 -9.435 -9.919 10.353 1.00 72.22 H new ATOM 0 HD21 LEU A 27 -6.452 -10.106 9.540 1.00 65.44 H new ATOM 0 HD22 LEU A 27 -7.758 -9.833 8.363 1.00 65.44 H new ATOM 0 HD23 LEU A 27 -6.395 -8.693 8.461 1.00 65.44 H new ATOM 380 N VAL A 28 -8.343 -5.676 6.558 1.00 53.23 N ATOM 381 CA VAL A 28 -9.003 -5.031 5.405 1.00 34.23 C ATOM 382 C VAL A 28 -9.641 -6.070 4.459 1.00 32.41 C ATOM 383 O VAL A 28 -9.182 -7.216 4.388 1.00 4.13 O ATOM 384 CB VAL A 28 -8.015 -4.110 4.609 1.00 43.42 C ATOM 385 CG1 VAL A 28 -7.516 -2.961 5.491 1.00 31.11 C ATOM 386 CG2 VAL A 28 -6.828 -4.888 4.024 1.00 34.41 C ATOM 0 H VAL A 28 -7.592 -6.317 6.300 1.00 53.23 H new ATOM 0 HA VAL A 28 -9.797 -4.405 5.812 1.00 34.23 H new ATOM 0 HB VAL A 28 -8.575 -3.698 3.769 1.00 43.42 H new ATOM 0 HG11 VAL A 28 -6.832 -2.334 4.919 1.00 31.11 H new ATOM 0 HG12 VAL A 28 -8.364 -2.363 5.824 1.00 31.11 H new ATOM 0 HG13 VAL A 28 -6.996 -3.368 6.359 1.00 31.11 H new ATOM 0 HG21 VAL A 28 -6.175 -4.203 3.483 1.00 34.41 H new ATOM 0 HG22 VAL A 28 -6.269 -5.360 4.832 1.00 34.41 H new ATOM 0 HG23 VAL A 28 -7.196 -5.654 3.341 1.00 34.41 H new ATOM 396 N ARG A 29 -10.699 -5.649 3.736 1.00 13.43 N ATOM 397 CA ARG A 29 -11.420 -6.520 2.786 1.00 74.32 C ATOM 398 C ARG A 29 -11.123 -6.103 1.328 1.00 42.34 C ATOM 399 O ARG A 29 -10.847 -4.927 1.073 1.00 50.15 O ATOM 400 CB ARG A 29 -12.939 -6.445 3.045 1.00 11.23 C ATOM 401 CG ARG A 29 -13.375 -6.946 4.429 1.00 2.32 C ATOM 402 CD ARG A 29 -14.650 -6.252 4.916 1.00 21.13 C ATOM 403 NE ARG A 29 -15.253 -6.923 6.082 1.00 70.41 N ATOM 404 CZ ARG A 29 -16.224 -6.396 6.863 1.00 60.04 C ATOM 405 NH1 ARG A 29 -16.723 -5.173 6.630 1.00 31.31 N1+ ATOM 406 NH2 ARG A 29 -16.700 -7.103 7.890 1.00 10.24 N ATOM 0 H ARG A 29 -11.075 -4.703 3.794 1.00 13.43 H new ATOM 0 HA ARG A 29 -11.077 -7.544 2.935 1.00 74.32 H new ATOM 0 HB2 ARG A 29 -13.264 -5.411 2.928 1.00 11.23 H new ATOM 0 HB3 ARG A 29 -13.454 -7.029 2.282 1.00 11.23 H new ATOM 0 HG2 ARG A 29 -13.541 -8.023 4.389 1.00 2.32 H new ATOM 0 HG3 ARG A 29 -12.572 -6.774 5.146 1.00 2.32 H new ATOM 0 HD2 ARG A 29 -14.420 -5.219 5.175 1.00 21.13 H new ATOM 0 HD3 ARG A 29 -15.376 -6.223 4.103 1.00 21.13 H new ATOM 0 HE ARG A 29 -14.912 -7.855 6.318 1.00 70.41 H new ATOM 0 HH11 ARG A 29 -16.371 -4.619 5.850 1.00 31.31 H new ATOM 0 HH12 ARG A 29 -17.455 -4.797 7.233 1.00 31.31 H new ATOM 0 HH21 ARG A 29 -16.332 -8.035 8.082 1.00 10.24 H new ATOM 0 HH22 ARG A 29 -17.432 -6.712 8.483 1.00 10.24 H new ATOM 420 N PRO A 30 -11.184 -7.055 0.338 1.00 1.43 N ATOM 421 CA PRO A 30 -10.923 -6.742 -1.080 1.00 62.33 C ATOM 422 C PRO A 30 -12.149 -6.109 -1.785 1.00 63.42 C ATOM 423 O PRO A 30 -12.895 -6.793 -2.496 1.00 62.02 O ATOM 424 CB PRO A 30 -10.561 -8.119 -1.664 1.00 20.01 C ATOM 425 CG PRO A 30 -11.339 -9.101 -0.851 1.00 42.43 C ATOM 426 CD PRO A 30 -11.514 -8.494 0.521 1.00 13.21 C ATOM 0 HA PRO A 30 -10.140 -5.996 -1.215 1.00 62.33 H new ATOM 0 HB2 PRO A 30 -10.827 -8.182 -2.719 1.00 20.01 H new ATOM 0 HB3 PRO A 30 -9.490 -8.309 -1.593 1.00 20.01 H new ATOM 0 HG2 PRO A 30 -12.307 -9.302 -1.311 1.00 42.43 H new ATOM 0 HG3 PRO A 30 -10.812 -10.053 -0.788 1.00 42.43 H new ATOM 0 HD2 PRO A 30 -12.533 -8.624 0.885 1.00 13.21 H new ATOM 0 HD3 PRO A 30 -10.853 -8.963 1.250 1.00 13.21 H new ATOM 434 N LYS A 31 -12.350 -4.793 -1.560 1.00 71.55 N ATOM 435 CA LYS A 31 -13.482 -4.047 -2.150 1.00 34.12 C ATOM 436 C LYS A 31 -13.035 -2.715 -2.822 1.00 3.32 C ATOM 437 O LYS A 31 -13.179 -2.594 -4.043 1.00 22.31 O ATOM 438 CB LYS A 31 -14.581 -3.804 -1.083 1.00 25.21 C ATOM 439 CG LYS A 31 -15.644 -4.910 -1.011 1.00 64.20 C ATOM 440 CD LYS A 31 -16.790 -4.699 -2.013 1.00 65.34 C ATOM 441 CE LYS A 31 -17.823 -3.679 -1.523 1.00 14.54 C ATOM 442 NZ LYS A 31 -18.755 -4.250 -0.503 1.00 41.25 N1+ ATOM 0 H LYS A 31 -11.741 -4.224 -0.972 1.00 71.55 H new ATOM 0 HA LYS A 31 -13.900 -4.663 -2.946 1.00 34.12 H new ATOM 0 HB2 LYS A 31 -14.108 -3.706 -0.106 1.00 25.21 H new ATOM 0 HB3 LYS A 31 -15.074 -2.855 -1.295 1.00 25.21 H new ATOM 0 HG2 LYS A 31 -15.173 -5.874 -1.202 1.00 64.20 H new ATOM 0 HG3 LYS A 31 -16.053 -4.950 -0.001 1.00 64.20 H new ATOM 0 HD2 LYS A 31 -16.378 -4.364 -2.965 1.00 65.34 H new ATOM 0 HD3 LYS A 31 -17.286 -5.652 -2.198 1.00 65.34 H new ATOM 0 HE2 LYS A 31 -17.306 -2.820 -1.096 1.00 14.54 H new ATOM 0 HE3 LYS A 31 -18.400 -3.314 -2.373 1.00 14.54 H new ATOM 0 HZ1 LYS A 31 -19.433 -3.520 -0.205 1.00 41.25 H new ATOM 0 HZ2 LYS A 31 -19.271 -5.054 -0.915 1.00 41.25 H new ATOM 0 HZ3 LYS A 31 -18.211 -4.574 0.322 1.00 41.25 H new ATOM 456 N PRO A 32 -12.514 -1.677 -2.068 1.00 35.13 N ATOM 457 CA PRO A 32 -12.105 -0.380 -2.677 1.00 62.42 C ATOM 458 C PRO A 32 -10.897 -0.477 -3.651 1.00 45.23 C ATOM 459 O PRO A 32 -10.465 -1.574 -4.012 1.00 52.10 O ATOM 460 CB PRO A 32 -11.795 0.511 -1.455 1.00 21.53 C ATOM 461 CG PRO A 32 -11.491 -0.430 -0.350 1.00 53.02 C ATOM 462 CD PRO A 32 -12.320 -1.658 -0.592 1.00 24.11 C ATOM 0 HA PRO A 32 -12.891 0.018 -3.319 1.00 62.42 H new ATOM 0 HB2 PRO A 32 -10.950 1.170 -1.654 1.00 21.53 H new ATOM 0 HB3 PRO A 32 -12.644 1.147 -1.207 1.00 21.53 H new ATOM 0 HG2 PRO A 32 -10.429 -0.677 -0.332 1.00 53.02 H new ATOM 0 HG3 PRO A 32 -11.731 0.016 0.615 1.00 53.02 H new ATOM 0 HD2 PRO A 32 -11.812 -2.557 -0.245 1.00 24.11 H new ATOM 0 HD3 PRO A 32 -13.273 -1.607 -0.065 1.00 24.11 H new ATOM 470 N LEU A 33 -10.396 0.699 -4.099 1.00 40.21 N ATOM 471 CA LEU A 33 -9.274 0.799 -5.066 1.00 22.14 C ATOM 472 C LEU A 33 -7.879 0.619 -4.416 1.00 0.23 C ATOM 473 O LEU A 33 -6.954 0.151 -5.085 1.00 22.34 O ATOM 474 CB LEU A 33 -9.347 2.176 -5.795 1.00 73.41 C ATOM 475 CG LEU A 33 -8.856 2.258 -7.270 1.00 35.32 C ATOM 476 CD1 LEU A 33 -7.330 2.242 -7.369 1.00 73.41 C ATOM 477 CD2 LEU A 33 -9.474 1.162 -8.147 1.00 72.31 C ATOM 0 H LEU A 33 -10.757 1.605 -3.801 1.00 40.21 H new ATOM 0 HA LEU A 33 -9.389 -0.022 -5.774 1.00 22.14 H new ATOM 0 HB2 LEU A 33 -10.384 2.510 -5.771 1.00 73.41 H new ATOM 0 HB3 LEU A 33 -8.768 2.892 -5.212 1.00 73.41 H new ATOM 0 HG LEU A 33 -9.201 3.218 -7.654 1.00 35.32 H new ATOM 0 HD11 LEU A 33 -7.033 2.301 -8.416 1.00 73.41 H new ATOM 0 HD12 LEU A 33 -6.921 3.095 -6.827 1.00 73.41 H new ATOM 0 HD13 LEU A 33 -6.947 1.319 -6.934 1.00 73.41 H new ATOM 0 HD21 LEU A 33 -9.102 1.259 -9.167 1.00 72.31 H new ATOM 0 HD22 LEU A 33 -9.200 0.183 -7.753 1.00 72.31 H new ATOM 0 HD23 LEU A 33 -10.559 1.263 -8.145 1.00 72.31 H new ATOM 489 N LEU A 34 -7.721 1.018 -3.133 1.00 74.13 N ATOM 490 CA LEU A 34 -6.417 0.928 -2.423 1.00 32.54 C ATOM 491 C LEU A 34 -5.807 -0.494 -2.446 1.00 51.43 C ATOM 492 O LEU A 34 -4.656 -0.658 -2.859 1.00 64.22 O ATOM 493 CB LEU A 34 -6.553 1.447 -0.965 1.00 50.24 C ATOM 494 CG LEU A 34 -5.284 2.053 -0.301 1.00 52.25 C ATOM 495 CD1 LEU A 34 -4.219 0.983 -0.029 1.00 24.00 C ATOM 496 CD2 LEU A 34 -4.706 3.210 -1.133 1.00 62.05 C ATOM 0 H LEU A 34 -8.476 1.405 -2.567 1.00 74.13 H new ATOM 0 HA LEU A 34 -5.722 1.567 -2.967 1.00 32.54 H new ATOM 0 HB2 LEU A 34 -7.336 2.205 -0.949 1.00 50.24 H new ATOM 0 HB3 LEU A 34 -6.896 0.620 -0.343 1.00 50.24 H new ATOM 0 HG LEU A 34 -5.593 2.461 0.661 1.00 52.25 H new ATOM 0 HD11 LEU A 34 -3.348 1.446 0.435 1.00 24.00 H new ATOM 0 HD12 LEU A 34 -4.627 0.225 0.640 1.00 24.00 H new ATOM 0 HD13 LEU A 34 -3.924 0.516 -0.969 1.00 24.00 H new ATOM 0 HD21 LEU A 34 -3.820 3.608 -0.637 1.00 62.05 H new ATOM 0 HD22 LEU A 34 -4.434 2.845 -2.124 1.00 62.05 H new ATOM 0 HD23 LEU A 34 -5.453 3.998 -1.229 1.00 62.05 H new ATOM 508 N LEU A 35 -6.578 -1.510 -2.009 1.00 11.24 N ATOM 509 CA LEU A 35 -6.093 -2.916 -1.992 1.00 62.41 C ATOM 510 C LEU A 35 -6.218 -3.631 -3.367 1.00 3.24 C ATOM 511 O LEU A 35 -5.895 -4.820 -3.471 1.00 21.44 O ATOM 512 CB LEU A 35 -6.761 -3.762 -0.860 1.00 33.13 C ATOM 513 CG LEU A 35 -8.308 -3.694 -0.651 1.00 32.42 C ATOM 514 CD1 LEU A 35 -8.689 -2.613 0.368 1.00 42.25 C ATOM 515 CD2 LEU A 35 -9.090 -3.524 -1.965 1.00 53.21 C ATOM 0 H LEU A 35 -7.531 -1.391 -1.665 1.00 11.24 H new ATOM 0 HA LEU A 35 -5.028 -2.845 -1.773 1.00 62.41 H new ATOM 0 HB2 LEU A 35 -6.502 -4.806 -1.038 1.00 33.13 H new ATOM 0 HB3 LEU A 35 -6.293 -3.474 0.081 1.00 33.13 H new ATOM 0 HG LEU A 35 -8.601 -4.662 -0.245 1.00 32.42 H new ATOM 0 HD11 LEU A 35 -9.772 -2.593 0.489 1.00 42.25 H new ATOM 0 HD12 LEU A 35 -8.221 -2.835 1.327 1.00 42.25 H new ATOM 0 HD13 LEU A 35 -8.346 -1.641 0.013 1.00 42.25 H new ATOM 0 HD21 LEU A 35 -10.158 -3.484 -1.750 1.00 53.21 H new ATOM 0 HD22 LEU A 35 -8.783 -2.599 -2.454 1.00 53.21 H new ATOM 0 HD23 LEU A 35 -8.884 -4.368 -2.623 1.00 53.21 H new ATOM 527 N LYS A 36 -6.658 -2.907 -4.424 1.00 64.43 N ATOM 528 CA LYS A 36 -6.785 -3.481 -5.780 1.00 34.42 C ATOM 529 C LYS A 36 -5.412 -3.562 -6.492 1.00 74.01 C ATOM 530 O LYS A 36 -5.233 -4.382 -7.398 1.00 55.52 O ATOM 531 CB LYS A 36 -7.779 -2.650 -6.625 1.00 44.33 C ATOM 532 CG LYS A 36 -8.527 -3.457 -7.691 1.00 5.20 C ATOM 533 CD LYS A 36 -9.469 -2.577 -8.518 1.00 1.34 C ATOM 534 CE LYS A 36 -10.366 -3.398 -9.447 1.00 64.02 C ATOM 535 NZ LYS A 36 -9.619 -3.975 -10.606 1.00 63.50 N1+ ATOM 0 H LYS A 36 -6.930 -1.926 -4.361 1.00 64.43 H new ATOM 0 HA LYS A 36 -7.168 -4.496 -5.677 1.00 34.42 H new ATOM 0 HB2 LYS A 36 -8.507 -2.188 -5.958 1.00 44.33 H new ATOM 0 HB3 LYS A 36 -7.235 -1.841 -7.113 1.00 44.33 H new ATOM 0 HG2 LYS A 36 -7.807 -3.940 -8.352 1.00 5.20 H new ATOM 0 HG3 LYS A 36 -9.100 -4.250 -7.210 1.00 5.20 H new ATOM 0 HD2 LYS A 36 -10.091 -1.984 -7.847 1.00 1.34 H new ATOM 0 HD3 LYS A 36 -8.881 -1.876 -9.111 1.00 1.34 H new ATOM 0 HE2 LYS A 36 -10.828 -4.206 -8.879 1.00 64.02 H new ATOM 0 HE3 LYS A 36 -11.173 -2.766 -9.818 1.00 64.02 H new ATOM 0 HZ1 LYS A 36 -10.272 -4.521 -11.203 1.00 63.50 H new ATOM 0 HZ2 LYS A 36 -9.199 -3.206 -11.166 1.00 63.50 H new ATOM 0 HZ3 LYS A 36 -8.865 -4.600 -10.256 1.00 63.50 H new ATOM 549 N LEU A 37 -4.446 -2.711 -6.066 1.00 1.31 N ATOM 550 CA LEU A 37 -3.088 -2.685 -6.648 1.00 24.05 C ATOM 551 C LEU A 37 -2.300 -3.953 -6.273 1.00 64.23 C ATOM 552 O LEU A 37 -1.701 -4.586 -7.147 1.00 0.25 O ATOM 553 CB LEU A 37 -2.332 -1.409 -6.181 1.00 75.31 C ATOM 554 CG LEU A 37 -0.943 -1.104 -6.822 1.00 20.44 C ATOM 555 CD1 LEU A 37 0.174 -1.961 -6.213 1.00 1.25 C ATOM 556 CD2 LEU A 37 -0.974 -1.254 -8.347 1.00 60.52 C ATOM 0 H LEU A 37 -4.587 -2.032 -5.318 1.00 1.31 H new ATOM 0 HA LEU A 37 -3.180 -2.661 -7.734 1.00 24.05 H new ATOM 0 HB2 LEU A 37 -2.980 -0.552 -6.364 1.00 75.31 H new ATOM 0 HB3 LEU A 37 -2.194 -1.479 -5.102 1.00 75.31 H new ATOM 0 HG LEU A 37 -0.720 -0.062 -6.593 1.00 20.44 H new ATOM 0 HD11 LEU A 37 1.123 -1.715 -6.690 1.00 1.25 H new ATOM 0 HD12 LEU A 37 0.243 -1.762 -5.143 1.00 1.25 H new ATOM 0 HD13 LEU A 37 -0.049 -3.016 -6.372 1.00 1.25 H new ATOM 0 HD21 LEU A 37 0.013 -1.033 -8.754 1.00 60.52 H new ATOM 0 HD22 LEU A 37 -1.253 -2.275 -8.607 1.00 60.52 H new ATOM 0 HD23 LEU A 37 -1.703 -0.561 -8.766 1.00 60.52 H new ATOM 568 N LEU A 38 -2.311 -4.319 -4.971 1.00 32.21 N ATOM 569 CA LEU A 38 -1.593 -5.524 -4.479 1.00 11.45 C ATOM 570 C LEU A 38 -2.233 -6.851 -4.958 1.00 11.34 C ATOM 571 O LEU A 38 -1.615 -7.910 -4.819 1.00 65.43 O ATOM 572 CB LEU A 38 -1.434 -5.528 -2.936 1.00 53.24 C ATOM 573 CG LEU A 38 -2.648 -5.041 -2.098 1.00 13.21 C ATOM 574 CD1 LEU A 38 -2.960 -6.011 -0.954 1.00 41.02 C ATOM 575 CD2 LEU A 38 -2.396 -3.628 -1.560 1.00 52.22 C ATOM 0 H LEU A 38 -2.805 -3.803 -4.243 1.00 32.21 H new ATOM 0 HA LEU A 38 -0.599 -5.463 -4.923 1.00 11.45 H new ATOM 0 HB2 LEU A 38 -1.193 -6.544 -2.623 1.00 53.24 H new ATOM 0 HB3 LEU A 38 -0.576 -4.905 -2.683 1.00 53.24 H new ATOM 0 HG LEU A 38 -3.519 -5.012 -2.753 1.00 13.21 H new ATOM 0 HD11 LEU A 38 -3.814 -5.642 -0.387 1.00 41.02 H new ATOM 0 HD12 LEU A 38 -3.194 -6.994 -1.364 1.00 41.02 H new ATOM 0 HD13 LEU A 38 -2.094 -6.089 -0.296 1.00 41.02 H new ATOM 0 HD21 LEU A 38 -3.256 -3.302 -0.975 1.00 52.22 H new ATOM 0 HD22 LEU A 38 -1.508 -3.632 -0.928 1.00 52.22 H new ATOM 0 HD23 LEU A 38 -2.244 -2.943 -2.394 1.00 52.22 H new ATOM 587 N LYS A 39 -3.450 -6.800 -5.545 1.00 13.13 N ATOM 588 CA LYS A 39 -4.116 -8.011 -6.064 1.00 71.42 C ATOM 589 C LYS A 39 -3.448 -8.503 -7.375 1.00 34.24 C ATOM 590 O LYS A 39 -3.589 -9.676 -7.735 1.00 43.03 O ATOM 591 CB LYS A 39 -5.620 -7.745 -6.294 1.00 55.52 C ATOM 592 CG LYS A 39 -6.463 -9.013 -6.483 1.00 71.52 C ATOM 593 CD LYS A 39 -7.967 -8.748 -6.324 1.00 4.41 C ATOM 594 CE LYS A 39 -8.439 -8.851 -4.865 1.00 75.21 C ATOM 595 NZ LYS A 39 -9.344 -10.019 -4.641 1.00 20.43 N1+ ATOM 0 H LYS A 39 -3.985 -5.941 -5.669 1.00 13.13 H new ATOM 0 HA LYS A 39 -4.009 -8.797 -5.316 1.00 71.42 H new ATOM 0 HB2 LYS A 39 -6.012 -7.185 -5.445 1.00 55.52 H new ATOM 0 HB3 LYS A 39 -5.735 -7.112 -7.174 1.00 55.52 H new ATOM 0 HG2 LYS A 39 -6.273 -9.428 -7.473 1.00 71.52 H new ATOM 0 HG3 LYS A 39 -6.151 -9.764 -5.758 1.00 71.52 H new ATOM 0 HD2 LYS A 39 -8.199 -7.754 -6.707 1.00 4.41 H new ATOM 0 HD3 LYS A 39 -8.523 -9.461 -6.932 1.00 4.41 H new ATOM 0 HE2 LYS A 39 -7.572 -8.936 -4.210 1.00 75.21 H new ATOM 0 HE3 LYS A 39 -8.959 -7.934 -4.588 1.00 75.21 H new ATOM 0 HZ1 LYS A 39 -9.635 -10.046 -3.643 1.00 20.43 H new ATOM 0 HZ2 LYS A 39 -10.186 -9.927 -5.245 1.00 20.43 H new ATOM 0 HZ3 LYS A 39 -8.842 -10.898 -4.879 1.00 20.43 H new ATOM 609 N SER A 40 -2.717 -7.598 -8.074 1.00 63.41 N ATOM 610 CA SER A 40 -2.023 -7.926 -9.333 1.00 61.22 C ATOM 611 C SER A 40 -0.503 -8.153 -9.134 1.00 4.34 C ATOM 612 O SER A 40 0.146 -8.725 -10.015 1.00 12.23 O ATOM 613 CB SER A 40 -2.253 -6.807 -10.364 1.00 4.44 C ATOM 614 OG SER A 40 -1.766 -7.174 -11.648 1.00 61.24 O ATOM 0 H SER A 40 -2.596 -6.629 -7.779 1.00 63.41 H new ATOM 0 HA SER A 40 -2.444 -8.863 -9.697 1.00 61.22 H new ATOM 0 HB2 SER A 40 -3.318 -6.583 -10.428 1.00 4.44 H new ATOM 0 HB3 SER A 40 -1.755 -5.896 -10.031 1.00 4.44 H new ATOM 0 HG SER A 40 -1.024 -7.806 -11.548 1.00 61.24 H new ATOM 620 N VAL A 41 0.067 -7.699 -7.990 1.00 42.11 N ATOM 621 CA VAL A 41 1.519 -7.857 -7.714 1.00 11.44 C ATOM 622 C VAL A 41 1.895 -9.286 -7.250 1.00 3.20 C ATOM 623 O VAL A 41 3.065 -9.668 -7.351 1.00 10.11 O ATOM 624 CB VAL A 41 2.054 -6.808 -6.673 1.00 3.31 C ATOM 625 CG1 VAL A 41 1.662 -5.384 -7.074 1.00 54.34 C ATOM 626 CG2 VAL A 41 1.592 -7.112 -5.239 1.00 64.04 C ATOM 0 H VAL A 41 -0.450 -7.225 -7.250 1.00 42.11 H new ATOM 0 HA VAL A 41 2.005 -7.673 -8.672 1.00 11.44 H new ATOM 0 HB VAL A 41 3.141 -6.887 -6.684 1.00 3.31 H new ATOM 0 HG11 VAL A 41 2.045 -4.680 -6.336 1.00 54.34 H new ATOM 0 HG12 VAL A 41 2.085 -5.152 -8.051 1.00 54.34 H new ATOM 0 HG13 VAL A 41 0.576 -5.305 -7.121 1.00 54.34 H new ATOM 0 HG21 VAL A 41 1.990 -6.357 -4.561 1.00 64.04 H new ATOM 0 HG22 VAL A 41 0.503 -7.100 -5.197 1.00 64.04 H new ATOM 0 HG23 VAL A 41 1.955 -8.095 -4.940 1.00 64.04 H new ATOM 636 N GLY A 42 0.910 -10.059 -6.736 1.00 43.13 N ATOM 637 CA GLY A 42 1.166 -11.424 -6.265 1.00 34.53 C ATOM 638 C GLY A 42 0.637 -11.672 -4.858 1.00 61.14 C ATOM 639 O GLY A 42 1.405 -12.057 -3.970 1.00 14.22 O ATOM 0 H GLY A 42 -0.059 -9.756 -6.641 1.00 43.13 H new ATOM 0 HA2 GLY A 42 0.704 -12.133 -6.952 1.00 34.53 H new ATOM 0 HA3 GLY A 42 2.239 -11.615 -6.284 1.00 34.53 H new ATOM 643 N ALA A 43 -0.680 -11.458 -4.661 1.00 72.21 N ATOM 644 CA ALA A 43 -1.336 -11.665 -3.360 1.00 31.33 C ATOM 645 C ALA A 43 -2.480 -12.681 -3.491 1.00 11.21 C ATOM 646 O ALA A 43 -3.501 -12.389 -4.126 1.00 55.14 O ATOM 647 CB ALA A 43 -1.852 -10.336 -2.806 1.00 71.43 C ATOM 0 H ALA A 43 -1.312 -11.139 -5.395 1.00 72.21 H new ATOM 0 HA ALA A 43 -0.603 -12.066 -2.660 1.00 31.33 H new ATOM 0 HB1 ALA A 43 -2.335 -10.506 -1.844 1.00 71.43 H new ATOM 0 HB2 ALA A 43 -1.017 -9.647 -2.677 1.00 71.43 H new ATOM 0 HB3 ALA A 43 -2.572 -9.907 -3.502 1.00 71.43 H new ATOM 653 N GLN A 44 -2.301 -13.877 -2.893 1.00 51.10 N ATOM 654 CA GLN A 44 -3.314 -14.953 -2.943 1.00 3.33 C ATOM 655 C GLN A 44 -3.989 -15.167 -1.564 1.00 12.20 C ATOM 656 O GLN A 44 -4.467 -16.270 -1.267 1.00 14.10 O ATOM 657 CB GLN A 44 -2.664 -16.266 -3.443 1.00 12.04 C ATOM 658 CG GLN A 44 -2.104 -16.199 -4.870 1.00 75.52 C ATOM 659 CD GLN A 44 -3.183 -16.256 -5.950 1.00 73.50 C ATOM 660 OE1 GLN A 44 -3.565 -17.339 -6.397 1.00 21.42 O ATOM 661 NE2 GLN A 44 -3.682 -15.093 -6.380 1.00 30.44 N ATOM 0 H GLN A 44 -1.462 -14.123 -2.368 1.00 51.10 H new ATOM 0 HA GLN A 44 -4.094 -14.652 -3.642 1.00 3.33 H new ATOM 0 HB2 GLN A 44 -1.857 -16.538 -2.763 1.00 12.04 H new ATOM 0 HB3 GLN A 44 -3.405 -17.064 -3.395 1.00 12.04 H new ATOM 0 HG2 GLN A 44 -1.534 -15.277 -4.985 1.00 75.52 H new ATOM 0 HG3 GLN A 44 -1.408 -17.025 -5.018 1.00 75.52 H new ATOM 0 HE21 GLN A 44 -3.342 -14.215 -5.987 1.00 30.44 H new ATOM 0 HE22 GLN A 44 -4.403 -15.083 -7.101 1.00 30.44 H new ATOM 670 N LYS A 45 -4.040 -14.101 -0.731 1.00 51.30 N ATOM 671 CA LYS A 45 -4.664 -14.163 0.605 1.00 51.25 C ATOM 672 C LYS A 45 -6.113 -13.650 0.550 1.00 62.50 C ATOM 673 O LYS A 45 -6.461 -12.856 -0.333 1.00 60.01 O ATOM 674 CB LYS A 45 -3.848 -13.333 1.623 1.00 24.52 C ATOM 675 CG LYS A 45 -2.403 -13.818 1.844 1.00 2.51 C ATOM 676 CD LYS A 45 -2.269 -14.780 3.035 1.00 62.34 C ATOM 677 CE LYS A 45 -2.556 -16.234 2.655 1.00 15.25 C ATOM 678 NZ LYS A 45 -2.117 -17.192 3.712 1.00 63.54 N1+ ATOM 0 H LYS A 45 -3.654 -13.186 -0.965 1.00 51.30 H new ATOM 0 HA LYS A 45 -4.674 -15.204 0.928 1.00 51.25 H new ATOM 0 HB2 LYS A 45 -3.821 -12.297 1.286 1.00 24.52 H new ATOM 0 HB3 LYS A 45 -4.370 -13.343 2.580 1.00 24.52 H new ATOM 0 HG2 LYS A 45 -2.050 -14.315 0.941 1.00 2.51 H new ATOM 0 HG3 LYS A 45 -1.757 -12.955 2.006 1.00 2.51 H new ATOM 0 HD2 LYS A 45 -1.261 -14.708 3.443 1.00 62.34 H new ATOM 0 HD3 LYS A 45 -2.955 -14.473 3.824 1.00 62.34 H new ATOM 0 HE2 LYS A 45 -3.624 -16.357 2.477 1.00 15.25 H new ATOM 0 HE3 LYS A 45 -2.048 -16.470 1.720 1.00 15.25 H new ATOM 0 HZ1 LYS A 45 -2.332 -18.164 3.410 1.00 63.54 H new ATOM 0 HZ2 LYS A 45 -1.093 -17.095 3.865 1.00 63.54 H new ATOM 0 HZ3 LYS A 45 -2.620 -16.985 4.598 1.00 63.54 H new ATOM 692 N ASP A 46 -6.952 -14.103 1.502 1.00 40.43 N ATOM 693 CA ASP A 46 -8.370 -13.689 1.571 1.00 42.02 C ATOM 694 C ASP A 46 -8.510 -12.294 2.215 1.00 50.44 C ATOM 695 O ASP A 46 -9.207 -11.430 1.672 1.00 52.22 O ATOM 696 CB ASP A 46 -9.204 -14.735 2.347 1.00 54.31 C ATOM 697 CG ASP A 46 -10.685 -14.695 1.994 1.00 30.50 C ATOM 698 OD1 ASP A 46 -11.084 -15.374 1.024 1.00 2.12 O1- ATOM 699 OD2 ASP A 46 -11.442 -13.985 2.688 1.00 44.13 O ATOM 0 H ASP A 46 -6.674 -14.756 2.235 1.00 40.43 H new ATOM 0 HA ASP A 46 -8.754 -13.628 0.553 1.00 42.02 H new ATOM 0 HB2 ASP A 46 -8.813 -15.731 2.138 1.00 54.31 H new ATOM 0 HB3 ASP A 46 -9.086 -14.564 3.417 1.00 54.31 H new ATOM 704 N THR A 47 -7.839 -12.086 3.369 1.00 60.42 N ATOM 705 CA THR A 47 -7.875 -10.800 4.090 1.00 23.30 C ATOM 706 C THR A 47 -6.454 -10.334 4.441 1.00 62.22 C ATOM 707 O THR A 47 -5.636 -11.129 4.920 1.00 22.11 O ATOM 708 CB THR A 47 -8.728 -10.915 5.373 1.00 51.35 C ATOM 709 OG1 THR A 47 -8.386 -12.081 6.111 1.00 14.44 O ATOM 710 CG2 THR A 47 -10.223 -10.960 5.109 1.00 44.43 C ATOM 0 H THR A 47 -7.264 -12.797 3.821 1.00 60.42 H new ATOM 0 HA THR A 47 -8.332 -10.060 3.434 1.00 23.30 H new ATOM 0 HB THR A 47 -8.504 -10.011 5.939 1.00 51.35 H new ATOM 0 HG1 THR A 47 -7.426 -12.254 6.022 1.00 14.44 H new ATOM 0 HG21 THR A 47 -10.757 -11.041 6.056 1.00 44.43 H new ATOM 0 HG22 THR A 47 -10.530 -10.048 4.596 1.00 44.43 H new ATOM 0 HG23 THR A 47 -10.457 -11.823 4.486 1.00 44.43 H new ATOM 718 N TYR A 48 -6.173 -9.039 4.201 1.00 2.40 N ATOM 719 CA TYR A 48 -4.856 -8.437 4.486 1.00 20.44 C ATOM 720 C TYR A 48 -4.926 -7.564 5.754 1.00 61.12 C ATOM 721 O TYR A 48 -6.013 -7.345 6.298 1.00 45.10 O ATOM 722 CB TYR A 48 -4.362 -7.587 3.285 1.00 62.33 C ATOM 723 CG TYR A 48 -4.743 -8.120 1.903 1.00 74.41 C ATOM 724 CD1 TYR A 48 -4.151 -9.273 1.386 1.00 24.01 C ATOM 725 CD2 TYR A 48 -5.689 -7.464 1.112 1.00 21.43 C ATOM 726 CE1 TYR A 48 -4.488 -9.750 0.134 1.00 3.33 C ATOM 727 CE2 TYR A 48 -6.028 -7.939 -0.139 1.00 20.31 C ATOM 728 CZ TYR A 48 -5.426 -9.081 -0.625 1.00 33.30 C ATOM 729 OH TYR A 48 -5.764 -9.556 -1.874 1.00 64.23 O ATOM 0 H TYR A 48 -6.848 -8.384 3.806 1.00 2.40 H new ATOM 0 HA TYR A 48 -4.146 -9.247 4.651 1.00 20.44 H new ATOM 0 HB2 TYR A 48 -4.759 -6.577 3.388 1.00 62.33 H new ATOM 0 HB3 TYR A 48 -3.276 -7.509 3.339 1.00 62.33 H new ATOM 0 HD1 TYR A 48 -3.416 -9.802 1.975 1.00 24.01 H new ATOM 0 HD2 TYR A 48 -6.164 -6.569 1.486 1.00 21.43 H new ATOM 0 HE1 TYR A 48 -4.019 -10.644 -0.249 1.00 3.33 H new ATOM 0 HE2 TYR A 48 -6.762 -7.418 -0.735 1.00 20.31 H new ATOM 0 HH TYR A 48 -6.439 -8.970 -2.275 1.00 64.23 H new ATOM 739 N THR A 49 -3.762 -7.056 6.209 1.00 11.33 N ATOM 740 CA THR A 49 -3.680 -6.183 7.399 1.00 32.11 C ATOM 741 C THR A 49 -3.152 -4.795 6.998 1.00 33.31 C ATOM 742 O THR A 49 -2.526 -4.653 5.947 1.00 1.31 O ATOM 743 CB THR A 49 -2.775 -6.813 8.487 1.00 23.30 C ATOM 744 OG1 THR A 49 -1.494 -7.155 7.966 1.00 5.25 O ATOM 745 CG2 THR A 49 -3.370 -8.061 9.129 1.00 71.50 C ATOM 0 H THR A 49 -2.861 -7.237 5.767 1.00 11.33 H new ATOM 0 HA THR A 49 -4.681 -6.074 7.816 1.00 32.11 H new ATOM 0 HB THR A 49 -2.686 -6.042 9.252 1.00 23.30 H new ATOM 0 HG1 THR A 49 -1.404 -8.130 7.932 1.00 5.25 H new ATOM 0 HG21 THR A 49 -2.681 -8.447 9.881 1.00 71.50 H new ATOM 0 HG22 THR A 49 -4.319 -7.810 9.602 1.00 71.50 H new ATOM 0 HG23 THR A 49 -3.535 -8.820 8.364 1.00 71.50 H new ATOM 753 N MET A 50 -3.411 -3.770 7.838 1.00 20.31 N ATOM 754 CA MET A 50 -2.961 -2.381 7.561 1.00 32.32 C ATOM 755 C MET A 50 -1.416 -2.252 7.526 1.00 1.45 C ATOM 756 O MET A 50 -0.891 -1.340 6.880 1.00 71.02 O ATOM 757 CB MET A 50 -3.562 -1.396 8.595 1.00 4.43 C ATOM 758 CG MET A 50 -3.626 0.066 8.129 1.00 33.35 C ATOM 759 SD MET A 50 -4.953 0.393 6.939 1.00 20.41 S ATOM 760 CE MET A 50 -4.293 1.805 6.053 1.00 22.34 C ATOM 0 H MET A 50 -3.927 -3.873 8.712 1.00 20.31 H new ATOM 0 HA MET A 50 -3.326 -2.123 6.567 1.00 32.32 H new ATOM 0 HB2 MET A 50 -4.569 -1.727 8.848 1.00 4.43 H new ATOM 0 HB3 MET A 50 -2.971 -1.446 9.510 1.00 4.43 H new ATOM 0 HG2 MET A 50 -3.762 0.710 8.998 1.00 33.35 H new ATOM 0 HG3 MET A 50 -2.671 0.337 7.679 1.00 33.35 H new ATOM 0 HE1 MET A 50 -4.978 2.085 5.253 1.00 22.34 H new ATOM 0 HE2 MET A 50 -4.176 2.643 6.740 1.00 22.34 H new ATOM 0 HE3 MET A 50 -3.323 1.547 5.627 1.00 22.34 H new ATOM 770 N LYS A 51 -0.700 -3.170 8.211 1.00 12.25 N ATOM 771 CA LYS A 51 0.777 -3.167 8.250 1.00 1.13 C ATOM 772 C LYS A 51 1.382 -3.912 7.037 1.00 54.04 C ATOM 773 O LYS A 51 2.424 -3.500 6.519 1.00 63.21 O ATOM 774 CB LYS A 51 1.268 -3.804 9.571 1.00 63.41 C ATOM 775 CG LYS A 51 2.752 -3.553 9.901 1.00 74.34 C ATOM 776 CD LYS A 51 3.573 -4.849 9.989 1.00 51.30 C ATOM 777 CE LYS A 51 3.481 -5.525 11.363 1.00 34.31 C ATOM 778 NZ LYS A 51 2.169 -6.206 11.592 1.00 20.25 N1+ ATOM 0 H LYS A 51 -1.125 -3.926 8.747 1.00 12.25 H new ATOM 0 HA LYS A 51 1.114 -2.131 8.200 1.00 1.13 H new ATOM 0 HB2 LYS A 51 0.659 -3.421 10.390 1.00 63.41 H new ATOM 0 HB3 LYS A 51 1.098 -4.880 9.523 1.00 63.41 H new ATOM 0 HG2 LYS A 51 3.184 -2.906 9.138 1.00 74.34 H new ATOM 0 HG3 LYS A 51 2.823 -3.019 10.849 1.00 74.34 H new ATOM 0 HD2 LYS A 51 3.227 -5.544 9.224 1.00 51.30 H new ATOM 0 HD3 LYS A 51 4.617 -4.627 9.769 1.00 51.30 H new ATOM 0 HE2 LYS A 51 4.285 -6.255 11.457 1.00 34.31 H new ATOM 0 HE3 LYS A 51 3.637 -4.778 12.141 1.00 34.31 H new ATOM 0 HZ1 LYS A 51 2.213 -6.756 12.473 1.00 20.25 H new ATOM 0 HZ2 LYS A 51 1.416 -5.493 11.666 1.00 20.25 H new ATOM 0 HZ3 LYS A 51 1.965 -6.843 10.796 1.00 20.25 H new ATOM 792 N GLU A 52 0.728 -5.013 6.597 1.00 44.44 N ATOM 793 CA GLU A 52 1.207 -5.821 5.449 1.00 51.25 C ATOM 794 C GLU A 52 0.733 -5.259 4.093 1.00 61.34 C ATOM 795 O GLU A 52 1.417 -5.449 3.083 1.00 41.32 O ATOM 796 CB GLU A 52 0.740 -7.285 5.578 1.00 53.30 C ATOM 797 CG GLU A 52 1.395 -8.055 6.724 1.00 62.12 C ATOM 798 CD GLU A 52 0.963 -9.513 6.777 1.00 51.00 C ATOM 799 OE1 GLU A 52 -0.062 -9.805 7.428 1.00 12.42 O ATOM 800 OE2 GLU A 52 1.651 -10.360 6.167 1.00 25.55 O1- ATOM 0 H GLU A 52 -0.132 -5.362 7.019 1.00 44.44 H new ATOM 0 HA GLU A 52 2.296 -5.774 5.474 1.00 51.25 H new ATOM 0 HB2 GLU A 52 -0.341 -7.298 5.718 1.00 53.30 H new ATOM 0 HB3 GLU A 52 0.947 -7.804 4.642 1.00 53.30 H new ATOM 0 HG2 GLU A 52 2.479 -8.005 6.616 1.00 62.12 H new ATOM 0 HG3 GLU A 52 1.146 -7.572 7.669 1.00 62.12 H new ATOM 807 N VAL A 53 -0.438 -4.583 4.070 1.00 2.24 N ATOM 808 CA VAL A 53 -1.006 -4.009 2.826 1.00 13.03 C ATOM 809 C VAL A 53 -0.053 -2.986 2.155 1.00 61.32 C ATOM 810 O VAL A 53 -0.008 -2.907 0.925 1.00 41.45 O ATOM 811 CB VAL A 53 -2.420 -3.373 3.079 1.00 11.21 C ATOM 812 CG1 VAL A 53 -2.339 -2.069 3.884 1.00 33.35 C ATOM 813 CG2 VAL A 53 -3.185 -3.162 1.770 1.00 52.22 C ATOM 0 H VAL A 53 -1.010 -4.421 4.899 1.00 2.24 H new ATOM 0 HA VAL A 53 -1.125 -4.840 2.131 1.00 13.03 H new ATOM 0 HB VAL A 53 -2.977 -4.089 3.683 1.00 11.21 H new ATOM 0 HG11 VAL A 53 -3.342 -1.670 4.032 1.00 33.35 H new ATOM 0 HG12 VAL A 53 -1.881 -2.267 4.853 1.00 33.35 H new ATOM 0 HG13 VAL A 53 -1.736 -1.342 3.340 1.00 33.35 H new ATOM 0 HG21 VAL A 53 -4.158 -2.721 1.984 1.00 52.22 H new ATOM 0 HG22 VAL A 53 -2.619 -2.494 1.121 1.00 52.22 H new ATOM 0 HG23 VAL A 53 -3.324 -4.121 1.271 1.00 52.22 H new ATOM 823 N LEU A 54 0.713 -2.222 2.966 1.00 55.34 N ATOM 824 CA LEU A 54 1.668 -1.228 2.436 1.00 43.40 C ATOM 825 C LEU A 54 2.967 -1.908 1.946 1.00 5.34 C ATOM 826 O LEU A 54 3.609 -1.407 1.018 1.00 74.44 O ATOM 827 CB LEU A 54 1.980 -0.142 3.496 1.00 55.11 C ATOM 828 CG LEU A 54 2.803 1.078 3.002 1.00 72.01 C ATOM 829 CD1 LEU A 54 1.998 1.943 2.028 1.00 2.31 C ATOM 830 CD2 LEU A 54 3.298 1.918 4.184 1.00 3.32 C ATOM 0 H LEU A 54 0.688 -2.276 3.984 1.00 55.34 H new ATOM 0 HA LEU A 54 1.202 -0.742 1.579 1.00 43.40 H new ATOM 0 HB2 LEU A 54 1.036 0.222 3.902 1.00 55.11 H new ATOM 0 HB3 LEU A 54 2.521 -0.610 4.318 1.00 55.11 H new ATOM 0 HG LEU A 54 3.669 0.691 2.466 1.00 72.01 H new ATOM 0 HD11 LEU A 54 2.606 2.787 1.703 1.00 2.31 H new ATOM 0 HD12 LEU A 54 1.713 1.346 1.161 1.00 2.31 H new ATOM 0 HD13 LEU A 54 1.101 2.312 2.525 1.00 2.31 H new ATOM 0 HD21 LEU A 54 3.872 2.767 3.812 1.00 3.32 H new ATOM 0 HD22 LEU A 54 2.444 2.280 4.756 1.00 3.32 H new ATOM 0 HD23 LEU A 54 3.931 1.305 4.826 1.00 3.32 H new ATOM 842 N PHE A 55 3.343 -3.055 2.567 1.00 24.10 N ATOM 843 CA PHE A 55 4.560 -3.809 2.180 1.00 71.40 C ATOM 844 C PHE A 55 4.474 -4.327 0.723 1.00 72.51 C ATOM 845 O PHE A 55 5.483 -4.325 0.010 1.00 33.51 O ATOM 846 CB PHE A 55 4.803 -4.986 3.156 1.00 0.22 C ATOM 847 CG PHE A 55 6.137 -5.695 2.967 1.00 50.11 C ATOM 848 CD1 PHE A 55 7.291 -5.229 3.589 1.00 70.53 C ATOM 849 CD2 PHE A 55 6.233 -6.828 2.163 1.00 62.44 C ATOM 850 CE1 PHE A 55 8.501 -5.874 3.417 1.00 62.20 C ATOM 851 CE2 PHE A 55 7.443 -7.473 1.989 1.00 60.01 C ATOM 852 CZ PHE A 55 8.577 -6.996 2.616 1.00 11.50 C ATOM 0 H PHE A 55 2.821 -3.476 3.336 1.00 24.10 H new ATOM 0 HA PHE A 55 5.404 -3.121 2.238 1.00 71.40 H new ATOM 0 HB2 PHE A 55 4.746 -4.612 4.178 1.00 0.22 H new ATOM 0 HB3 PHE A 55 3.999 -5.713 3.037 1.00 0.22 H new ATOM 0 HD1 PHE A 55 7.240 -4.351 4.215 1.00 70.53 H new ATOM 0 HD2 PHE A 55 5.351 -7.208 1.669 1.00 62.44 H new ATOM 0 HE1 PHE A 55 9.387 -5.501 3.909 1.00 62.20 H new ATOM 0 HE2 PHE A 55 7.502 -8.351 1.362 1.00 60.01 H new ATOM 0 HZ PHE A 55 9.522 -7.500 2.480 1.00 11.50 H new ATOM 862 N TYR A 56 3.268 -4.762 0.291 1.00 30.04 N ATOM 863 CA TYR A 56 3.050 -5.274 -1.083 1.00 63.22 C ATOM 864 C TYR A 56 3.095 -4.140 -2.127 1.00 23.10 C ATOM 865 O TYR A 56 3.530 -4.361 -3.261 1.00 34.14 O ATOM 866 CB TYR A 56 1.706 -6.032 -1.187 1.00 1.22 C ATOM 867 CG TYR A 56 1.614 -7.269 -0.298 1.00 70.01 C ATOM 868 CD1 TYR A 56 2.466 -8.357 -0.488 1.00 71.20 C ATOM 869 CD2 TYR A 56 0.682 -7.345 0.736 1.00 65.22 C ATOM 870 CE1 TYR A 56 2.390 -9.473 0.320 1.00 22.32 C ATOM 871 CE2 TYR A 56 0.606 -8.459 1.549 1.00 24.51 C ATOM 872 CZ TYR A 56 1.461 -9.519 1.336 1.00 32.22 C ATOM 873 OH TYR A 56 1.389 -10.628 2.148 1.00 52.31 O ATOM 0 H TYR A 56 2.431 -4.769 0.874 1.00 30.04 H new ATOM 0 HA TYR A 56 3.863 -5.967 -1.297 1.00 63.22 H new ATOM 0 HB2 TYR A 56 0.896 -5.350 -0.926 1.00 1.22 H new ATOM 0 HB3 TYR A 56 1.550 -6.331 -2.223 1.00 1.22 H new ATOM 0 HD1 TYR A 56 3.198 -8.325 -1.281 1.00 71.20 H new ATOM 0 HD2 TYR A 56 0.008 -6.518 0.904 1.00 65.22 H new ATOM 0 HE1 TYR A 56 3.056 -10.307 0.156 1.00 22.32 H new ATOM 0 HE2 TYR A 56 -0.120 -8.499 2.348 1.00 24.51 H new ATOM 0 HH TYR A 56 0.682 -10.500 2.815 1.00 52.31 H new ATOM 883 N LEU A 57 2.656 -2.925 -1.731 1.00 24.21 N ATOM 884 CA LEU A 57 2.658 -1.749 -2.626 1.00 74.44 C ATOM 885 C LEU A 57 4.101 -1.260 -2.894 1.00 65.10 C ATOM 886 O LEU A 57 4.410 -0.812 -4.003 1.00 71.42 O ATOM 887 CB LEU A 57 1.795 -0.607 -2.023 1.00 3.32 C ATOM 888 CG LEU A 57 0.908 0.186 -3.015 1.00 24.04 C ATOM 889 CD1 LEU A 57 -0.173 0.978 -2.270 1.00 10.41 C ATOM 890 CD2 LEU A 57 1.751 1.121 -3.890 1.00 4.11 C ATOM 0 H LEU A 57 2.296 -2.734 -0.796 1.00 24.21 H new ATOM 0 HA LEU A 57 2.221 -2.046 -3.580 1.00 74.44 H new ATOM 0 HB2 LEU A 57 1.150 -1.035 -1.256 1.00 3.32 H new ATOM 0 HB3 LEU A 57 2.461 0.096 -1.523 1.00 3.32 H new ATOM 0 HG LEU A 57 0.418 -0.536 -3.668 1.00 24.04 H new ATOM 0 HD11 LEU A 57 -0.782 1.526 -2.988 1.00 10.41 H new ATOM 0 HD12 LEU A 57 -0.805 0.291 -1.708 1.00 10.41 H new ATOM 0 HD13 LEU A 57 0.299 1.681 -1.584 1.00 10.41 H new ATOM 0 HD21 LEU A 57 1.100 1.663 -4.575 1.00 4.11 H new ATOM 0 HD22 LEU A 57 2.283 1.831 -3.257 1.00 4.11 H new ATOM 0 HD23 LEU A 57 2.471 0.534 -4.461 1.00 4.11 H new ATOM 902 N GLY A 58 4.977 -1.362 -1.869 1.00 75.13 N ATOM 903 CA GLY A 58 6.377 -0.944 -1.996 1.00 51.32 C ATOM 904 C GLY A 58 7.209 -1.846 -2.916 1.00 65.20 C ATOM 905 O GLY A 58 8.142 -1.363 -3.566 1.00 45.54 O ATOM 0 H GLY A 58 4.732 -1.730 -0.950 1.00 75.13 H new ATOM 0 HA2 GLY A 58 6.409 0.077 -2.377 1.00 51.32 H new ATOM 0 HA3 GLY A 58 6.834 -0.929 -1.006 1.00 51.32 H new ATOM 909 N GLN A 59 6.873 -3.155 -2.968 1.00 5.35 N ATOM 910 CA GLN A 59 7.597 -4.133 -3.816 1.00 44.21 C ATOM 911 C GLN A 59 7.365 -3.885 -5.323 1.00 12.43 C ATOM 912 O GLN A 59 8.255 -4.156 -6.134 1.00 61.51 O ATOM 913 CB GLN A 59 7.190 -5.576 -3.450 1.00 13.23 C ATOM 914 CG GLN A 59 7.781 -6.068 -2.131 1.00 75.34 C ATOM 915 CD GLN A 59 7.398 -7.508 -1.811 1.00 71.11 C ATOM 916 OE1 GLN A 59 6.307 -7.767 -1.306 1.00 12.43 O ATOM 917 NE2 GLN A 59 8.292 -8.457 -2.103 1.00 64.12 N ATOM 0 H GLN A 59 6.105 -3.560 -2.433 1.00 5.35 H new ATOM 0 HA GLN A 59 8.661 -3.997 -3.620 1.00 44.21 H new ATOM 0 HB2 GLN A 59 6.103 -5.634 -3.394 1.00 13.23 H new ATOM 0 HB3 GLN A 59 7.504 -6.246 -4.250 1.00 13.23 H new ATOM 0 HG2 GLN A 59 8.867 -5.987 -2.172 1.00 75.34 H new ATOM 0 HG3 GLN A 59 7.443 -5.419 -1.323 1.00 75.34 H new ATOM 0 HE21 GLN A 59 9.187 -8.203 -2.522 1.00 64.12 H new ATOM 0 HE22 GLN A 59 8.080 -9.435 -1.907 1.00 64.12 H new ATOM 926 N TYR A 60 6.170 -3.367 -5.690 1.00 43.24 N ATOM 927 CA TYR A 60 5.828 -3.078 -7.100 1.00 43.41 C ATOM 928 C TYR A 60 6.621 -1.868 -7.637 1.00 34.43 C ATOM 929 O TYR A 60 7.117 -1.908 -8.769 1.00 41.31 O ATOM 930 CB TYR A 60 4.308 -2.842 -7.243 1.00 73.34 C ATOM 931 CG TYR A 60 3.806 -2.737 -8.684 1.00 24.31 C ATOM 932 CD1 TYR A 60 3.917 -3.810 -9.569 1.00 55.53 C ATOM 933 CD2 TYR A 60 3.221 -1.563 -9.156 1.00 71.41 C ATOM 934 CE1 TYR A 60 3.463 -3.713 -10.869 1.00 14.04 C ATOM 935 CE2 TYR A 60 2.764 -1.463 -10.456 1.00 14.23 C ATOM 936 CZ TYR A 60 2.889 -2.540 -11.309 1.00 3.33 C ATOM 937 OH TYR A 60 2.434 -2.443 -12.606 1.00 52.54 O ATOM 0 H TYR A 60 5.427 -3.141 -5.028 1.00 43.24 H new ATOM 0 HA TYR A 60 6.107 -3.945 -7.699 1.00 43.41 H new ATOM 0 HB2 TYR A 60 3.780 -3.657 -6.748 1.00 73.34 H new ATOM 0 HB3 TYR A 60 4.046 -1.925 -6.715 1.00 73.34 H new ATOM 0 HD1 TYR A 60 4.366 -4.732 -9.231 1.00 55.53 H new ATOM 0 HD2 TYR A 60 3.123 -0.716 -8.493 1.00 71.41 H new ATOM 0 HE1 TYR A 60 3.557 -4.554 -11.540 1.00 14.04 H new ATOM 0 HE2 TYR A 60 2.311 -0.546 -10.803 1.00 14.23 H new ATOM 0 HH TYR A 60 2.056 -1.551 -12.754 1.00 52.54 H new ATOM 947 N ILE A 61 6.748 -0.804 -6.818 1.00 52.33 N ATOM 948 CA ILE A 61 7.499 0.409 -7.212 1.00 61.12 C ATOM 949 C ILE A 61 9.036 0.189 -7.156 1.00 3.12 C ATOM 950 O ILE A 61 9.790 0.965 -7.751 1.00 41.15 O ATOM 951 CB ILE A 61 7.095 1.664 -6.357 1.00 33.23 C ATOM 952 CG1 ILE A 61 7.352 1.452 -4.839 1.00 74.22 C ATOM 953 CG2 ILE A 61 5.622 2.030 -6.607 1.00 11.22 C ATOM 954 CD1 ILE A 61 7.430 2.742 -4.036 1.00 24.43 C ATOM 0 H ILE A 61 6.343 -0.758 -5.883 1.00 52.33 H new ATOM 0 HA ILE A 61 7.224 0.608 -8.248 1.00 61.12 H new ATOM 0 HB ILE A 61 7.729 2.490 -6.677 1.00 33.23 H new ATOM 0 HG12 ILE A 61 6.556 0.830 -4.430 1.00 74.22 H new ATOM 0 HG13 ILE A 61 8.284 0.901 -4.713 1.00 74.22 H new ATOM 0 HG21 ILE A 61 5.357 2.901 -6.008 1.00 11.22 H new ATOM 0 HG22 ILE A 61 5.478 2.258 -7.663 1.00 11.22 H new ATOM 0 HG23 ILE A 61 4.986 1.190 -6.327 1.00 11.22 H new ATOM 0 HD11 ILE A 61 7.611 2.507 -2.987 1.00 24.43 H new ATOM 0 HD12 ILE A 61 8.245 3.358 -4.416 1.00 24.43 H new ATOM 0 HD13 ILE A 61 6.490 3.286 -4.129 1.00 24.43 H new ATOM 966 N MET A 62 9.488 -0.875 -6.446 1.00 22.31 N ATOM 967 CA MET A 62 10.922 -1.205 -6.316 1.00 32.14 C ATOM 968 C MET A 62 11.406 -2.097 -7.483 1.00 41.55 C ATOM 969 O MET A 62 12.498 -1.874 -8.015 1.00 12.11 O ATOM 970 CB MET A 62 11.181 -1.897 -4.955 1.00 32.04 C ATOM 971 CG MET A 62 12.627 -2.367 -4.726 1.00 15.21 C ATOM 972 SD MET A 62 12.968 -2.811 -3.004 1.00 20.33 S ATOM 973 CE MET A 62 12.089 -4.367 -2.862 1.00 3.20 C ATOM 0 H MET A 62 8.871 -1.521 -5.953 1.00 22.31 H new ATOM 0 HA MET A 62 11.491 -0.276 -6.358 1.00 32.14 H new ATOM 0 HB2 MET A 62 10.909 -1.206 -4.157 1.00 32.04 H new ATOM 0 HB3 MET A 62 10.518 -2.758 -4.871 1.00 32.04 H new ATOM 0 HG2 MET A 62 12.827 -3.228 -5.363 1.00 15.21 H new ATOM 0 HG3 MET A 62 13.312 -1.577 -5.033 1.00 15.21 H new ATOM 0 HE1 MET A 62 12.209 -4.762 -1.853 1.00 3.20 H new ATOM 0 HE2 MET A 62 11.030 -4.207 -3.066 1.00 3.20 H new ATOM 0 HE3 MET A 62 12.493 -5.080 -3.581 1.00 3.20 H new ATOM 983 N THR A 63 10.600 -3.115 -7.864 1.00 52.42 N ATOM 984 CA THR A 63 10.967 -4.048 -8.960 1.00 2.35 C ATOM 985 C THR A 63 10.981 -3.367 -10.351 1.00 21.11 C ATOM 986 O THR A 63 11.731 -3.797 -11.232 1.00 30.12 O ATOM 987 CB THR A 63 10.042 -5.292 -8.966 1.00 52.41 C ATOM 988 OG1 THR A 63 10.513 -6.266 -9.886 1.00 52.54 O ATOM 989 CG2 THR A 63 8.586 -5.009 -9.316 1.00 25.34 C ATOM 0 H THR A 63 9.697 -3.312 -7.433 1.00 52.42 H new ATOM 0 HA THR A 63 11.988 -4.373 -8.759 1.00 2.35 H new ATOM 0 HB THR A 63 10.074 -5.648 -7.936 1.00 52.41 H new ATOM 0 HG1 THR A 63 9.916 -7.043 -9.873 1.00 52.54 H new ATOM 0 HG21 THR A 63 8.019 -5.940 -9.294 1.00 25.34 H new ATOM 0 HG22 THR A 63 8.166 -4.311 -8.591 1.00 25.34 H new ATOM 0 HG23 THR A 63 8.530 -4.573 -10.313 1.00 25.34 H new ATOM 997 N LYS A 64 10.157 -2.312 -10.542 1.00 4.42 N ATOM 998 CA LYS A 64 10.092 -1.584 -11.831 1.00 73.13 C ATOM 999 C LYS A 64 11.124 -0.430 -11.916 1.00 52.32 C ATOM 1000 O LYS A 64 11.229 0.214 -12.966 1.00 2.20 O ATOM 1001 CB LYS A 64 8.671 -1.029 -12.071 1.00 23.32 C ATOM 1002 CG LYS A 64 7.568 -2.095 -12.183 1.00 15.24 C ATOM 1003 CD LYS A 64 7.621 -2.882 -13.502 1.00 10.40 C ATOM 1004 CE LYS A 64 7.022 -2.108 -14.682 1.00 1.42 C ATOM 1005 NZ LYS A 64 5.529 -2.105 -14.661 1.00 42.33 N1+ ATOM 0 H LYS A 64 9.531 -1.947 -9.825 1.00 4.42 H new ATOM 0 HA LYS A 64 10.340 -2.306 -12.609 1.00 73.13 H new ATOM 0 HB2 LYS A 64 8.419 -0.351 -11.255 1.00 23.32 H new ATOM 0 HB3 LYS A 64 8.678 -0.437 -12.986 1.00 23.32 H new ATOM 0 HG2 LYS A 64 7.657 -2.790 -11.348 1.00 15.24 H new ATOM 0 HG3 LYS A 64 6.595 -1.613 -12.094 1.00 15.24 H new ATOM 0 HD2 LYS A 64 8.657 -3.134 -13.728 1.00 10.40 H new ATOM 0 HD3 LYS A 64 7.083 -3.822 -13.380 1.00 10.40 H new ATOM 0 HE2 LYS A 64 7.385 -1.080 -14.661 1.00 1.42 H new ATOM 0 HE3 LYS A 64 7.369 -2.550 -15.616 1.00 1.42 H new ATOM 0 HZ1 LYS A 64 5.171 -1.570 -15.478 1.00 42.33 H new ATOM 0 HZ2 LYS A 64 5.179 -3.083 -14.708 1.00 42.33 H new ATOM 0 HZ3 LYS A 64 5.195 -1.660 -13.782 1.00 42.33 H new ATOM 1019 N ARG A 65 11.881 -0.171 -10.816 1.00 32.40 N ATOM 1020 CA ARG A 65 12.905 0.897 -10.757 1.00 11.33 C ATOM 1021 C ARG A 65 12.284 2.301 -10.928 1.00 24.23 C ATOM 1022 O ARG A 65 12.382 2.915 -11.999 1.00 62.31 O ATOM 1023 CB ARG A 65 14.040 0.667 -11.791 1.00 11.30 C ATOM 1024 CG ARG A 65 14.897 -0.582 -11.539 1.00 21.31 C ATOM 1025 CD ARG A 65 14.297 -1.858 -12.144 1.00 51.45 C ATOM 1026 NE ARG A 65 15.334 -2.788 -12.621 1.00 44.24 N ATOM 1027 CZ ARG A 65 16.006 -2.682 -13.793 1.00 1.42 C ATOM 1028 NH1 ARG A 65 15.790 -1.663 -14.642 1.00 73.10 N1+ ATOM 1029 NH2 ARG A 65 16.914 -3.607 -14.109 1.00 11.45 N ATOM 0 H ARG A 65 11.795 -0.699 -9.948 1.00 32.40 H new ATOM 0 HA ARG A 65 13.347 0.849 -9.762 1.00 11.33 H new ATOM 0 HB2 ARG A 65 13.598 0.593 -12.784 1.00 11.30 H new ATOM 0 HB3 ARG A 65 14.690 1.542 -11.796 1.00 11.30 H new ATOM 0 HG2 ARG A 65 15.891 -0.423 -11.956 1.00 21.31 H new ATOM 0 HG3 ARG A 65 15.020 -0.720 -10.465 1.00 21.31 H new ATOM 0 HD2 ARG A 65 13.680 -2.357 -11.397 1.00 51.45 H new ATOM 0 HD3 ARG A 65 13.641 -1.592 -12.973 1.00 51.45 H new ATOM 0 HE ARG A 65 15.566 -3.578 -12.019 1.00 44.24 H new ATOM 0 HH11 ARG A 65 15.105 -0.943 -14.411 1.00 73.10 H new ATOM 0 HH12 ARG A 65 16.311 -1.609 -15.517 1.00 73.10 H new ATOM 0 HH21 ARG A 65 17.095 -4.382 -13.471 1.00 11.45 H new ATOM 0 HH22 ARG A 65 17.427 -3.539 -14.988 1.00 11.45 H new ATOM 1043 N LEU A 66 11.655 2.806 -9.848 1.00 31.44 N ATOM 1044 CA LEU A 66 11.026 4.138 -9.843 1.00 52.44 C ATOM 1045 C LEU A 66 11.796 5.084 -8.909 1.00 31.41 C ATOM 1046 O LEU A 66 12.161 6.192 -9.315 1.00 54.44 O ATOM 1047 CB LEU A 66 9.538 4.048 -9.432 1.00 3.31 C ATOM 1048 CG LEU A 66 8.646 3.103 -10.281 1.00 20.14 C ATOM 1049 CD1 LEU A 66 7.198 3.126 -9.784 1.00 73.51 C ATOM 1050 CD2 LEU A 66 8.698 3.454 -11.776 1.00 24.44 C ATOM 0 H LEU A 66 11.570 2.306 -8.963 1.00 31.44 H new ATOM 0 HA LEU A 66 11.066 4.541 -10.855 1.00 52.44 H new ATOM 0 HB2 LEU A 66 9.489 3.723 -8.393 1.00 3.31 H new ATOM 0 HB3 LEU A 66 9.111 5.050 -9.473 1.00 3.31 H new ATOM 0 HG LEU A 66 9.045 2.096 -10.161 1.00 20.14 H new ATOM 0 HD11 LEU A 66 6.593 2.456 -10.395 1.00 73.51 H new ATOM 0 HD12 LEU A 66 7.165 2.799 -8.745 1.00 73.51 H new ATOM 0 HD13 LEU A 66 6.804 4.140 -9.858 1.00 73.51 H new ATOM 0 HD21 LEU A 66 8.060 2.768 -12.333 1.00 24.44 H new ATOM 0 HD22 LEU A 66 8.348 4.476 -11.922 1.00 24.44 H new ATOM 0 HD23 LEU A 66 9.724 3.367 -12.135 1.00 24.44 H new ATOM 1062 N TYR A 67 12.068 4.631 -7.663 1.00 13.21 N ATOM 1063 CA TYR A 67 12.825 5.432 -6.691 1.00 3.42 C ATOM 1064 C TYR A 67 14.343 5.264 -6.945 1.00 75.10 C ATOM 1065 O TYR A 67 14.993 4.369 -6.398 1.00 23.34 O ATOM 1066 CB TYR A 67 12.393 5.101 -5.226 1.00 25.42 C ATOM 1067 CG TYR A 67 12.975 3.838 -4.585 1.00 42.31 C ATOM 1068 CD1 TYR A 67 12.548 2.566 -4.961 1.00 41.01 C ATOM 1069 CD2 TYR A 67 13.948 3.930 -3.588 1.00 73.31 C ATOM 1070 CE1 TYR A 67 13.071 1.435 -4.366 1.00 73.43 C ATOM 1071 CE2 TYR A 67 14.473 2.801 -2.995 1.00 11.21 C ATOM 1072 CZ TYR A 67 14.032 1.557 -3.386 1.00 51.25 C ATOM 1073 OH TYR A 67 14.550 0.429 -2.792 1.00 5.41 O ATOM 0 H TYR A 67 11.773 3.719 -7.315 1.00 13.21 H new ATOM 0 HA TYR A 67 12.594 6.489 -6.828 1.00 3.42 H new ATOM 0 HB2 TYR A 67 12.659 5.950 -4.597 1.00 25.42 H new ATOM 0 HB3 TYR A 67 11.306 5.018 -5.207 1.00 25.42 H new ATOM 0 HD1 TYR A 67 11.796 2.463 -5.730 1.00 41.01 H new ATOM 0 HD2 TYR A 67 14.296 4.903 -3.275 1.00 73.31 H new ATOM 0 HE1 TYR A 67 12.728 0.457 -4.668 1.00 73.43 H new ATOM 0 HE2 TYR A 67 15.227 2.892 -2.227 1.00 11.21 H new ATOM 0 HH TYR A 67 13.960 -0.333 -2.967 1.00 5.41 H new ATOM 1184 N ILE A 74 12.762 11.768 -4.642 1.00 41.22 N ATOM 1185 CA ILE A 74 11.427 11.804 -5.274 1.00 51.12 C ATOM 1186 C ILE A 74 11.187 10.566 -6.172 1.00 62.25 C ATOM 1187 O ILE A 74 12.141 9.986 -6.702 1.00 31.55 O ATOM 1188 CB ILE A 74 11.241 13.141 -6.078 1.00 63.11 C ATOM 1189 CG1 ILE A 74 9.743 13.425 -6.364 1.00 61.22 C ATOM 1190 CG2 ILE A 74 12.073 13.167 -7.372 1.00 63.11 C ATOM 1191 CD1 ILE A 74 9.417 14.894 -6.583 1.00 51.31 C ATOM 0 HA ILE A 74 10.677 11.772 -4.484 1.00 51.12 H new ATOM 0 HB ILE A 74 11.619 13.944 -5.445 1.00 63.11 H new ATOM 0 HG12 ILE A 74 9.440 12.862 -7.247 1.00 61.22 H new ATOM 0 HG13 ILE A 74 9.149 13.053 -5.529 1.00 61.22 H new ATOM 0 HG21 ILE A 74 11.909 14.112 -7.891 1.00 63.11 H new ATOM 0 HG22 ILE A 74 13.130 13.066 -7.127 1.00 63.11 H new ATOM 0 HG23 ILE A 74 11.770 12.342 -8.016 1.00 63.11 H new ATOM 0 HD11 ILE A 74 8.350 15.005 -6.777 1.00 51.31 H new ATOM 0 HD12 ILE A 74 9.685 15.463 -5.693 1.00 51.31 H new ATOM 0 HD13 ILE A 74 9.982 15.269 -7.437 1.00 51.31 H new ATOM 1203 N VAL A 75 9.902 10.174 -6.329 1.00 62.32 N ATOM 1204 CA VAL A 75 9.514 9.007 -7.150 1.00 73.24 C ATOM 1205 C VAL A 75 8.575 9.409 -8.305 1.00 41.24 C ATOM 1206 O VAL A 75 7.916 10.453 -8.242 1.00 20.24 O ATOM 1207 CB VAL A 75 8.849 7.880 -6.285 1.00 21.32 C ATOM 1208 CG1 VAL A 75 9.815 7.370 -5.213 1.00 73.25 C ATOM 1209 CG2 VAL A 75 7.532 8.335 -5.639 1.00 44.22 C ATOM 0 H VAL A 75 9.113 10.653 -5.895 1.00 62.32 H new ATOM 0 HA VAL A 75 10.435 8.611 -7.577 1.00 73.24 H new ATOM 0 HB VAL A 75 8.612 7.064 -6.967 1.00 21.32 H new ATOM 0 HG11 VAL A 75 9.329 6.589 -4.627 1.00 73.25 H new ATOM 0 HG12 VAL A 75 10.707 6.964 -5.690 1.00 73.25 H new ATOM 0 HG13 VAL A 75 10.098 8.193 -4.557 1.00 73.25 H new ATOM 0 HG21 VAL A 75 7.113 7.518 -5.052 1.00 44.22 H new ATOM 0 HG22 VAL A 75 7.722 9.189 -4.989 1.00 44.22 H new ATOM 0 HG23 VAL A 75 6.825 8.622 -6.417 1.00 44.22 H new ATOM 1219 N TYR A 76 8.521 8.562 -9.354 1.00 2.32 N ATOM 1220 CA TYR A 76 7.670 8.802 -10.538 1.00 14.30 C ATOM 1221 C TYR A 76 6.785 7.573 -10.837 1.00 24.01 C ATOM 1222 O TYR A 76 7.043 6.478 -10.329 1.00 14.14 O ATOM 1223 CB TYR A 76 8.545 9.135 -11.763 1.00 31.23 C ATOM 1224 CG TYR A 76 9.343 10.431 -11.629 1.00 31.41 C ATOM 1225 CD1 TYR A 76 8.770 11.662 -11.945 1.00 11.14 C ATOM 1226 CD2 TYR A 76 10.666 10.422 -11.187 1.00 31.15 C ATOM 1227 CE1 TYR A 76 9.490 12.838 -11.826 1.00 51.34 C ATOM 1228 CE2 TYR A 76 11.388 11.595 -11.065 1.00 23.11 C ATOM 1229 CZ TYR A 76 10.797 12.799 -11.386 1.00 23.21 C ATOM 1230 OH TYR A 76 11.515 13.970 -11.266 1.00 54.24 O ATOM 0 H TYR A 76 9.062 7.699 -9.404 1.00 2.32 H new ATOM 0 HA TYR A 76 7.019 9.650 -10.325 1.00 14.30 H new ATOM 0 HB2 TYR A 76 9.238 8.311 -11.935 1.00 31.23 H new ATOM 0 HB3 TYR A 76 7.906 9.204 -12.644 1.00 31.23 H new ATOM 0 HD1 TYR A 76 7.747 11.699 -12.289 1.00 11.14 H new ATOM 0 HD2 TYR A 76 11.135 9.482 -10.936 1.00 31.15 H new ATOM 0 HE1 TYR A 76 9.030 13.783 -12.077 1.00 51.34 H new ATOM 0 HE2 TYR A 76 12.411 11.568 -10.720 1.00 23.11 H new ATOM 0 HH TYR A 76 12.418 13.768 -10.943 1.00 54.24 H new ATOM 1240 N CYS A 77 5.740 7.772 -11.671 1.00 63.03 N ATOM 1241 CA CYS A 77 4.804 6.690 -12.052 1.00 63.04 C ATOM 1242 C CYS A 77 5.336 5.872 -13.249 1.00 35.21 C ATOM 1243 O CYS A 77 6.303 6.280 -13.901 1.00 72.43 O ATOM 1244 CB CYS A 77 3.395 7.263 -12.352 1.00 40.24 C ATOM 1245 SG CYS A 77 3.283 8.405 -13.762 1.00 70.32 S ATOM 0 H CYS A 77 5.523 8.674 -12.094 1.00 63.03 H new ATOM 0 HA CYS A 77 4.723 6.010 -11.204 1.00 63.04 H new ATOM 0 HB2 CYS A 77 2.716 6.429 -12.530 1.00 40.24 H new ATOM 0 HB3 CYS A 77 3.038 7.780 -11.462 1.00 40.24 H new ATOM 0 HG CYS A 77 2.054 8.804 -13.900 1.00 70.32 H new ATOM 1251 N SER A 78 4.699 4.711 -13.525 1.00 41.34 N ATOM 1252 CA SER A 78 5.105 3.822 -14.635 1.00 30.24 C ATOM 1253 C SER A 78 3.995 3.681 -15.711 1.00 63.41 C ATOM 1254 O SER A 78 3.894 2.635 -16.364 1.00 23.23 O ATOM 1255 CB SER A 78 5.491 2.441 -14.073 1.00 60.33 C ATOM 1256 OG SER A 78 6.298 1.719 -14.992 1.00 34.54 O ATOM 0 H SER A 78 3.900 4.368 -12.992 1.00 41.34 H new ATOM 0 HA SER A 78 5.967 4.273 -15.127 1.00 30.24 H new ATOM 0 HB2 SER A 78 6.029 2.565 -13.133 1.00 60.33 H new ATOM 0 HB3 SER A 78 4.589 1.871 -13.851 1.00 60.33 H new ATOM 0 HG SER A 78 5.865 1.711 -15.871 1.00 34.54 H new ATOM 1262 N ASN A 79 3.172 4.746 -15.900 1.00 52.42 N ATOM 1263 CA ASN A 79 2.069 4.765 -16.898 1.00 21.34 C ATOM 1264 C ASN A 79 1.067 3.597 -16.688 1.00 2.43 C ATOM 1265 O ASN A 79 0.733 2.865 -17.629 1.00 14.34 O ATOM 1266 CB ASN A 79 2.630 4.764 -18.343 1.00 3.42 C ATOM 1267 CG ASN A 79 3.478 5.995 -18.656 1.00 73.34 C ATOM 1268 OD1 ASN A 79 4.706 5.949 -18.573 1.00 13.33 O ATOM 1269 ND2 ASN A 79 2.830 7.103 -19.021 1.00 35.32 N ATOM 0 H ASN A 79 3.254 5.612 -15.367 1.00 52.42 H new ATOM 0 HA ASN A 79 1.515 5.691 -16.745 1.00 21.34 H new ATOM 0 HB2 ASN A 79 3.232 3.868 -18.492 1.00 3.42 H new ATOM 0 HB3 ASN A 79 1.801 4.712 -19.049 1.00 3.42 H new ATOM 0 HD21 ASN A 79 3.353 7.950 -19.243 1.00 35.32 H new ATOM 0 HD22 ASN A 79 1.812 7.103 -19.078 1.00 35.32 H new ATOM 1276 N ASP A 80 0.595 3.440 -15.435 1.00 70.43 N ATOM 1277 CA ASP A 80 -0.365 2.381 -15.059 1.00 41.23 C ATOM 1278 C ASP A 80 -1.422 2.946 -14.078 1.00 70.11 C ATOM 1279 O ASP A 80 -1.492 4.165 -13.885 1.00 71.15 O ATOM 1280 CB ASP A 80 0.399 1.182 -14.435 1.00 5.53 C ATOM 1281 CG ASP A 80 1.254 0.428 -15.445 1.00 22.03 C ATOM 1282 OD1 ASP A 80 0.683 -0.134 -16.405 1.00 63.23 O ATOM 1283 OD2 ASP A 80 2.491 0.399 -15.275 1.00 64.42 O1- ATOM 0 H ASP A 80 0.867 4.041 -14.657 1.00 70.43 H new ATOM 0 HA ASP A 80 -0.888 2.029 -15.948 1.00 41.23 H new ATOM 0 HB2 ASP A 80 1.036 1.545 -13.628 1.00 5.53 H new ATOM 0 HB3 ASP A 80 -0.319 0.493 -13.990 1.00 5.53 H new ATOM 1288 N LEU A 81 -2.246 2.064 -13.456 1.00 3.33 N ATOM 1289 CA LEU A 81 -3.294 2.494 -12.494 1.00 65.33 C ATOM 1290 C LEU A 81 -2.723 3.090 -11.173 1.00 50.34 C ATOM 1291 O LEU A 81 -3.497 3.581 -10.344 1.00 41.13 O ATOM 1292 CB LEU A 81 -4.312 1.338 -12.222 1.00 74.13 C ATOM 1293 CG LEU A 81 -3.924 0.171 -11.253 1.00 25.23 C ATOM 1294 CD1 LEU A 81 -2.512 -0.367 -11.500 1.00 74.43 C ATOM 1295 CD2 LEU A 81 -4.115 0.560 -9.779 1.00 34.32 C ATOM 0 H LEU A 81 -2.205 1.055 -13.602 1.00 3.33 H new ATOM 0 HA LEU A 81 -3.829 3.315 -12.970 1.00 65.33 H new ATOM 0 HB2 LEU A 81 -5.224 1.792 -11.835 1.00 74.13 H new ATOM 0 HB3 LEU A 81 -4.562 0.892 -13.185 1.00 74.13 H new ATOM 0 HG LEU A 81 -4.615 -0.642 -11.478 1.00 25.23 H new ATOM 0 HD11 LEU A 81 -2.302 -1.174 -10.798 1.00 74.43 H new ATOM 0 HD12 LEU A 81 -2.440 -0.746 -12.520 1.00 74.43 H new ATOM 0 HD13 LEU A 81 -1.787 0.435 -11.359 1.00 74.43 H new ATOM 0 HD21 LEU A 81 -3.834 -0.279 -9.142 1.00 34.32 H new ATOM 0 HD22 LEU A 81 -3.487 1.420 -9.545 1.00 34.32 H new ATOM 0 HD23 LEU A 81 -5.160 0.816 -9.603 1.00 34.32 H new ATOM 1307 N LEU A 82 -1.374 3.067 -10.990 1.00 4.32 N ATOM 1308 CA LEU A 82 -0.708 3.623 -9.783 1.00 31.51 C ATOM 1309 C LEU A 82 -1.050 5.122 -9.572 1.00 30.42 C ATOM 1310 O LEU A 82 -1.148 5.578 -8.429 1.00 23.55 O ATOM 1311 CB LEU A 82 0.838 3.431 -9.887 1.00 73.33 C ATOM 1312 CG LEU A 82 1.602 3.031 -8.595 1.00 62.44 C ATOM 1313 CD1 LEU A 82 1.445 4.080 -7.494 1.00 64.11 C ATOM 1314 CD2 LEU A 82 1.180 1.643 -8.100 1.00 2.13 C ATOM 0 H LEU A 82 -0.726 2.667 -11.668 1.00 4.32 H new ATOM 0 HA LEU A 82 -1.083 3.077 -8.918 1.00 31.51 H new ATOM 0 HB2 LEU A 82 1.032 2.668 -10.641 1.00 73.33 H new ATOM 0 HB3 LEU A 82 1.268 4.362 -10.257 1.00 73.33 H new ATOM 0 HG LEU A 82 2.660 2.985 -8.852 1.00 62.44 H new ATOM 0 HD11 LEU A 82 1.994 3.762 -6.608 1.00 64.11 H new ATOM 0 HD12 LEU A 82 1.839 5.035 -7.842 1.00 64.11 H new ATOM 0 HD13 LEU A 82 0.390 4.192 -7.246 1.00 64.11 H new ATOM 0 HD21 LEU A 82 1.734 1.395 -7.195 1.00 2.13 H new ATOM 0 HD22 LEU A 82 0.112 1.643 -7.883 1.00 2.13 H new ATOM 0 HD23 LEU A 82 1.393 0.902 -8.870 1.00 2.13 H new ATOM 1326 N GLY A 83 -1.237 5.877 -10.684 1.00 65.30 N ATOM 1327 CA GLY A 83 -1.572 7.307 -10.613 1.00 33.31 C ATOM 1328 C GLY A 83 -2.922 7.613 -9.949 1.00 33.04 C ATOM 1329 O GLY A 83 -3.104 8.714 -9.421 1.00 24.14 O ATOM 0 H GLY A 83 -1.160 5.513 -11.634 1.00 65.30 H new ATOM 0 HA2 GLY A 83 -0.786 7.824 -10.063 1.00 33.31 H new ATOM 0 HA3 GLY A 83 -1.577 7.716 -11.623 1.00 33.31 H new ATOM 1333 N ASP A 84 -3.867 6.648 -9.973 1.00 21.32 N ATOM 1334 CA ASP A 84 -5.206 6.832 -9.363 1.00 61.04 C ATOM 1335 C ASP A 84 -5.167 6.731 -7.821 1.00 21.33 C ATOM 1336 O ASP A 84 -6.036 7.296 -7.147 1.00 22.54 O ATOM 1337 CB ASP A 84 -6.202 5.794 -9.918 1.00 15.55 C ATOM 1338 CG ASP A 84 -6.547 6.029 -11.380 1.00 13.44 C ATOM 1339 OD1 ASP A 84 -7.513 6.773 -11.650 1.00 62.24 O ATOM 1340 OD2 ASP A 84 -5.849 5.471 -12.253 1.00 32.43 O1- ATOM 0 H ASP A 84 -3.730 5.735 -10.407 1.00 21.32 H new ATOM 0 HA ASP A 84 -5.535 7.837 -9.627 1.00 61.04 H new ATOM 0 HB2 ASP A 84 -5.779 4.796 -9.805 1.00 15.55 H new ATOM 0 HB3 ASP A 84 -7.116 5.822 -9.325 1.00 15.55 H new ATOM 1345 N LEU A 85 -4.168 6.007 -7.268 1.00 11.25 N ATOM 1346 CA LEU A 85 -4.030 5.832 -5.804 1.00 53.03 C ATOM 1347 C LEU A 85 -3.577 7.134 -5.115 1.00 51.31 C ATOM 1348 O LEU A 85 -4.159 7.532 -4.100 1.00 61.24 O ATOM 1349 CB LEU A 85 -3.034 4.691 -5.484 1.00 41.32 C ATOM 1350 CG LEU A 85 -3.393 3.302 -6.068 1.00 11.10 C ATOM 1351 CD1 LEU A 85 -2.162 2.396 -6.119 1.00 41.44 C ATOM 1352 CD2 LEU A 85 -4.517 2.634 -5.271 1.00 2.51 C ATOM 0 H LEU A 85 -3.446 5.535 -7.813 1.00 11.25 H new ATOM 0 HA LEU A 85 -5.013 5.569 -5.414 1.00 53.03 H new ATOM 0 HB2 LEU A 85 -2.050 4.978 -5.856 1.00 41.32 H new ATOM 0 HB3 LEU A 85 -2.951 4.599 -4.401 1.00 41.32 H new ATOM 0 HG LEU A 85 -3.750 3.457 -7.086 1.00 11.10 H new ATOM 0 HD11 LEU A 85 -2.440 1.427 -6.533 1.00 41.44 H new ATOM 0 HD12 LEU A 85 -1.399 2.854 -6.749 1.00 41.44 H new ATOM 0 HD13 LEU A 85 -1.768 2.261 -5.112 1.00 41.44 H new ATOM 0 HD21 LEU A 85 -4.744 1.661 -5.707 1.00 2.51 H new ATOM 0 HD22 LEU A 85 -4.201 2.502 -4.236 1.00 2.51 H new ATOM 0 HD23 LEU A 85 -5.407 3.262 -5.301 1.00 2.51 H new ATOM 1364 N PHE A 86 -2.537 7.790 -5.673 1.00 43.35 N ATOM 1365 CA PHE A 86 -2.000 9.048 -5.116 1.00 21.34 C ATOM 1366 C PHE A 86 -2.716 10.277 -5.701 1.00 60.32 C ATOM 1367 O PHE A 86 -3.087 11.192 -4.958 1.00 0.00 O ATOM 1368 CB PHE A 86 -0.479 9.166 -5.379 1.00 75.04 C ATOM 1369 CG PHE A 86 0.373 7.997 -4.897 1.00 65.11 C ATOM 1370 CD1 PHE A 86 0.092 7.328 -3.704 1.00 44.24 C ATOM 1371 CD2 PHE A 86 1.465 7.574 -5.646 1.00 32.14 C ATOM 1372 CE1 PHE A 86 0.879 6.271 -3.284 1.00 63.33 C ATOM 1373 CE2 PHE A 86 2.251 6.518 -5.225 1.00 2.04 C ATOM 1374 CZ PHE A 86 1.959 5.868 -4.044 1.00 14.42 C ATOM 0 H PHE A 86 -2.052 7.467 -6.511 1.00 43.35 H new ATOM 0 HA PHE A 86 -2.178 9.021 -4.041 1.00 21.34 H new ATOM 0 HB2 PHE A 86 -0.324 9.286 -6.451 1.00 75.04 H new ATOM 0 HB3 PHE A 86 -0.117 10.076 -4.901 1.00 75.04 H new ATOM 0 HD1 PHE A 86 -0.749 7.639 -3.103 1.00 44.24 H new ATOM 0 HD2 PHE A 86 1.703 8.078 -6.571 1.00 32.14 H new ATOM 0 HE1 PHE A 86 0.649 5.760 -2.361 1.00 63.33 H new ATOM 0 HE2 PHE A 86 3.094 6.202 -5.821 1.00 2.04 H new ATOM 0 HZ PHE A 86 2.575 5.044 -3.714 1.00 14.42 H new ATOM 1384 N GLY A 87 -2.885 10.299 -7.038 1.00 20.03 N ATOM 1385 CA GLY A 87 -3.533 11.423 -7.720 1.00 65.44 C ATOM 1386 C GLY A 87 -2.548 12.520 -8.137 1.00 71.01 C ATOM 1387 O GLY A 87 -2.947 13.678 -8.290 1.00 72.40 O ATOM 0 H GLY A 87 -2.581 9.550 -7.660 1.00 20.03 H new ATOM 0 HA2 GLY A 87 -4.052 11.053 -8.604 1.00 65.44 H new ATOM 0 HA3 GLY A 87 -4.289 11.852 -7.063 1.00 65.44 H new ATOM 1391 N VAL A 88 -1.258 12.151 -8.316 1.00 44.44 N ATOM 1392 CA VAL A 88 -0.197 13.097 -8.711 1.00 24.12 C ATOM 1393 C VAL A 88 1.057 12.317 -9.200 1.00 43.11 C ATOM 1394 O VAL A 88 1.477 11.367 -8.529 1.00 54.13 O ATOM 1395 CB VAL A 88 0.172 14.074 -7.529 1.00 72.25 C ATOM 1396 CG1 VAL A 88 0.715 13.326 -6.301 1.00 74.34 C ATOM 1397 CG2 VAL A 88 1.144 15.176 -7.976 1.00 24.25 C ATOM 0 H VAL A 88 -0.928 11.194 -8.191 1.00 44.44 H new ATOM 0 HA VAL A 88 -0.572 13.708 -9.532 1.00 24.12 H new ATOM 0 HB VAL A 88 -0.759 14.555 -7.230 1.00 72.25 H new ATOM 0 HG11 VAL A 88 0.954 14.042 -5.515 1.00 74.34 H new ATOM 0 HG12 VAL A 88 -0.039 12.627 -5.938 1.00 74.34 H new ATOM 0 HG13 VAL A 88 1.615 12.777 -6.578 1.00 74.34 H new ATOM 0 HG21 VAL A 88 1.371 15.826 -7.131 1.00 24.25 H new ATOM 0 HG22 VAL A 88 2.065 14.722 -8.342 1.00 24.25 H new ATOM 0 HG23 VAL A 88 0.687 15.763 -8.773 1.00 24.25 H new ATOM 1407 N PRO A 89 1.676 12.684 -10.373 1.00 31.41 N ATOM 1408 CA PRO A 89 2.872 11.975 -10.899 1.00 2.45 C ATOM 1409 C PRO A 89 4.074 11.994 -9.925 1.00 33.50 C ATOM 1410 O PRO A 89 4.743 10.971 -9.748 1.00 75.24 O ATOM 1411 CB PRO A 89 3.205 12.728 -12.205 1.00 42.21 C ATOM 1412 CG PRO A 89 2.498 14.037 -12.099 1.00 4.34 C ATOM 1413 CD PRO A 89 1.267 13.785 -11.279 1.00 11.42 C ATOM 0 HA PRO A 89 2.668 10.915 -11.048 1.00 2.45 H new ATOM 0 HB2 PRO A 89 4.280 12.870 -12.313 1.00 42.21 H new ATOM 0 HB3 PRO A 89 2.868 12.169 -13.078 1.00 42.21 H new ATOM 0 HG2 PRO A 89 3.134 14.785 -11.626 1.00 4.34 H new ATOM 0 HG3 PRO A 89 2.236 14.419 -13.086 1.00 4.34 H new ATOM 0 HD2 PRO A 89 0.967 14.673 -10.722 1.00 11.42 H new ATOM 0 HD3 PRO A 89 0.420 13.498 -11.903 1.00 11.42 H new ATOM 1421 N SER A 90 4.327 13.161 -9.290 1.00 65.20 N ATOM 1422 CA SER A 90 5.430 13.319 -8.324 1.00 33.44 C ATOM 1423 C SER A 90 4.920 13.095 -6.889 1.00 41.51 C ATOM 1424 O SER A 90 4.003 13.794 -6.440 1.00 22.24 O ATOM 1425 CB SER A 90 6.061 14.718 -8.463 1.00 62.12 C ATOM 1426 OG SER A 90 5.093 15.744 -8.294 1.00 0.32 O ATOM 0 H SER A 90 3.778 14.009 -9.433 1.00 65.20 H new ATOM 0 HA SER A 90 6.194 12.572 -8.537 1.00 33.44 H new ATOM 0 HB2 SER A 90 6.852 14.837 -7.723 1.00 62.12 H new ATOM 0 HB3 SER A 90 6.526 14.813 -9.444 1.00 62.12 H new ATOM 0 HG SER A 90 4.457 15.482 -7.596 1.00 0.32 H new ATOM 1432 N PHE A 91 5.503 12.103 -6.181 1.00 21.10 N ATOM 1433 CA PHE A 91 5.092 11.764 -4.804 1.00 63.52 C ATOM 1434 C PHE A 91 6.285 11.785 -3.827 1.00 2.51 C ATOM 1435 O PHE A 91 7.438 11.621 -4.241 1.00 73.21 O ATOM 1436 CB PHE A 91 4.402 10.378 -4.800 1.00 14.43 C ATOM 1437 CG PHE A 91 3.366 10.184 -3.706 1.00 61.15 C ATOM 1438 CD1 PHE A 91 2.247 11.009 -3.630 1.00 14.31 C ATOM 1439 CD2 PHE A 91 3.504 9.174 -2.760 1.00 41.21 C ATOM 1440 CE1 PHE A 91 1.299 10.832 -2.642 1.00 33.13 C ATOM 1441 CE2 PHE A 91 2.556 8.996 -1.771 1.00 20.41 C ATOM 1442 CZ PHE A 91 1.453 9.826 -1.712 1.00 45.30 C ATOM 0 H PHE A 91 6.260 11.523 -6.542 1.00 21.10 H new ATOM 0 HA PHE A 91 4.388 12.521 -4.460 1.00 63.52 H new ATOM 0 HB2 PHE A 91 3.922 10.224 -5.766 1.00 14.43 H new ATOM 0 HB3 PHE A 91 5.166 9.608 -4.697 1.00 14.43 H new ATOM 0 HD1 PHE A 91 2.119 11.799 -4.355 1.00 14.31 H new ATOM 0 HD2 PHE A 91 4.363 8.521 -2.799 1.00 41.21 H new ATOM 0 HE1 PHE A 91 0.437 11.481 -2.598 1.00 33.13 H new ATOM 0 HE2 PHE A 91 2.677 8.207 -1.043 1.00 20.41 H new ATOM 0 HZ PHE A 91 0.712 9.687 -0.938 1.00 45.30 H new ATOM 1452 N SER A 92 5.984 11.991 -2.527 1.00 32.32 N ATOM 1453 CA SER A 92 7.006 12.040 -1.467 1.00 1.11 C ATOM 1454 C SER A 92 7.134 10.679 -0.760 1.00 22.03 C ATOM 1455 O SER A 92 6.193 10.230 -0.100 1.00 62.14 O ATOM 1456 CB SER A 92 6.653 13.134 -0.438 1.00 31.04 C ATOM 1457 OG SER A 92 6.643 14.419 -1.040 1.00 2.33 O ATOM 0 H SER A 92 5.032 12.127 -2.187 1.00 32.32 H new ATOM 0 HA SER A 92 7.963 12.278 -1.931 1.00 1.11 H new ATOM 0 HB2 SER A 92 5.676 12.926 -0.002 1.00 31.04 H new ATOM 0 HB3 SER A 92 7.376 13.117 0.378 1.00 31.04 H new ATOM 0 HG SER A 92 6.415 15.094 -0.367 1.00 2.33 H new ATOM 1463 N VAL A 93 8.308 10.027 -0.900 1.00 3.13 N ATOM 1464 CA VAL A 93 8.565 8.714 -0.271 1.00 24.11 C ATOM 1465 C VAL A 93 9.230 8.860 1.124 1.00 15.44 C ATOM 1466 O VAL A 93 9.026 8.005 1.991 1.00 61.24 O ATOM 1467 CB VAL A 93 9.416 7.780 -1.205 1.00 24.35 C ATOM 1468 CG1 VAL A 93 10.872 8.253 -1.346 1.00 50.44 C ATOM 1469 CG2 VAL A 93 9.356 6.320 -0.731 1.00 12.52 C ATOM 0 H VAL A 93 9.092 10.388 -1.443 1.00 3.13 H new ATOM 0 HA VAL A 93 7.594 8.241 -0.123 1.00 24.11 H new ATOM 0 HB VAL A 93 8.968 7.839 -2.197 1.00 24.35 H new ATOM 0 HG11 VAL A 93 11.414 7.572 -2.002 1.00 50.44 H new ATOM 0 HG12 VAL A 93 10.889 9.256 -1.771 1.00 50.44 H new ATOM 0 HG13 VAL A 93 11.347 8.267 -0.365 1.00 50.44 H new ATOM 0 HG21 VAL A 93 9.954 5.697 -1.396 1.00 12.52 H new ATOM 0 HG22 VAL A 93 9.750 6.250 0.283 1.00 12.52 H new ATOM 0 HG23 VAL A 93 8.322 5.976 -0.743 1.00 12.52 H new ATOM 1479 N LYS A 94 10.021 9.941 1.334 1.00 53.13 N ATOM 1480 CA LYS A 94 10.704 10.181 2.628 1.00 22.51 C ATOM 1481 C LYS A 94 9.720 10.627 3.731 1.00 5.14 C ATOM 1482 O LYS A 94 9.912 10.279 4.900 1.00 54.12 O ATOM 1483 CB LYS A 94 11.868 11.194 2.478 1.00 63.20 C ATOM 1484 CG LYS A 94 11.481 12.599 1.964 1.00 33.21 C ATOM 1485 CD LYS A 94 12.347 13.065 0.780 1.00 74.43 C ATOM 1486 CE LYS A 94 13.827 13.259 1.148 1.00 40.13 C ATOM 1487 NZ LYS A 94 14.041 14.317 2.185 1.00 52.12 N1+ ATOM 0 H LYS A 94 10.201 10.656 0.629 1.00 53.13 H new ATOM 0 HA LYS A 94 11.128 9.227 2.940 1.00 22.51 H new ATOM 0 HB2 LYS A 94 12.354 11.305 3.447 1.00 63.20 H new ATOM 0 HB3 LYS A 94 12.607 10.770 1.797 1.00 63.20 H new ATOM 0 HG2 LYS A 94 10.434 12.594 1.661 1.00 33.21 H new ATOM 0 HG3 LYS A 94 11.573 13.316 2.779 1.00 33.21 H new ATOM 0 HD2 LYS A 94 12.273 12.334 -0.025 1.00 74.43 H new ATOM 0 HD3 LYS A 94 11.949 14.004 0.395 1.00 74.43 H new ATOM 0 HE2 LYS A 94 14.231 12.315 1.512 1.00 40.13 H new ATOM 0 HE3 LYS A 94 14.387 13.520 0.250 1.00 40.13 H new ATOM 0 HZ1 LYS A 94 15.061 14.449 2.341 1.00 52.12 H new ATOM 0 HZ2 LYS A 94 13.622 15.212 1.860 1.00 52.12 H new ATOM 0 HZ3 LYS A 94 13.589 14.027 3.075 1.00 52.12 H new ATOM 1501 N GLU A 95 8.656 11.372 3.355 1.00 74.44 N ATOM 1502 CA GLU A 95 7.631 11.827 4.315 1.00 52.33 C ATOM 1503 C GLU A 95 6.657 10.668 4.579 1.00 62.22 C ATOM 1504 O GLU A 95 5.926 10.256 3.674 1.00 43.04 O ATOM 1505 CB GLU A 95 6.875 13.066 3.778 1.00 42.24 C ATOM 1506 CG GLU A 95 7.772 14.268 3.470 1.00 41.52 C ATOM 1507 CD GLU A 95 8.312 14.954 4.717 1.00 33.45 C ATOM 1508 OE1 GLU A 95 9.289 14.439 5.301 1.00 43.12 O ATOM 1509 OE2 GLU A 95 7.759 16.004 5.104 1.00 11.13 O1- ATOM 0 H GLU A 95 8.487 11.669 2.394 1.00 74.44 H new ATOM 0 HA GLU A 95 8.114 12.122 5.246 1.00 52.33 H new ATOM 0 HB2 GLU A 95 6.340 12.785 2.871 1.00 42.24 H new ATOM 0 HB3 GLU A 95 6.126 13.365 4.511 1.00 42.24 H new ATOM 0 HG2 GLU A 95 8.609 13.939 2.854 1.00 41.52 H new ATOM 0 HG3 GLU A 95 7.208 14.992 2.882 1.00 41.52 H new ATOM 1516 N HIS A 96 6.699 10.111 5.804 1.00 44.43 N ATOM 1517 CA HIS A 96 5.864 8.950 6.176 1.00 3.23 C ATOM 1518 C HIS A 96 4.533 9.340 6.844 1.00 1.00 C ATOM 1519 O HIS A 96 3.523 8.661 6.632 1.00 23.32 O ATOM 1520 CB HIS A 96 6.661 7.997 7.097 1.00 44.12 C ATOM 1521 CG HIS A 96 8.003 7.582 6.543 1.00 74.20 C ATOM 1522 ND1 HIS A 96 9.136 7.454 7.321 1.00 50.54 N ATOM 1523 CD2 HIS A 96 8.388 7.282 5.276 1.00 63.44 C ATOM 1524 CE1 HIS A 96 10.156 7.098 6.558 1.00 74.12 C ATOM 1525 NE2 HIS A 96 9.727 6.986 5.315 1.00 35.34 N ATOM 0 H HIS A 96 7.303 10.446 6.555 1.00 44.43 H new ATOM 0 HA HIS A 96 5.606 8.444 5.246 1.00 3.23 H new ATOM 0 HB2 HIS A 96 6.813 8.483 8.061 1.00 44.12 H new ATOM 0 HB3 HIS A 96 6.064 7.104 7.281 1.00 44.12 H new ATOM 0 HD1 HIS A 96 9.180 7.610 8.328 1.00 50.54 H new ATOM 0 HD2 HIS A 96 7.757 7.277 4.400 1.00 63.44 H new ATOM 0 HE1 HIS A 96 11.168 6.928 6.895 1.00 74.12 H new ATOM 1534 N ARG A 97 4.529 10.414 7.661 1.00 34.22 N ATOM 1535 CA ARG A 97 3.303 10.858 8.368 1.00 12.22 C ATOM 1536 C ARG A 97 2.300 11.614 7.461 1.00 74.45 C ATOM 1537 O ARG A 97 1.127 11.740 7.826 1.00 63.44 O ATOM 1538 CB ARG A 97 3.655 11.720 9.606 1.00 24.25 C ATOM 1539 CG ARG A 97 4.365 13.057 9.308 1.00 12.20 C ATOM 1540 CD ARG A 97 3.425 14.262 9.421 1.00 43.44 C ATOM 1541 NE ARG A 97 4.151 15.546 9.395 1.00 31.03 N ATOM 1542 CZ ARG A 97 3.584 16.762 9.549 1.00 22.13 C ATOM 1543 NH1 ARG A 97 2.262 16.902 9.727 1.00 44.44 N1+ ATOM 1544 NH2 ARG A 97 4.353 17.852 9.517 1.00 15.33 N ATOM 0 H ARG A 97 5.352 10.987 7.848 1.00 34.22 H new ATOM 0 HA ARG A 97 2.804 9.944 8.691 1.00 12.22 H new ATOM 0 HB2 ARG A 97 2.736 11.931 10.152 1.00 24.25 H new ATOM 0 HB3 ARG A 97 4.291 11.131 10.267 1.00 24.25 H new ATOM 0 HG2 ARG A 97 5.197 13.184 10.000 1.00 12.20 H new ATOM 0 HG3 ARG A 97 4.788 13.024 8.304 1.00 12.20 H new ATOM 0 HD2 ARG A 97 2.707 14.237 8.601 1.00 43.44 H new ATOM 0 HD3 ARG A 97 2.855 14.189 10.347 1.00 43.44 H new ATOM 0 HE ARG A 97 5.160 15.513 9.249 1.00 31.03 H new ATOM 0 HH11 ARG A 97 1.660 16.079 9.748 1.00 44.44 H new ATOM 0 HH12 ARG A 97 1.858 17.832 9.841 1.00 44.44 H new ATOM 0 HH21 ARG A 97 5.359 17.762 9.377 1.00 15.33 H new ATOM 0 HH22 ARG A 97 3.934 18.775 9.632 1.00 15.33 H new ATOM 1558 N LYS A 98 2.762 12.131 6.302 1.00 53.51 N ATOM 1559 CA LYS A 98 1.895 12.889 5.375 1.00 32.31 C ATOM 1560 C LYS A 98 1.184 11.988 4.345 1.00 54.23 C ATOM 1561 O LYS A 98 0.019 12.238 4.021 1.00 71.44 O ATOM 1562 CB LYS A 98 2.712 13.972 4.638 1.00 11.33 C ATOM 1563 CG LYS A 98 3.146 15.143 5.524 1.00 73.34 C ATOM 1564 CD LYS A 98 3.851 16.240 4.721 1.00 33.54 C ATOM 1565 CE LYS A 98 4.183 17.466 5.576 1.00 11.42 C ATOM 1566 NZ LYS A 98 5.383 17.253 6.441 1.00 4.23 N1+ ATOM 0 H LYS A 98 3.728 12.037 5.987 1.00 53.51 H new ATOM 0 HA LYS A 98 1.123 13.356 5.986 1.00 32.31 H new ATOM 0 HB2 LYS A 98 3.599 13.510 4.205 1.00 11.33 H new ATOM 0 HB3 LYS A 98 2.118 14.358 3.810 1.00 11.33 H new ATOM 0 HG2 LYS A 98 2.273 15.563 6.023 1.00 73.34 H new ATOM 0 HG3 LYS A 98 3.814 14.779 6.304 1.00 73.34 H new ATOM 0 HD2 LYS A 98 4.770 15.840 4.292 1.00 33.54 H new ATOM 0 HD3 LYS A 98 3.216 16.542 3.888 1.00 33.54 H new ATOM 0 HE2 LYS A 98 4.356 18.323 4.925 1.00 11.42 H new ATOM 0 HE3 LYS A 98 3.326 17.710 6.203 1.00 11.42 H new ATOM 0 HZ1 LYS A 98 5.708 18.167 6.816 1.00 4.23 H new ATOM 0 HZ2 LYS A 98 5.134 16.624 7.231 1.00 4.23 H new ATOM 0 HZ3 LYS A 98 6.143 16.819 5.879 1.00 4.23 H new ATOM 1580 N ILE A 99 1.889 10.968 3.808 1.00 3.32 N ATOM 1581 CA ILE A 99 1.305 10.067 2.782 1.00 24.44 C ATOM 1582 C ILE A 99 0.374 8.979 3.368 1.00 53.14 C ATOM 1583 O ILE A 99 -0.488 8.466 2.647 1.00 51.03 O ATOM 1584 CB ILE A 99 2.397 9.414 1.862 1.00 65.42 C ATOM 1585 CG1 ILE A 99 3.310 8.414 2.628 1.00 2.23 C ATOM 1586 CG2 ILE A 99 3.234 10.506 1.182 1.00 43.11 C ATOM 1587 CD1 ILE A 99 4.181 7.552 1.724 1.00 70.43 C ATOM 0 H ILE A 99 2.852 10.747 4.062 1.00 3.32 H new ATOM 0 HA ILE A 99 0.685 10.719 2.167 1.00 24.44 H new ATOM 0 HB ILE A 99 1.874 8.834 1.102 1.00 65.42 H new ATOM 0 HG12 ILE A 99 3.952 8.973 3.309 1.00 2.23 H new ATOM 0 HG13 ILE A 99 2.685 7.764 3.241 1.00 2.23 H new ATOM 0 HG21 ILE A 99 3.989 10.043 0.546 1.00 43.11 H new ATOM 0 HG22 ILE A 99 2.585 11.137 0.575 1.00 43.11 H new ATOM 0 HG23 ILE A 99 3.724 11.115 1.942 1.00 43.11 H new ATOM 0 HD11 ILE A 99 4.787 6.882 2.334 1.00 70.43 H new ATOM 0 HD12 ILE A 99 3.547 6.964 1.060 1.00 70.43 H new ATOM 0 HD13 ILE A 99 4.833 8.192 1.130 1.00 70.43 H new ATOM 1599 N TYR A 100 0.540 8.631 4.668 1.00 4.22 N ATOM 1600 CA TYR A 100 -0.311 7.605 5.321 1.00 43.23 C ATOM 1601 C TYR A 100 -1.780 8.073 5.457 1.00 60.11 C ATOM 1602 O TYR A 100 -2.692 7.240 5.464 1.00 32.01 O ATOM 1603 CB TYR A 100 0.257 7.200 6.709 1.00 3.33 C ATOM 1604 CG TYR A 100 0.477 5.696 6.886 1.00 11.21 C ATOM 1605 CD1 TYR A 100 -0.588 4.795 6.818 1.00 12.33 C ATOM 1606 CD2 TYR A 100 1.751 5.178 7.120 1.00 44.35 C ATOM 1607 CE1 TYR A 100 -0.387 3.437 6.976 1.00 12.34 C ATOM 1608 CE2 TYR A 100 1.955 3.819 7.279 1.00 64.42 C ATOM 1609 CZ TYR A 100 0.885 2.955 7.206 1.00 41.41 C ATOM 1610 OH TYR A 100 1.086 1.601 7.364 1.00 43.44 O ATOM 0 H TYR A 100 1.247 9.040 5.279 1.00 4.22 H new ATOM 0 HA TYR A 100 -0.299 6.728 4.673 1.00 43.23 H new ATOM 0 HB2 TYR A 100 1.205 7.715 6.865 1.00 3.33 H new ATOM 0 HB3 TYR A 100 -0.426 7.549 7.484 1.00 3.33 H new ATOM 0 HD1 TYR A 100 -1.586 5.166 6.639 1.00 12.33 H new ATOM 0 HD2 TYR A 100 2.594 5.851 7.178 1.00 44.35 H new ATOM 0 HE1 TYR A 100 -1.223 2.755 6.920 1.00 12.34 H new ATOM 0 HE2 TYR A 100 2.949 3.437 7.460 1.00 64.42 H new ATOM 0 HH TYR A 100 2.038 1.427 7.517 1.00 43.44 H new ATOM 1620 N THR A 101 -2.004 9.407 5.549 1.00 22.42 N ATOM 1621 CA THR A 101 -3.364 9.978 5.663 1.00 40.31 C ATOM 1622 C THR A 101 -4.138 9.813 4.334 1.00 41.22 C ATOM 1623 O THR A 101 -5.339 9.525 4.349 1.00 32.02 O ATOM 1624 CB THR A 101 -3.300 11.470 6.074 1.00 30.21 C ATOM 1625 OG1 THR A 101 -2.328 11.671 7.088 1.00 43.12 O ATOM 1626 CG2 THR A 101 -4.614 12.023 6.604 1.00 14.30 C ATOM 0 H THR A 101 -1.260 10.105 5.546 1.00 22.42 H new ATOM 0 HA THR A 101 -3.898 9.432 6.441 1.00 40.31 H new ATOM 0 HB THR A 101 -3.046 11.998 5.155 1.00 30.21 H new ATOM 0 HG1 THR A 101 -2.302 12.620 7.333 1.00 43.12 H new ATOM 0 HG21 THR A 101 -4.486 13.072 6.870 1.00 14.30 H new ATOM 0 HG22 THR A 101 -5.382 11.934 5.836 1.00 14.30 H new ATOM 0 HG23 THR A 101 -4.916 11.459 7.487 1.00 14.30 H new ATOM 1634 N MET A 102 -3.430 9.976 3.190 1.00 1.34 N ATOM 1635 CA MET A 102 -4.032 9.821 1.846 1.00 4.13 C ATOM 1636 C MET A 102 -4.417 8.349 1.590 1.00 4.24 C ATOM 1637 O MET A 102 -5.459 8.072 0.989 1.00 73.14 O ATOM 1638 CB MET A 102 -3.059 10.313 0.746 1.00 23.41 C ATOM 1639 CG MET A 102 -2.735 11.809 0.807 1.00 23.24 C ATOM 1640 SD MET A 102 -4.018 12.855 0.073 1.00 11.11 S ATOM 1641 CE MET A 102 -3.318 13.199 -1.540 1.00 73.34 C ATOM 0 H MET A 102 -2.439 10.215 3.173 1.00 1.34 H new ATOM 0 HA MET A 102 -4.934 10.432 1.810 1.00 4.13 H new ATOM 0 HB2 MET A 102 -2.129 9.749 0.823 1.00 23.41 H new ATOM 0 HB3 MET A 102 -3.489 10.087 -0.230 1.00 23.41 H new ATOM 0 HG2 MET A 102 -2.591 12.100 1.848 1.00 23.24 H new ATOM 0 HG3 MET A 102 -1.791 11.990 0.292 1.00 23.24 H new ATOM 0 HE1 MET A 102 -4.000 13.834 -2.105 1.00 73.34 H new ATOM 0 HE2 MET A 102 -2.362 13.709 -1.421 1.00 73.34 H new ATOM 0 HE3 MET A 102 -3.165 12.263 -2.077 1.00 73.34 H new ATOM 1651 N ILE A 103 -3.572 7.413 2.081 1.00 53.32 N ATOM 1652 CA ILE A 103 -3.809 5.959 1.948 1.00 3.22 C ATOM 1653 C ILE A 103 -4.967 5.512 2.874 1.00 13.44 C ATOM 1654 O ILE A 103 -5.743 4.625 2.510 1.00 42.42 O ATOM 1655 CB ILE A 103 -2.502 5.144 2.268 1.00 14.45 C ATOM 1656 CG1 ILE A 103 -1.385 5.490 1.245 1.00 53.21 C ATOM 1657 CG2 ILE A 103 -2.754 3.624 2.297 1.00 33.44 C ATOM 1658 CD1 ILE A 103 0.021 5.167 1.723 1.00 40.20 C ATOM 0 H ILE A 103 -2.712 7.644 2.578 1.00 53.32 H new ATOM 0 HA ILE A 103 -4.091 5.755 0.915 1.00 3.22 H new ATOM 0 HB ILE A 103 -2.176 5.435 3.267 1.00 14.45 H new ATOM 0 HG12 ILE A 103 -1.575 4.947 0.319 1.00 53.21 H new ATOM 0 HG13 ILE A 103 -1.441 6.553 1.009 1.00 53.21 H new ATOM 0 HG21 ILE A 103 -1.822 3.105 2.522 1.00 33.44 H new ATOM 0 HG22 ILE A 103 -3.493 3.392 3.064 1.00 33.44 H new ATOM 0 HG23 ILE A 103 -3.126 3.298 1.325 1.00 33.44 H new ATOM 0 HD11 ILE A 103 0.740 5.439 0.950 1.00 40.20 H new ATOM 0 HD12 ILE A 103 0.235 5.730 2.631 1.00 40.20 H new ATOM 0 HD13 ILE A 103 0.098 4.100 1.931 1.00 40.20 H new ATOM 1670 N TYR A 104 -5.070 6.140 4.067 1.00 72.12 N ATOM 1671 CA TYR A 104 -6.127 5.823 5.052 1.00 3.33 C ATOM 1672 C TYR A 104 -7.529 6.305 4.592 1.00 44.32 C ATOM 1673 O TYR A 104 -8.541 5.783 5.071 1.00 21.40 O ATOM 1674 CB TYR A 104 -5.773 6.446 6.424 1.00 42.34 C ATOM 1675 CG TYR A 104 -6.672 6.002 7.578 1.00 30.15 C ATOM 1676 CD1 TYR A 104 -6.498 4.761 8.193 1.00 72.50 C ATOM 1677 CD2 TYR A 104 -7.694 6.826 8.050 1.00 75.42 C ATOM 1678 CE1 TYR A 104 -7.312 4.361 9.236 1.00 4.01 C ATOM 1679 CE2 TYR A 104 -8.509 6.428 9.092 1.00 63.53 C ATOM 1680 CZ TYR A 104 -8.314 5.196 9.681 1.00 31.41 C ATOM 1681 OH TYR A 104 -9.127 4.797 10.719 1.00 4.33 O ATOM 0 H TYR A 104 -4.430 6.873 4.371 1.00 72.12 H new ATOM 0 HA TYR A 104 -6.174 4.738 5.141 1.00 3.33 H new ATOM 0 HB2 TYR A 104 -4.741 6.193 6.667 1.00 42.34 H new ATOM 0 HB3 TYR A 104 -5.824 7.531 6.339 1.00 42.34 H new ATOM 0 HD1 TYR A 104 -5.714 4.103 7.848 1.00 72.50 H new ATOM 0 HD2 TYR A 104 -7.851 7.792 7.593 1.00 75.42 H new ATOM 0 HE1 TYR A 104 -7.163 3.397 9.701 1.00 4.01 H new ATOM 0 HE2 TYR A 104 -9.296 7.079 9.444 1.00 63.53 H new ATOM 0 HH TYR A 104 -9.781 5.501 10.911 1.00 4.33 H new ATOM 1691 N ARG A 105 -7.583 7.301 3.676 1.00 44.23 N ATOM 1692 CA ARG A 105 -8.863 7.849 3.172 1.00 54.21 C ATOM 1693 C ARG A 105 -9.318 7.190 1.841 1.00 13.35 C ATOM 1694 O ARG A 105 -10.123 7.778 1.108 1.00 71.55 O ATOM 1695 CB ARG A 105 -8.737 9.383 2.993 1.00 54.21 C ATOM 1696 CG ARG A 105 -8.602 10.170 4.304 1.00 63.53 C ATOM 1697 CD ARG A 105 -9.950 10.407 4.991 1.00 12.44 C ATOM 1698 NE ARG A 105 -10.815 11.342 4.246 1.00 32.34 N ATOM 1699 CZ ARG A 105 -12.098 11.624 4.557 1.00 40.13 C ATOM 1700 NH1 ARG A 105 -12.700 11.061 5.615 1.00 42.24 N1+ ATOM 1701 NH2 ARG A 105 -12.783 12.485 3.802 1.00 5.45 N ATOM 0 H ARG A 105 -6.756 7.740 3.272 1.00 44.23 H new ATOM 0 HA ARG A 105 -9.629 7.620 3.913 1.00 54.21 H new ATOM 0 HB2 ARG A 105 -7.869 9.593 2.368 1.00 54.21 H new ATOM 0 HB3 ARG A 105 -9.613 9.746 2.455 1.00 54.21 H new ATOM 0 HG2 ARG A 105 -7.943 9.628 4.982 1.00 63.53 H new ATOM 0 HG3 ARG A 105 -8.129 11.130 4.100 1.00 63.53 H new ATOM 0 HD2 ARG A 105 -10.467 9.454 5.106 1.00 12.44 H new ATOM 0 HD3 ARG A 105 -9.778 10.799 5.993 1.00 12.44 H new ATOM 0 HE ARG A 105 -10.413 11.811 3.434 1.00 32.34 H new ATOM 0 HH11 ARG A 105 -12.187 10.405 6.204 1.00 42.24 H new ATOM 0 HH12 ARG A 105 -13.670 11.289 5.831 1.00 42.24 H new ATOM 0 HH21 ARG A 105 -12.337 12.924 2.997 1.00 5.45 H new ATOM 0 HH22 ARG A 105 -13.753 12.704 4.030 1.00 5.45 H new ATOM 1715 N ASN A 106 -8.816 5.971 1.528 1.00 60.23 N ATOM 1716 CA ASN A 106 -9.191 5.259 0.283 1.00 54.01 C ATOM 1717 C ASN A 106 -9.395 3.734 0.498 1.00 24.21 C ATOM 1718 O ASN A 106 -9.498 2.990 -0.486 1.00 72.41 O ATOM 1719 CB ASN A 106 -8.117 5.502 -0.804 1.00 4.41 C ATOM 1720 CG ASN A 106 -8.211 6.887 -1.441 1.00 25.42 C ATOM 1721 OD1 ASN A 106 -7.832 7.885 -0.830 1.00 13.31 O ATOM 1722 ND2 ASN A 106 -8.716 6.959 -2.677 1.00 61.25 N ATOM 0 H ASN A 106 -8.155 5.464 2.116 1.00 60.23 H new ATOM 0 HA ASN A 106 -10.150 5.664 -0.041 1.00 54.01 H new ATOM 0 HB2 ASN A 106 -7.128 5.378 -0.363 1.00 4.41 H new ATOM 0 HB3 ASN A 106 -8.217 4.744 -1.581 1.00 4.41 H new ATOM 0 HD21 ASN A 106 -8.797 7.863 -3.143 1.00 61.25 H new ATOM 0 HD22 ASN A 106 -9.020 6.110 -3.154 1.00 61.25 H new ATOM 1729 N LEU A 107 -9.467 3.265 1.770 1.00 71.33 N ATOM 1730 CA LEU A 107 -9.664 1.828 2.067 1.00 20.33 C ATOM 1731 C LEU A 107 -10.777 1.608 3.113 1.00 24.30 C ATOM 1732 O LEU A 107 -11.205 2.555 3.783 1.00 3.33 O ATOM 1733 CB LEU A 107 -8.313 1.164 2.486 1.00 22.12 C ATOM 1734 CG LEU A 107 -7.791 1.325 3.953 1.00 65.40 C ATOM 1735 CD1 LEU A 107 -7.922 2.757 4.478 1.00 11.42 C ATOM 1736 CD2 LEU A 107 -8.461 0.327 4.910 1.00 52.44 C ATOM 0 H LEU A 107 -9.392 3.857 2.597 1.00 71.33 H new ATOM 0 HA LEU A 107 -10.002 1.335 1.155 1.00 20.33 H new ATOM 0 HB2 LEU A 107 -8.400 0.096 2.287 1.00 22.12 H new ATOM 0 HB3 LEU A 107 -7.540 1.551 1.821 1.00 22.12 H new ATOM 0 HG LEU A 107 -6.726 1.097 3.917 1.00 65.40 H new ATOM 0 HD11 LEU A 107 -7.544 2.806 5.499 1.00 11.42 H new ATOM 0 HD12 LEU A 107 -7.345 3.431 3.845 1.00 11.42 H new ATOM 0 HD13 LEU A 107 -8.970 3.055 4.464 1.00 11.42 H new ATOM 0 HD21 LEU A 107 -8.071 0.472 5.918 1.00 52.44 H new ATOM 0 HD22 LEU A 107 -9.539 0.491 4.911 1.00 52.44 H new ATOM 0 HD23 LEU A 107 -8.249 -0.690 4.582 1.00 52.44 H new ATOM 1748 N VAL A 108 -11.237 0.344 3.241 1.00 42.12 N ATOM 1749 CA VAL A 108 -12.300 -0.027 4.197 1.00 33.24 C ATOM 1750 C VAL A 108 -11.716 -0.809 5.397 1.00 43.22 C ATOM 1751 O VAL A 108 -10.918 -1.736 5.211 1.00 51.53 O ATOM 1752 CB VAL A 108 -13.444 -0.842 3.492 1.00 13.25 C ATOM 1753 CG1 VAL A 108 -12.981 -2.227 3.015 1.00 72.45 C ATOM 1754 CG2 VAL A 108 -14.683 -0.959 4.392 1.00 24.33 C ATOM 0 H VAL A 108 -10.885 -0.439 2.690 1.00 42.12 H new ATOM 0 HA VAL A 108 -12.740 0.894 4.578 1.00 33.24 H new ATOM 0 HB VAL A 108 -13.718 -0.277 2.601 1.00 13.25 H new ATOM 0 HG11 VAL A 108 -13.813 -2.744 2.536 1.00 72.45 H new ATOM 0 HG12 VAL A 108 -12.166 -2.112 2.301 1.00 72.45 H new ATOM 0 HG13 VAL A 108 -12.636 -2.809 3.869 1.00 72.45 H new ATOM 0 HG21 VAL A 108 -15.456 -1.528 3.875 1.00 24.33 H new ATOM 0 HG22 VAL A 108 -14.414 -1.469 5.317 1.00 24.33 H new ATOM 0 HG23 VAL A 108 -15.060 0.037 4.624 1.00 24.33 H new ATOM 1764 N VAL A 109 -12.125 -0.418 6.623 1.00 13.42 N ATOM 1765 CA VAL A 109 -11.655 -1.067 7.868 1.00 5.50 C ATOM 1766 C VAL A 109 -12.806 -1.811 8.574 1.00 12.02 C ATOM 1767 O VAL A 109 -13.965 -1.387 8.500 1.00 61.55 O ATOM 1768 CB VAL A 109 -10.996 -0.049 8.864 1.00 43.42 C ATOM 1769 CG1 VAL A 109 -9.637 0.428 8.344 1.00 1.15 C ATOM 1770 CG2 VAL A 109 -11.909 1.152 9.169 1.00 41.24 C ATOM 0 H VAL A 109 -12.782 0.347 6.778 1.00 13.42 H new ATOM 0 HA VAL A 109 -10.891 -1.784 7.569 1.00 5.50 H new ATOM 0 HB VAL A 109 -10.844 -0.584 9.801 1.00 43.42 H new ATOM 0 HG11 VAL A 109 -9.203 1.132 9.054 1.00 1.15 H new ATOM 0 HG12 VAL A 109 -8.971 -0.427 8.228 1.00 1.15 H new ATOM 0 HG13 VAL A 109 -9.768 0.919 7.380 1.00 1.15 H new ATOM 0 HG21 VAL A 109 -11.405 1.825 9.863 1.00 41.24 H new ATOM 0 HG22 VAL A 109 -12.131 1.684 8.244 1.00 41.24 H new ATOM 0 HG23 VAL A 109 -12.838 0.798 9.617 1.00 41.24 H new ATOM 1780 N VAL A 110 -12.466 -2.920 9.264 1.00 41.33 N ATOM 1781 CA VAL A 110 -13.454 -3.736 9.998 1.00 61.01 C ATOM 1782 C VAL A 110 -13.554 -3.257 11.464 1.00 11.43 C ATOM 1783 O VAL A 110 -14.617 -2.794 11.890 1.00 11.25 O ATOM 1784 CB VAL A 110 -13.114 -5.272 9.944 1.00 64.14 C ATOM 1785 CG1 VAL A 110 -14.245 -6.125 10.535 1.00 42.10 C ATOM 1786 CG2 VAL A 110 -12.808 -5.728 8.512 1.00 42.11 C ATOM 0 H VAL A 110 -11.510 -3.271 9.328 1.00 41.33 H new ATOM 0 HA VAL A 110 -14.418 -3.603 9.508 1.00 61.01 H new ATOM 0 HB VAL A 110 -12.222 -5.417 10.553 1.00 64.14 H new ATOM 0 HG11 VAL A 110 -13.973 -7.179 10.480 1.00 42.10 H new ATOM 0 HG12 VAL A 110 -14.405 -5.846 11.576 1.00 42.10 H new ATOM 0 HG13 VAL A 110 -15.161 -5.957 9.969 1.00 42.10 H new ATOM 0 HG21 VAL A 110 -12.577 -6.793 8.511 1.00 42.11 H new ATOM 0 HG22 VAL A 110 -13.676 -5.544 7.878 1.00 42.11 H new ATOM 0 HG23 VAL A 110 -11.953 -5.171 8.128 1.00 42.11 H new ATOM 1796 N ASN A 111 -12.439 -3.366 12.222 1.00 41.23 N ATOM 1797 CA ASN A 111 -12.387 -2.942 13.637 1.00 41.34 C ATOM 1798 C ASN A 111 -10.970 -2.465 14.010 1.00 31.43 C ATOM 1799 O ASN A 111 -9.984 -3.137 13.694 1.00 63.51 O ATOM 1800 CB ASN A 111 -12.814 -4.099 14.570 1.00 1.22 C ATOM 1801 CG ASN A 111 -14.327 -4.280 14.647 1.00 21.11 C ATOM 1802 OD1 ASN A 111 -14.897 -5.098 13.926 1.00 71.05 O ATOM 1803 ND2 ASN A 111 -14.991 -3.514 15.517 1.00 62.42 N ATOM 0 H ASN A 111 -11.559 -3.746 11.873 1.00 41.23 H new ATOM 0 HA ASN A 111 -13.082 -2.113 13.765 1.00 41.34 H new ATOM 0 HB2 ASN A 111 -12.361 -5.026 14.220 1.00 1.22 H new ATOM 0 HB3 ASN A 111 -12.425 -3.913 15.571 1.00 1.22 H new ATOM 0 HD21 ASN A 111 -16.004 -3.597 15.600 1.00 62.42 H new ATOM 0 HD22 ASN A 111 -14.485 -2.846 16.099 1.00 62.42 H new