USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 641 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 Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.152 K(o=-0.15,f=-1.9!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -150:sc= -1.86 (180deg=-4.13!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot -51:sc= -3.31! USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 166:sc= 0.154 (180deg=0.105) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 MET CE :methyl 154:sc= -7.89! (180deg=-12.2!) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 GLN : amide:sc=-0.00198 X(o=-0.002,f=0) USER MOD Single : A 93 SER OG : rot 171:sc= -0.568 USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 164 N ARG A 12 13.068 -4.732 18.703 1.00 61.43 N ATOM 165 CA ARG A 12 12.932 -4.588 20.147 1.00 21.31 C ATOM 166 C ARG A 12 12.433 -3.193 20.510 1.00 55.24 C ATOM 167 O ARG A 12 11.508 -3.042 21.307 1.00 31.54 O ATOM 168 CB ARG A 12 14.271 -4.857 20.836 1.00 21.23 C ATOM 169 CG ARG A 12 14.759 -6.288 20.682 1.00 71.42 C ATOM 170 CD ARG A 12 13.753 -7.283 21.240 1.00 23.12 C ATOM 171 NE ARG A 12 14.262 -8.652 21.210 1.00 43.43 N ATOM 172 CZ ARG A 12 14.240 -9.420 20.126 1.00 3.12 C ATOM 173 NH1 ARG A 12 13.738 -8.956 18.991 1.00 55.14 N ATOM 174 NH2 ARG A 12 14.723 -10.655 20.177 1.00 35.14 N ATOM 0 HA ARG A 12 12.200 -5.318 20.492 1.00 21.31 H new ATOM 0 HB2 ARG A 12 15.022 -4.180 20.428 1.00 21.23 H new ATOM 0 HB3 ARG A 12 14.177 -4.627 21.897 1.00 21.23 H new ATOM 0 HG2 ARG A 12 14.937 -6.501 19.628 1.00 71.42 H new ATOM 0 HG3 ARG A 12 15.713 -6.406 21.197 1.00 71.42 H new ATOM 0 HD2 ARG A 12 13.505 -7.011 22.266 1.00 23.12 H new ATOM 0 HD3 ARG A 12 12.830 -7.227 20.663 1.00 23.12 H new ATOM 0 HE ARG A 12 14.656 -9.039 22.068 1.00 43.43 H new ATOM 0 HH11 ARG A 12 13.367 -8.007 18.948 1.00 55.14 H new ATOM 0 HH12 ARG A 12 13.723 -9.548 18.160 1.00 55.14 H new ATOM 0 HH21 ARG A 12 15.111 -11.015 21.049 1.00 35.14 H new ATOM 0 HH22 ARG A 12 14.706 -11.244 19.345 1.00 35.14 H new ATOM 188 N GLU A 13 13.052 -2.176 19.918 1.00 54.11 N ATOM 189 CA GLU A 13 12.670 -0.793 20.180 1.00 30.22 C ATOM 190 C GLU A 13 11.310 -0.478 19.564 1.00 42.32 C ATOM 191 O GLU A 13 10.681 0.524 19.902 1.00 12.14 O ATOM 192 CB GLU A 13 13.727 0.165 19.627 1.00 24.34 C ATOM 193 CG GLU A 13 14.447 0.962 20.702 1.00 43.32 C ATOM 194 CD GLU A 13 15.720 1.611 20.193 1.00 60.32 C ATOM 195 OE1 GLU A 13 15.620 2.555 19.382 1.00 44.40 O ATOM 196 OE2 GLU A 13 16.815 1.174 20.604 1.00 31.34 O ATOM 0 H GLU A 13 13.819 -2.284 19.255 1.00 54.11 H new ATOM 0 HA GLU A 13 12.600 -0.661 21.260 1.00 30.22 H new ATOM 0 HB2 GLU A 13 14.460 -0.406 19.057 1.00 24.34 H new ATOM 0 HB3 GLU A 13 13.251 0.856 18.932 1.00 24.34 H new ATOM 0 HG2 GLU A 13 13.779 1.733 21.086 1.00 43.32 H new ATOM 0 HG3 GLU A 13 14.688 0.304 21.537 1.00 43.32 H new ATOM 203 N ALA A 14 10.864 -1.340 18.656 1.00 21.13 N ATOM 204 CA ALA A 14 9.579 -1.155 17.993 1.00 23.13 C ATOM 205 C ALA A 14 8.424 -1.438 18.947 1.00 74.10 C ATOM 206 O ALA A 14 7.514 -0.621 19.097 1.00 42.23 O ATOM 207 CB ALA A 14 9.485 -2.050 16.766 1.00 12.13 C ATOM 0 H ALA A 14 11.374 -2.173 18.363 1.00 21.13 H new ATOM 0 HA ALA A 14 9.507 -0.115 17.676 1.00 23.13 H new ATOM 0 HB1 ALA A 14 8.520 -1.902 16.281 1.00 12.13 H new ATOM 0 HB2 ALA A 14 10.284 -1.798 16.069 1.00 12.13 H new ATOM 0 HB3 ALA A 14 9.583 -3.093 17.068 1.00 12.13 H new ATOM 213 N LEU A 15 8.464 -2.600 19.590 1.00 60.15 N ATOM 214 CA LEU A 15 7.419 -2.992 20.529 1.00 1.42 C ATOM 215 C LEU A 15 7.390 -2.055 21.733 1.00 65.21 C ATOM 216 O LEU A 15 6.330 -1.786 22.299 1.00 51.14 O ATOM 217 CB LEU A 15 7.638 -4.432 20.994 1.00 32.25 C ATOM 218 CG LEU A 15 8.375 -4.604 22.323 1.00 44.11 C ATOM 219 CD1 LEU A 15 7.391 -4.621 23.482 1.00 52.12 C ATOM 220 CD2 LEU A 15 9.208 -5.877 22.310 1.00 65.33 C ATOM 0 H LEU A 15 9.209 -3.287 19.478 1.00 60.15 H new ATOM 0 HA LEU A 15 6.460 -2.925 20.016 1.00 1.42 H new ATOM 0 HB2 LEU A 15 6.666 -4.918 21.075 1.00 32.25 H new ATOM 0 HB3 LEU A 15 8.196 -4.961 20.221 1.00 32.25 H new ATOM 0 HG LEU A 15 9.046 -3.755 22.456 1.00 44.11 H new ATOM 0 HD11 LEU A 15 7.934 -4.744 24.419 1.00 52.12 H new ATOM 0 HD12 LEU A 15 6.838 -3.682 23.504 1.00 52.12 H new ATOM 0 HD13 LEU A 15 6.694 -5.449 23.355 1.00 52.12 H new ATOM 0 HD21 LEU A 15 9.725 -5.983 23.264 1.00 65.33 H new ATOM 0 HD22 LEU A 15 8.556 -6.737 22.153 1.00 65.33 H new ATOM 0 HD23 LEU A 15 9.940 -5.825 21.504 1.00 65.33 H new ATOM 232 N LEU A 16 8.561 -1.560 22.119 1.00 63.15 N ATOM 233 CA LEU A 16 8.671 -0.651 23.254 1.00 11.02 C ATOM 234 C LEU A 16 8.114 0.726 22.906 1.00 71.54 C ATOM 235 O LEU A 16 7.450 1.363 23.723 1.00 23.45 O ATOM 236 CB LEU A 16 10.131 -0.527 23.694 1.00 13.40 C ATOM 237 CG LEU A 16 10.839 -1.835 24.048 1.00 11.31 C ATOM 238 CD1 LEU A 16 12.332 -1.603 24.222 1.00 71.53 C ATOM 239 CD2 LEU A 16 10.241 -2.440 25.310 1.00 71.44 C ATOM 0 H LEU A 16 9.448 -1.773 21.662 1.00 63.15 H new ATOM 0 HA LEU A 16 8.084 -1.063 24.075 1.00 11.02 H new ATOM 0 HB2 LEU A 16 10.690 -0.039 22.895 1.00 13.40 H new ATOM 0 HB3 LEU A 16 10.173 0.132 24.561 1.00 13.40 H new ATOM 0 HG LEU A 16 10.694 -2.538 23.228 1.00 11.31 H new ATOM 0 HD11 LEU A 16 12.820 -2.545 24.474 1.00 71.53 H new ATOM 0 HD12 LEU A 16 12.750 -1.214 23.294 1.00 71.53 H new ATOM 0 HD13 LEU A 16 12.497 -0.883 25.024 1.00 71.53 H new ATOM 0 HD21 LEU A 16 10.757 -3.370 25.547 1.00 71.44 H new ATOM 0 HD22 LEU A 16 10.355 -1.741 26.138 1.00 71.44 H new ATOM 0 HD23 LEU A 16 9.182 -2.643 25.150 1.00 71.44 H new ATOM 251 N TRP A 17 8.387 1.177 21.687 1.00 74.33 N ATOM 252 CA TRP A 17 7.911 2.477 21.229 1.00 14.20 C ATOM 253 C TRP A 17 6.416 2.435 20.929 1.00 2.23 C ATOM 254 O TRP A 17 5.715 3.436 21.080 1.00 65.50 O ATOM 255 CB TRP A 17 8.681 2.916 19.983 1.00 62.44 C ATOM 256 CG TRP A 17 8.711 4.402 19.795 1.00 2.31 C ATOM 257 CD1 TRP A 17 9.389 5.311 20.557 1.00 65.24 C ATOM 258 CD2 TRP A 17 8.032 5.152 18.782 1.00 1.21 C ATOM 259 NE1 TRP A 17 9.173 6.580 20.078 1.00 53.41 N ATOM 260 CE2 TRP A 17 8.344 6.510 18.989 1.00 2.13 C ATOM 261 CE3 TRP A 17 7.192 4.809 17.719 1.00 25.22 C ATOM 262 CZ2 TRP A 17 7.845 7.521 18.173 1.00 14.41 C ATOM 263 CZ3 TRP A 17 6.697 5.814 16.910 1.00 21.32 C ATOM 264 CH2 TRP A 17 7.025 7.157 17.140 1.00 72.41 C ATOM 0 H TRP A 17 8.935 0.662 20.998 1.00 74.33 H new ATOM 0 HA TRP A 17 8.083 3.200 22.027 1.00 14.20 H new ATOM 0 HB2 TRP A 17 9.704 2.545 20.047 1.00 62.44 H new ATOM 0 HB3 TRP A 17 8.229 2.455 19.105 1.00 62.44 H new ATOM 0 HD1 TRP A 17 10.004 5.068 21.411 1.00 65.24 H new ATOM 0 HE1 TRP A 17 9.566 7.436 20.469 1.00 53.41 H new ATOM 0 HE3 TRP A 17 6.934 3.777 17.533 1.00 25.22 H new ATOM 0 HZ2 TRP A 17 8.096 8.557 18.349 1.00 14.41 H new ATOM 0 HZ3 TRP A 17 6.046 5.560 16.086 1.00 21.32 H new ATOM 0 HH2 TRP A 17 6.623 7.919 16.489 1.00 72.41 H new ATOM 275 N ALA A 18 5.935 1.272 20.505 1.00 73.43 N ATOM 276 CA ALA A 18 4.523 1.100 20.186 1.00 33.33 C ATOM 277 C ALA A 18 3.679 1.030 21.454 1.00 35.13 C ATOM 278 O ALA A 18 2.790 1.856 21.667 1.00 1.13 O ATOM 279 CB ALA A 18 4.320 -0.152 19.345 1.00 11.13 C ATOM 0 H ALA A 18 6.502 0.434 20.374 1.00 73.43 H new ATOM 0 HA ALA A 18 4.198 1.967 19.611 1.00 33.33 H new ATOM 0 HB1 ALA A 18 3.261 -0.268 19.114 1.00 11.13 H new ATOM 0 HB2 ALA A 18 4.886 -0.063 18.418 1.00 11.13 H new ATOM 0 HB3 ALA A 18 4.668 -1.023 19.900 1.00 11.13 H new ATOM 285 N LEU A 19 3.960 0.039 22.293 1.00 5.22 N ATOM 286 CA LEU A 19 3.226 -0.139 23.541 1.00 22.01 C ATOM 287 C LEU A 19 3.170 1.165 24.331 1.00 72.23 C ATOM 288 O LEU A 19 2.233 1.400 25.093 1.00 13.23 O ATOM 289 CB LEU A 19 3.878 -1.233 24.388 1.00 64.53 C ATOM 290 CG LEU A 19 5.180 -0.851 25.092 1.00 3.43 C ATOM 291 CD1 LEU A 19 4.888 -0.121 26.394 1.00 21.23 C ATOM 292 CD2 LEU A 19 6.030 -2.086 25.350 1.00 24.23 C ATOM 0 H LEU A 19 4.691 -0.654 22.132 1.00 5.22 H new ATOM 0 HA LEU A 19 2.207 -0.437 23.294 1.00 22.01 H new ATOM 0 HB2 LEU A 19 3.161 -1.555 25.143 1.00 64.53 H new ATOM 0 HB3 LEU A 19 4.074 -2.093 23.747 1.00 64.53 H new ATOM 0 HG LEU A 19 5.739 -0.180 24.440 1.00 3.43 H new ATOM 0 HD11 LEU A 19 5.826 0.143 26.881 1.00 21.23 H new ATOM 0 HD12 LEU A 19 4.321 0.786 26.183 1.00 21.23 H new ATOM 0 HD13 LEU A 19 4.307 -0.768 27.051 1.00 21.23 H new ATOM 0 HD21 LEU A 19 6.953 -1.794 25.852 1.00 24.23 H new ATOM 0 HD22 LEU A 19 5.478 -2.782 25.981 1.00 24.23 H new ATOM 0 HD23 LEU A 19 6.269 -2.568 24.402 1.00 24.23 H new ATOM 304 N SER A 20 4.178 2.010 24.141 1.00 61.23 N ATOM 305 CA SER A 20 4.244 3.290 24.836 1.00 23.44 C ATOM 306 C SER A 20 3.489 4.367 24.065 1.00 52.25 C ATOM 307 O SER A 20 3.106 5.395 24.625 1.00 63.44 O ATOM 308 CB SER A 20 5.701 3.713 25.032 1.00 44.22 C ATOM 309 OG SER A 20 5.809 4.732 26.011 1.00 25.43 O ATOM 0 H SER A 20 4.960 1.831 23.511 1.00 61.23 H new ATOM 0 HA SER A 20 3.773 3.170 25.812 1.00 23.44 H new ATOM 0 HB2 SER A 20 6.296 2.851 25.333 1.00 44.22 H new ATOM 0 HB3 SER A 20 6.110 4.068 24.086 1.00 44.22 H new ATOM 0 HG SER A 20 6.750 4.984 26.119 1.00 25.43 H new ATOM 315 N ASP A 21 3.278 4.124 22.776 1.00 52.44 N ATOM 316 CA ASP A 21 2.567 5.072 21.925 1.00 2.54 C ATOM 317 C ASP A 21 1.080 5.096 22.263 1.00 73.03 C ATOM 318 O ASP A 21 0.361 6.021 21.883 1.00 14.55 O ATOM 319 CB ASP A 21 2.763 4.714 20.451 1.00 0.43 C ATOM 320 CG ASP A 21 3.504 5.794 19.687 1.00 71.22 C ATOM 321 OD1 ASP A 21 4.747 5.854 19.799 1.00 75.02 O ATOM 322 OD2 ASP A 21 2.841 6.578 18.976 1.00 64.31 O ATOM 0 H ASP A 21 3.589 3.279 22.297 1.00 52.44 H new ATOM 0 HA ASP A 21 2.978 6.065 22.107 1.00 2.54 H new ATOM 0 HB2 ASP A 21 3.315 3.777 20.378 1.00 0.43 H new ATOM 0 HB3 ASP A 21 1.790 4.548 19.988 1.00 0.43 H new ATOM 327 N LEU A 22 0.624 4.072 22.976 1.00 11.32 N ATOM 328 CA LEU A 22 -0.779 3.974 23.364 1.00 1.42 C ATOM 329 C LEU A 22 -0.960 4.310 24.841 1.00 31.32 C ATOM 330 O LEU A 22 -0.023 4.202 25.631 1.00 43.11 O ATOM 331 CB LEU A 22 -1.310 2.568 23.080 1.00 52.53 C ATOM 332 CG LEU A 22 -0.294 1.431 23.194 1.00 55.31 C ATOM 333 CD1 LEU A 22 -0.872 0.279 24.001 1.00 23.03 C ATOM 334 CD2 LEU A 22 0.132 0.956 21.812 1.00 13.25 C ATOM 0 H LEU A 22 1.205 3.298 23.297 1.00 11.32 H new ATOM 0 HA LEU A 22 -1.345 4.695 22.774 1.00 1.42 H new ATOM 0 HB2 LEU A 22 -2.131 2.365 23.768 1.00 52.53 H new ATOM 0 HB3 LEU A 22 -1.728 2.556 22.073 1.00 52.53 H new ATOM 0 HG LEU A 22 0.587 1.807 23.714 1.00 55.31 H new ATOM 0 HD11 LEU A 22 -0.135 -0.521 24.072 1.00 23.03 H new ATOM 0 HD12 LEU A 22 -1.127 0.628 25.002 1.00 23.03 H new ATOM 0 HD13 LEU A 22 -1.769 -0.096 23.508 1.00 23.03 H new ATOM 0 HD21 LEU A 22 0.855 0.147 21.912 1.00 13.25 H new ATOM 0 HD22 LEU A 22 -0.740 0.597 21.266 1.00 13.25 H new ATOM 0 HD23 LEU A 22 0.587 1.783 21.267 1.00 13.25 H new ATOM 346 N GLU A 23 -2.173 4.714 25.207 1.00 44.35 N ATOM 347 CA GLU A 23 -2.476 5.064 26.589 1.00 31.43 C ATOM 348 C GLU A 23 -2.456 3.825 27.480 1.00 34.13 C ATOM 349 O GLU A 23 -2.610 2.702 27.002 1.00 65.33 O ATOM 350 CB GLU A 23 -3.842 5.747 26.678 1.00 51.41 C ATOM 351 CG GLU A 23 -3.858 7.152 26.099 1.00 12.24 C ATOM 352 CD GLU A 23 -5.262 7.646 25.806 1.00 5.42 C ATOM 353 OE1 GLU A 23 -6.118 6.816 25.438 1.00 55.54 O ATOM 354 OE2 GLU A 23 -5.502 8.864 25.946 1.00 33.10 O ATOM 0 H GLU A 23 -2.961 4.807 24.566 1.00 44.35 H new ATOM 0 HA GLU A 23 -1.709 5.755 26.939 1.00 31.43 H new ATOM 0 HB2 GLU A 23 -4.578 5.138 26.153 1.00 51.41 H new ATOM 0 HB3 GLU A 23 -4.150 5.790 27.723 1.00 51.41 H new ATOM 0 HG2 GLU A 23 -3.375 7.835 26.798 1.00 12.24 H new ATOM 0 HG3 GLU A 23 -3.272 7.169 25.180 1.00 12.24 H new ATOM 361 N GLU A 24 -2.266 4.040 28.778 1.00 32.34 N ATOM 362 CA GLU A 24 -2.225 2.941 29.736 1.00 61.42 C ATOM 363 C GLU A 24 -3.579 2.242 29.821 1.00 61.24 C ATOM 364 O GLU A 24 -3.652 1.032 30.028 1.00 35.43 O ATOM 365 CB GLU A 24 -1.816 3.454 31.118 1.00 12.10 C ATOM 366 CG GLU A 24 -0.891 4.658 31.071 1.00 42.21 C ATOM 367 CD GLU A 24 -1.632 5.971 31.235 1.00 73.32 C ATOM 368 OE1 GLU A 24 -2.570 6.023 32.058 1.00 75.53 O ATOM 369 OE2 GLU A 24 -1.275 6.945 30.541 1.00 52.32 O ATOM 0 H GLU A 24 -2.138 4.964 29.190 1.00 32.34 H new ATOM 0 HA GLU A 24 -1.484 2.220 29.390 1.00 61.42 H new ATOM 0 HB2 GLU A 24 -2.713 3.717 31.679 1.00 12.10 H new ATOM 0 HB3 GLU A 24 -1.324 2.649 31.664 1.00 12.10 H new ATOM 0 HG2 GLU A 24 -0.142 4.567 31.858 1.00 42.21 H new ATOM 0 HG3 GLU A 24 -0.356 4.663 30.121 1.00 42.21 H new ATOM 376 N ASN A 25 -4.648 3.015 29.659 1.00 71.52 N ATOM 377 CA ASN A 25 -6.000 2.471 29.718 1.00 31.20 C ATOM 378 C ASN A 25 -6.335 1.706 28.441 1.00 55.40 C ATOM 379 O ASN A 25 -7.471 1.271 28.246 1.00 45.54 O ATOM 380 CB ASN A 25 -7.015 3.595 29.934 1.00 32.14 C ATOM 381 CG ASN A 25 -7.469 3.694 31.378 1.00 1.30 C ATOM 382 OD1 ASN A 25 -6.877 3.086 32.270 1.00 72.44 O ATOM 383 ND2 ASN A 25 -8.525 4.464 31.615 1.00 44.45 N ATOM 0 H ASN A 25 -4.604 4.019 29.486 1.00 71.52 H new ATOM 0 HA ASN A 25 -6.050 1.779 30.558 1.00 31.20 H new ATOM 0 HB2 ASN A 25 -6.573 4.544 29.629 1.00 32.14 H new ATOM 0 HB3 ASN A 25 -7.881 3.427 29.294 1.00 32.14 H new ATOM 0 HD21 ASN A 25 -8.876 4.570 32.567 1.00 44.45 H new ATOM 0 HD22 ASN A 25 -8.985 4.950 30.845 1.00 44.45 H new ATOM 390 N ASP A 26 -5.341 1.546 27.575 1.00 5.35 N ATOM 391 CA ASP A 26 -5.529 0.833 26.318 1.00 63.14 C ATOM 392 C ASP A 26 -4.750 -0.479 26.315 1.00 42.21 C ATOM 393 O ASP A 26 -5.320 -1.551 26.115 1.00 74.34 O ATOM 394 CB ASP A 26 -5.087 1.705 25.141 1.00 34.11 C ATOM 395 CG ASP A 26 -5.976 2.919 24.955 1.00 72.23 C ATOM 396 OD1 ASP A 26 -6.578 3.373 25.951 1.00 64.22 O ATOM 397 OD2 ASP A 26 -6.070 3.415 23.813 1.00 42.31 O ATOM 0 H ASP A 26 -4.396 1.901 27.721 1.00 5.35 H new ATOM 0 HA ASP A 26 -6.590 0.605 26.214 1.00 63.14 H new ATOM 0 HB2 ASP A 26 -4.059 2.032 25.300 1.00 34.11 H new ATOM 0 HB3 ASP A 26 -5.094 1.109 24.228 1.00 34.11 H new ATOM 402 N PHE A 27 -3.443 -0.386 26.538 1.00 51.53 N ATOM 403 CA PHE A 27 -2.585 -1.564 26.559 1.00 71.51 C ATOM 404 C PHE A 27 -2.988 -2.510 27.687 1.00 43.11 C ATOM 405 O PHE A 27 -2.959 -3.731 27.530 1.00 41.32 O ATOM 406 CB PHE A 27 -1.120 -1.153 26.722 1.00 55.42 C ATOM 407 CG PHE A 27 -0.495 -1.654 27.992 1.00 44.31 C ATOM 408 CD1 PHE A 27 -0.558 -0.902 29.154 1.00 24.23 C ATOM 409 CD2 PHE A 27 0.156 -2.876 28.024 1.00 63.44 C ATOM 410 CE1 PHE A 27 0.018 -1.361 30.324 1.00 2.20 C ATOM 411 CE2 PHE A 27 0.734 -3.340 29.191 1.00 73.44 C ATOM 412 CZ PHE A 27 0.664 -2.582 30.343 1.00 54.24 C ATOM 0 H PHE A 27 -2.955 0.494 26.707 1.00 51.53 H new ATOM 0 HA PHE A 27 -2.705 -2.086 25.610 1.00 71.51 H new ATOM 0 HB2 PHE A 27 -0.549 -1.528 25.873 1.00 55.42 H new ATOM 0 HB3 PHE A 27 -1.051 -0.065 26.697 1.00 55.42 H new ATOM 0 HD1 PHE A 27 -1.062 0.053 29.146 1.00 24.23 H new ATOM 0 HD2 PHE A 27 0.213 -3.474 27.126 1.00 63.44 H new ATOM 0 HE1 PHE A 27 -0.037 -0.765 31.223 1.00 2.20 H new ATOM 0 HE2 PHE A 27 1.240 -4.294 29.202 1.00 73.44 H new ATOM 0 HZ PHE A 27 1.113 -2.943 31.257 1.00 54.24 H new ATOM 422 N LYS A 28 -3.363 -1.937 28.826 1.00 43.25 N ATOM 423 CA LYS A 28 -3.772 -2.726 29.981 1.00 13.12 C ATOM 424 C LYS A 28 -5.044 -3.512 29.680 1.00 14.12 C ATOM 425 O LYS A 28 -5.165 -4.682 30.044 1.00 3.23 O ATOM 426 CB LYS A 28 -3.996 -1.817 31.192 1.00 52.22 C ATOM 427 CG LYS A 28 -4.761 -2.485 32.321 1.00 21.32 C ATOM 428 CD LYS A 28 -3.997 -3.671 32.886 1.00 33.32 C ATOM 429 CE LYS A 28 -3.799 -3.542 34.389 1.00 40.13 C ATOM 430 NZ LYS A 28 -2.776 -2.514 34.727 1.00 64.14 N ATOM 0 H LYS A 28 -3.392 -0.928 28.973 1.00 43.25 H new ATOM 0 HA LYS A 28 -2.974 -3.433 30.208 1.00 13.12 H new ATOM 0 HB2 LYS A 28 -3.029 -1.482 31.568 1.00 52.22 H new ATOM 0 HB3 LYS A 28 -4.539 -0.928 30.873 1.00 52.22 H new ATOM 0 HG2 LYS A 28 -4.948 -1.761 33.114 1.00 21.32 H new ATOM 0 HG3 LYS A 28 -5.733 -2.817 31.957 1.00 21.32 H new ATOM 0 HD2 LYS A 28 -4.538 -4.591 32.667 1.00 33.32 H new ATOM 0 HD3 LYS A 28 -3.027 -3.747 32.395 1.00 33.32 H new ATOM 0 HE2 LYS A 28 -4.747 -3.280 34.859 1.00 40.13 H new ATOM 0 HE3 LYS A 28 -3.496 -4.505 34.799 1.00 40.13 H new ATOM 0 HZ1 LYS A 28 -2.670 -2.456 35.760 1.00 64.14 H new ATOM 0 HZ2 LYS A 28 -1.865 -2.777 34.300 1.00 64.14 H new ATOM 0 HZ3 LYS A 28 -3.077 -1.590 34.358 1.00 64.14 H new ATOM 444 N LYS A 29 -5.992 -2.862 29.012 1.00 24.31 N ATOM 445 CA LYS A 29 -7.254 -3.500 28.659 1.00 71.50 C ATOM 446 C LYS A 29 -7.014 -4.774 27.855 1.00 22.31 C ATOM 447 O LYS A 29 -7.764 -5.744 27.970 1.00 34.21 O ATOM 448 CB LYS A 29 -8.130 -2.536 27.856 1.00 1.22 C ATOM 449 CG LYS A 29 -9.362 -2.064 28.608 1.00 11.34 C ATOM 450 CD LYS A 29 -8.988 -1.269 29.849 1.00 71.44 C ATOM 451 CE LYS A 29 -10.022 -0.197 30.156 1.00 4.23 C ATOM 452 NZ LYS A 29 -11.005 -0.651 31.179 1.00 45.42 N ATOM 0 H LYS A 29 -5.909 -1.893 28.704 1.00 24.31 H new ATOM 0 HA LYS A 29 -7.768 -3.765 29.583 1.00 71.50 H new ATOM 0 HB2 LYS A 29 -7.534 -1.669 27.571 1.00 1.22 H new ATOM 0 HB3 LYS A 29 -8.443 -3.025 26.934 1.00 1.22 H new ATOM 0 HG2 LYS A 29 -9.976 -1.448 27.951 1.00 11.34 H new ATOM 0 HG3 LYS A 29 -9.966 -2.925 28.895 1.00 11.34 H new ATOM 0 HD2 LYS A 29 -8.897 -1.943 30.701 1.00 71.44 H new ATOM 0 HD3 LYS A 29 -8.013 -0.805 29.705 1.00 71.44 H new ATOM 0 HE2 LYS A 29 -9.518 0.702 30.510 1.00 4.23 H new ATOM 0 HE3 LYS A 29 -10.549 0.072 29.241 1.00 4.23 H new ATOM 0 HZ1 LYS A 29 -11.693 0.108 31.360 1.00 45.42 H new ATOM 0 HZ2 LYS A 29 -11.504 -1.494 30.831 1.00 45.42 H new ATOM 0 HZ3 LYS A 29 -10.506 -0.884 32.061 1.00 45.42 H new ATOM 466 N LEU A 30 -5.963 -4.766 27.043 1.00 62.14 N ATOM 467 CA LEU A 30 -5.622 -5.922 26.220 1.00 34.03 C ATOM 468 C LEU A 30 -4.938 -7.000 27.054 1.00 65.42 C ATOM 469 O LEU A 30 -5.376 -8.150 27.083 1.00 71.54 O ATOM 470 CB LEU A 30 -4.713 -5.501 25.065 1.00 54.55 C ATOM 471 CG LEU A 30 -4.871 -4.060 24.577 1.00 14.23 C ATOM 472 CD1 LEU A 30 -3.960 -3.795 23.389 1.00 20.10 C ATOM 473 CD2 LEU A 30 -6.321 -3.776 24.213 1.00 35.01 C ATOM 0 H LEU A 30 -5.332 -3.972 26.936 1.00 62.14 H new ATOM 0 HA LEU A 30 -6.546 -6.334 25.814 1.00 34.03 H new ATOM 0 HB2 LEU A 30 -3.677 -5.648 25.372 1.00 54.55 H new ATOM 0 HB3 LEU A 30 -4.894 -6.170 24.224 1.00 54.55 H new ATOM 0 HG LEU A 30 -4.582 -3.390 25.386 1.00 14.23 H new ATOM 0 HD11 LEU A 30 -4.087 -2.765 23.056 1.00 20.10 H new ATOM 0 HD12 LEU A 30 -2.923 -3.957 23.683 1.00 20.10 H new ATOM 0 HD13 LEU A 30 -4.217 -4.473 22.575 1.00 20.10 H new ATOM 0 HD21 LEU A 30 -6.415 -2.746 23.868 1.00 35.01 H new ATOM 0 HD22 LEU A 30 -6.637 -4.454 23.420 1.00 35.01 H new ATOM 0 HD23 LEU A 30 -6.952 -3.924 25.090 1.00 35.01 H new ATOM 485 N LYS A 31 -3.860 -6.621 27.733 1.00 54.11 N ATOM 486 CA LYS A 31 -3.116 -7.553 28.571 1.00 63.43 C ATOM 487 C LYS A 31 -4.009 -8.139 29.660 1.00 62.03 C ATOM 488 O LYS A 31 -3.759 -9.237 30.157 1.00 32.23 O ATOM 489 CB LYS A 31 -1.913 -6.852 29.205 1.00 24.03 C ATOM 490 CG LYS A 31 -0.966 -6.232 28.192 1.00 11.22 C ATOM 491 CD LYS A 31 -0.342 -7.286 27.294 1.00 71.34 C ATOM 492 CE LYS A 31 0.706 -6.683 26.371 1.00 54.04 C ATOM 493 NZ LYS A 31 0.965 -7.547 25.186 1.00 71.20 N ATOM 0 H LYS A 31 -3.482 -5.674 27.719 1.00 54.11 H new ATOM 0 HA LYS A 31 -2.763 -8.368 27.939 1.00 63.43 H new ATOM 0 HB2 LYS A 31 -2.271 -6.074 29.879 1.00 24.03 H new ATOM 0 HB3 LYS A 31 -1.362 -7.571 29.812 1.00 24.03 H new ATOM 0 HG2 LYS A 31 -1.507 -5.508 27.583 1.00 11.22 H new ATOM 0 HG3 LYS A 31 -0.180 -5.686 28.714 1.00 11.22 H new ATOM 0 HD2 LYS A 31 0.115 -8.063 27.907 1.00 71.34 H new ATOM 0 HD3 LYS A 31 -1.120 -7.765 26.699 1.00 71.34 H new ATOM 0 HE2 LYS A 31 0.374 -5.700 26.038 1.00 54.04 H new ATOM 0 HE3 LYS A 31 1.634 -6.536 26.923 1.00 54.04 H new ATOM 0 HZ1 LYS A 31 1.949 -7.422 24.874 1.00 71.20 H new ATOM 0 HZ2 LYS A 31 0.807 -8.543 25.441 1.00 71.20 H new ATOM 0 HZ3 LYS A 31 0.320 -7.281 24.415 1.00 71.20 H new ATOM 507 N PHE A 32 -5.051 -7.400 30.025 1.00 52.03 N ATOM 508 CA PHE A 32 -5.982 -7.847 31.055 1.00 41.44 C ATOM 509 C PHE A 32 -6.857 -8.986 30.540 1.00 51.42 C ATOM 510 O PHE A 32 -6.970 -10.033 31.177 1.00 61.10 O ATOM 511 CB PHE A 32 -6.860 -6.683 31.518 1.00 55.55 C ATOM 512 CG PHE A 32 -7.717 -7.014 32.706 1.00 53.22 C ATOM 513 CD1 PHE A 32 -8.870 -7.768 32.557 1.00 61.23 C ATOM 514 CD2 PHE A 32 -7.370 -6.570 33.972 1.00 74.41 C ATOM 515 CE1 PHE A 32 -9.661 -8.075 33.648 1.00 25.22 C ATOM 516 CE2 PHE A 32 -8.157 -6.875 35.067 1.00 43.41 C ATOM 517 CZ PHE A 32 -9.304 -7.627 34.905 1.00 42.22 C ATOM 0 H PHE A 32 -5.272 -6.489 29.623 1.00 52.03 H new ATOM 0 HA PHE A 32 -5.401 -8.213 31.901 1.00 41.44 H new ATOM 0 HB2 PHE A 32 -6.223 -5.834 31.765 1.00 55.55 H new ATOM 0 HB3 PHE A 32 -7.501 -6.371 30.693 1.00 55.55 H new ATOM 0 HD1 PHE A 32 -9.154 -8.120 31.576 1.00 61.23 H new ATOM 0 HD2 PHE A 32 -6.475 -5.980 34.105 1.00 74.41 H new ATOM 0 HE1 PHE A 32 -10.557 -8.664 33.518 1.00 25.22 H new ATOM 0 HE2 PHE A 32 -7.875 -6.525 36.049 1.00 43.41 H new ATOM 0 HZ PHE A 32 -9.921 -7.864 35.759 1.00 42.22 H new ATOM 527 N TYR A 33 -7.475 -8.773 29.383 1.00 2.43 N ATOM 528 CA TYR A 33 -8.343 -9.779 28.784 1.00 65.25 C ATOM 529 C TYR A 33 -7.582 -10.611 27.755 1.00 53.21 C ATOM 530 O TYR A 33 -7.550 -11.840 27.833 1.00 14.42 O ATOM 531 CB TYR A 33 -9.552 -9.113 28.124 1.00 25.24 C ATOM 532 CG TYR A 33 -10.870 -9.759 28.486 1.00 52.41 C ATOM 533 CD1 TYR A 33 -11.256 -9.900 29.813 1.00 10.44 C ATOM 534 CD2 TYR A 33 -11.730 -10.228 27.501 1.00 62.33 C ATOM 535 CE1 TYR A 33 -12.460 -10.489 30.149 1.00 64.23 C ATOM 536 CE2 TYR A 33 -12.936 -10.818 27.827 1.00 42.24 C ATOM 537 CZ TYR A 33 -13.296 -10.946 29.152 1.00 71.22 C ATOM 538 OH TYR A 33 -14.496 -11.534 29.481 1.00 70.24 O ATOM 0 H TYR A 33 -7.391 -7.913 28.842 1.00 2.43 H new ATOM 0 HA TYR A 33 -8.690 -10.442 29.577 1.00 65.25 H new ATOM 0 HB2 TYR A 33 -9.580 -8.062 28.413 1.00 25.24 H new ATOM 0 HB3 TYR A 33 -9.427 -9.143 27.042 1.00 25.24 H new ATOM 0 HD1 TYR A 33 -10.603 -9.543 30.596 1.00 10.44 H new ATOM 0 HD2 TYR A 33 -11.451 -10.130 26.462 1.00 62.33 H new ATOM 0 HE1 TYR A 33 -12.745 -10.591 31.186 1.00 64.23 H new ATOM 0 HE2 TYR A 33 -13.593 -11.177 27.049 1.00 42.24 H new ATOM 0 HH TYR A 33 -14.965 -11.799 28.663 1.00 70.24 H new ATOM 548 N LEU A 34 -6.970 -9.932 26.791 1.00 53.11 N ATOM 549 CA LEU A 34 -6.208 -10.606 25.745 1.00 34.14 C ATOM 550 C LEU A 34 -5.193 -11.572 26.348 1.00 11.32 C ATOM 551 O LEU A 34 -5.220 -12.770 26.068 1.00 24.35 O ATOM 552 CB LEU A 34 -5.493 -9.579 24.866 1.00 61.43 C ATOM 553 CG LEU A 34 -5.610 -9.791 23.356 1.00 72.21 C ATOM 554 CD1 LEU A 34 -6.930 -9.239 22.840 1.00 0.23 C ATOM 555 CD2 LEU A 34 -4.439 -9.141 22.634 1.00 72.14 C ATOM 0 H LEU A 34 -6.986 -8.915 26.712 1.00 53.11 H new ATOM 0 HA LEU A 34 -6.905 -11.177 25.132 1.00 34.14 H new ATOM 0 HB2 LEU A 34 -5.884 -8.590 25.105 1.00 61.43 H new ATOM 0 HB3 LEU A 34 -4.436 -9.576 25.132 1.00 61.43 H new ATOM 0 HG LEU A 34 -5.585 -10.862 23.156 1.00 72.21 H new ATOM 0 HD11 LEU A 34 -6.995 -9.399 21.764 1.00 0.23 H new ATOM 0 HD12 LEU A 34 -7.756 -9.751 23.334 1.00 0.23 H new ATOM 0 HD13 LEU A 34 -6.986 -8.171 23.052 1.00 0.23 H new ATOM 0 HD21 LEU A 34 -4.539 -9.302 21.561 1.00 72.14 H new ATOM 0 HD22 LEU A 34 -4.432 -8.071 22.841 1.00 72.14 H new ATOM 0 HD23 LEU A 34 -3.506 -9.584 22.982 1.00 72.14 H new ATOM 567 N ARG A 35 -4.301 -11.042 27.178 1.00 4.32 N ATOM 568 CA ARG A 35 -3.277 -11.857 27.822 1.00 52.24 C ATOM 569 C ARG A 35 -3.911 -12.934 28.697 1.00 0.11 C ATOM 570 O ARG A 35 -3.442 -14.072 28.736 1.00 0.52 O ATOM 571 CB ARG A 35 -2.351 -10.978 28.665 1.00 32.51 C ATOM 572 CG ARG A 35 -0.913 -10.964 28.175 1.00 25.01 C ATOM 573 CD ARG A 35 -0.109 -12.108 28.773 1.00 60.54 C ATOM 574 NE ARG A 35 1.011 -11.629 29.578 1.00 43.15 N ATOM 575 CZ ARG A 35 0.920 -11.355 30.874 1.00 5.21 C ATOM 576 NH1 ARG A 35 -0.233 -11.513 31.509 1.00 3.52 N ATOM 577 NH2 ARG A 35 1.985 -10.922 31.538 1.00 33.52 N ATOM 0 H ARG A 35 -4.266 -10.052 27.421 1.00 4.32 H new ATOM 0 HA ARG A 35 -2.692 -12.345 27.042 1.00 52.24 H new ATOM 0 HB2 ARG A 35 -2.735 -9.958 28.667 1.00 32.51 H new ATOM 0 HB3 ARG A 35 -2.371 -11.329 29.697 1.00 32.51 H new ATOM 0 HG2 ARG A 35 -0.897 -11.037 27.088 1.00 25.01 H new ATOM 0 HG3 ARG A 35 -0.447 -10.014 28.438 1.00 25.01 H new ATOM 0 HD2 ARG A 35 -0.761 -12.725 29.391 1.00 60.54 H new ATOM 0 HD3 ARG A 35 0.267 -12.744 27.972 1.00 60.54 H new ATOM 0 HE ARG A 35 1.913 -11.498 29.120 1.00 43.15 H new ATOM 0 HH11 ARG A 35 -1.053 -11.846 31.002 1.00 3.52 H new ATOM 0 HH12 ARG A 35 -0.300 -11.302 32.505 1.00 3.52 H new ATOM 0 HH21 ARG A 35 2.874 -10.800 31.053 1.00 33.52 H new ATOM 0 HH22 ARG A 35 1.915 -10.712 32.534 1.00 33.52 H new ATOM 591 N ASP A 36 -4.978 -12.567 29.398 1.00 72.02 N ATOM 592 CA ASP A 36 -5.677 -13.502 30.273 1.00 41.45 C ATOM 593 C ASP A 36 -5.944 -14.821 29.555 1.00 34.01 C ATOM 594 O ASP A 36 -5.649 -15.895 30.079 1.00 3.51 O ATOM 595 CB ASP A 36 -6.994 -12.893 30.756 1.00 74.32 C ATOM 596 CG ASP A 36 -6.986 -12.601 32.243 1.00 20.35 C ATOM 597 OD1 ASP A 36 -6.080 -13.103 32.942 1.00 71.11 O ATOM 598 OD2 ASP A 36 -7.885 -11.870 32.709 1.00 23.33 O ATOM 0 H ASP A 36 -5.378 -11.629 29.378 1.00 72.02 H new ATOM 0 HA ASP A 36 -5.041 -13.701 31.135 1.00 41.45 H new ATOM 0 HB2 ASP A 36 -7.186 -11.970 30.209 1.00 74.32 H new ATOM 0 HB3 ASP A 36 -7.812 -13.576 30.527 1.00 74.32 H new ATOM 603 N MET A 37 -6.507 -14.732 28.354 1.00 24.32 N ATOM 604 CA MET A 37 -6.814 -15.920 27.565 1.00 1.41 C ATOM 605 C MET A 37 -5.629 -16.310 26.687 1.00 33.31 C ATOM 606 O MET A 37 -5.054 -17.388 26.845 1.00 11.23 O ATOM 607 CB MET A 37 -8.049 -15.675 26.696 1.00 10.01 C ATOM 608 CG MET A 37 -8.890 -16.921 26.470 1.00 24.22 C ATOM 609 SD MET A 37 -9.912 -16.810 24.989 1.00 34.15 S ATOM 610 CE MET A 37 -11.067 -18.149 25.274 1.00 32.34 C ATOM 0 H MET A 37 -6.760 -13.851 27.906 1.00 24.32 H new ATOM 0 HA MET A 37 -7.019 -16.740 28.253 1.00 1.41 H new ATOM 0 HB2 MET A 37 -8.667 -14.910 27.165 1.00 10.01 H new ATOM 0 HB3 MET A 37 -7.731 -15.281 25.731 1.00 10.01 H new ATOM 0 HG2 MET A 37 -8.234 -17.788 26.390 1.00 24.22 H new ATOM 0 HG3 MET A 37 -9.530 -17.085 27.337 1.00 24.22 H new ATOM 0 HE1 MET A 37 -11.767 -18.209 24.441 1.00 32.34 H new ATOM 0 HE2 MET A 37 -10.521 -19.089 25.357 1.00 32.34 H new ATOM 0 HE3 MET A 37 -11.616 -17.965 26.197 1.00 32.34 H new ATOM 620 N THR A 38 -5.269 -15.428 25.760 1.00 22.11 N ATOM 621 CA THR A 38 -4.154 -15.682 24.856 1.00 10.42 C ATOM 622 C THR A 38 -2.969 -16.285 25.601 1.00 63.02 C ATOM 623 O THR A 38 -2.310 -17.199 25.103 1.00 21.33 O ATOM 624 CB THR A 38 -3.699 -14.391 24.150 1.00 42.32 C ATOM 625 OG1 THR A 38 -3.126 -13.487 25.102 1.00 75.02 O ATOM 626 CG2 THR A 38 -4.867 -13.719 23.444 1.00 12.03 C ATOM 0 H THR A 38 -5.733 -14.531 25.616 1.00 22.11 H new ATOM 0 HA THR A 38 -4.508 -16.391 24.108 1.00 10.42 H new ATOM 0 HB THR A 38 -2.949 -14.656 23.405 1.00 42.32 H new ATOM 0 HG1 THR A 38 -3.740 -13.375 25.858 1.00 75.02 H new ATOM 0 HG21 THR A 38 -4.521 -12.810 22.953 1.00 12.03 H new ATOM 0 HG22 THR A 38 -5.282 -14.398 22.699 1.00 12.03 H new ATOM 0 HG23 THR A 38 -5.637 -13.467 24.173 1.00 12.03 H new ATOM 634 N LEU A 39 -2.702 -15.769 26.796 1.00 60.34 N ATOM 635 CA LEU A 39 -1.595 -16.258 27.610 1.00 31.33 C ATOM 636 C LEU A 39 -2.083 -16.690 28.989 1.00 12.05 C ATOM 637 O LEU A 39 -2.633 -17.779 29.152 1.00 62.45 O ATOM 638 CB LEU A 39 -0.523 -15.176 27.752 1.00 71.32 C ATOM 639 CG LEU A 39 0.336 -14.916 26.514 1.00 74.34 C ATOM 640 CD1 LEU A 39 -0.269 -13.806 25.668 1.00 30.21 C ATOM 641 CD2 LEU A 39 1.761 -14.566 26.917 1.00 74.32 C ATOM 0 H LEU A 39 -3.237 -15.012 27.222 1.00 60.34 H new ATOM 0 HA LEU A 39 -1.163 -17.125 27.109 1.00 31.33 H new ATOM 0 HB2 LEU A 39 -1.012 -14.243 28.033 1.00 71.32 H new ATOM 0 HB3 LEU A 39 0.136 -15.451 28.576 1.00 71.32 H new ATOM 0 HG LEU A 39 0.363 -15.827 25.916 1.00 74.34 H new ATOM 0 HD11 LEU A 39 0.356 -13.635 24.791 1.00 30.21 H new ATOM 0 HD12 LEU A 39 -1.270 -14.096 25.349 1.00 30.21 H new ATOM 0 HD13 LEU A 39 -0.327 -12.890 26.257 1.00 30.21 H new ATOM 0 HD21 LEU A 39 2.358 -14.384 26.023 1.00 74.32 H new ATOM 0 HD22 LEU A 39 1.754 -13.670 27.537 1.00 74.32 H new ATOM 0 HD23 LEU A 39 2.193 -15.393 27.480 1.00 74.32 H new ATOM 784 N GLY A 49 -0.296 3.928 36.328 1.00 51.04 N ATOM 785 CA GLY A 49 1.119 4.240 36.406 1.00 50.21 C ATOM 786 C GLY A 49 1.990 3.118 35.876 1.00 2.53 C ATOM 787 O GLY A 49 3.214 3.238 35.843 1.00 4.42 O ATOM 0 HA2 GLY A 49 1.319 5.150 35.840 1.00 50.21 H new ATOM 0 HA3 GLY A 49 1.386 4.445 37.443 1.00 50.21 H new ATOM 791 N GLU A 50 1.358 2.025 35.463 1.00 72.32 N ATOM 792 CA GLU A 50 2.085 0.876 34.935 1.00 50.31 C ATOM 793 C GLU A 50 2.793 1.233 33.631 1.00 5.33 C ATOM 794 O GLU A 50 3.936 0.835 33.403 1.00 24.52 O ATOM 795 CB GLU A 50 1.131 -0.298 34.705 1.00 51.43 C ATOM 796 CG GLU A 50 0.905 -1.150 35.942 1.00 21.10 C ATOM 797 CD GLU A 50 1.798 -2.375 35.978 1.00 43.14 C ATOM 798 OE1 GLU A 50 1.627 -3.260 35.114 1.00 42.04 O ATOM 799 OE2 GLU A 50 2.669 -2.448 36.870 1.00 11.31 O ATOM 0 H GLU A 50 0.345 1.910 35.484 1.00 72.32 H new ATOM 0 HA GLU A 50 2.837 0.585 35.669 1.00 50.31 H new ATOM 0 HB2 GLU A 50 0.172 0.087 34.359 1.00 51.43 H new ATOM 0 HB3 GLU A 50 1.528 -0.927 33.908 1.00 51.43 H new ATOM 0 HG2 GLU A 50 1.086 -0.547 36.832 1.00 21.10 H new ATOM 0 HG3 GLU A 50 -0.138 -1.464 35.976 1.00 21.10 H new ATOM 806 N LEU A 51 2.107 1.986 32.779 1.00 1.41 N ATOM 807 CA LEU A 51 2.669 2.398 31.497 1.00 23.32 C ATOM 808 C LEU A 51 3.148 3.845 31.552 1.00 61.22 C ATOM 809 O LEU A 51 4.194 4.183 30.998 1.00 14.53 O ATOM 810 CB LEU A 51 1.631 2.234 30.386 1.00 35.34 C ATOM 811 CG LEU A 51 2.068 2.674 28.989 1.00 75.54 C ATOM 812 CD1 LEU A 51 1.315 1.892 27.923 1.00 34.23 C ATOM 813 CD2 LEU A 51 1.851 4.169 28.808 1.00 23.01 C ATOM 0 H LEU A 51 1.160 2.324 32.952 1.00 1.41 H new ATOM 0 HA LEU A 51 3.526 1.759 31.282 1.00 23.32 H new ATOM 0 HB2 LEU A 51 1.340 1.185 30.340 1.00 35.34 H new ATOM 0 HB3 LEU A 51 0.741 2.800 30.661 1.00 35.34 H new ATOM 0 HG LEU A 51 3.132 2.466 28.880 1.00 75.54 H new ATOM 0 HD11 LEU A 51 1.639 2.219 26.935 1.00 34.23 H new ATOM 0 HD12 LEU A 51 1.521 0.828 28.039 1.00 34.23 H new ATOM 0 HD13 LEU A 51 0.245 2.068 28.030 1.00 34.23 H new ATOM 0 HD21 LEU A 51 2.168 4.464 27.808 1.00 23.01 H new ATOM 0 HD22 LEU A 51 0.794 4.402 28.937 1.00 23.01 H new ATOM 0 HD23 LEU A 51 2.436 4.714 29.549 1.00 23.01 H new ATOM 825 N GLU A 52 2.377 4.693 32.225 1.00 53.14 N ATOM 826 CA GLU A 52 2.724 6.104 32.352 1.00 32.42 C ATOM 827 C GLU A 52 3.888 6.292 33.321 1.00 34.02 C ATOM 828 O GLU A 52 4.905 6.892 32.978 1.00 52.45 O ATOM 829 CB GLU A 52 1.513 6.909 32.829 1.00 22.54 C ATOM 830 CG GLU A 52 1.758 8.407 32.874 1.00 40.51 C ATOM 831 CD GLU A 52 2.008 8.999 31.500 1.00 25.31 C ATOM 832 OE1 GLU A 52 1.024 9.363 30.823 1.00 20.22 O ATOM 833 OE2 GLU A 52 3.188 9.097 31.102 1.00 52.11 O ATOM 0 H GLU A 52 1.509 4.428 32.690 1.00 53.14 H new ATOM 0 HA GLU A 52 3.028 6.467 31.370 1.00 32.42 H new ATOM 0 HB2 GLU A 52 0.670 6.707 32.168 1.00 22.54 H new ATOM 0 HB3 GLU A 52 1.228 6.566 33.824 1.00 22.54 H new ATOM 0 HG2 GLU A 52 0.897 8.899 33.326 1.00 40.51 H new ATOM 0 HG3 GLU A 52 2.615 8.612 33.515 1.00 40.51 H new ATOM 840 N GLY A 53 3.729 5.774 34.536 1.00 52.14 N ATOM 841 CA GLY A 53 4.773 5.896 35.536 1.00 33.13 C ATOM 842 C GLY A 53 6.027 5.131 35.162 1.00 53.10 C ATOM 843 O GLY A 53 7.110 5.709 35.064 1.00 11.55 O ATOM 0 H GLY A 53 2.896 5.273 34.845 1.00 52.14 H new ATOM 0 HA2 GLY A 53 5.020 6.949 35.672 1.00 33.13 H new ATOM 0 HA3 GLY A 53 4.400 5.530 36.493 1.00 33.13 H new ATOM 847 N LEU A 54 5.882 3.827 34.953 1.00 2.21 N ATOM 848 CA LEU A 54 7.013 2.981 34.589 1.00 61.21 C ATOM 849 C LEU A 54 7.436 3.229 33.145 1.00 43.14 C ATOM 850 O LEU A 54 6.992 4.189 32.514 1.00 71.33 O ATOM 851 CB LEU A 54 6.654 1.506 34.781 1.00 44.22 C ATOM 852 CG LEU A 54 5.801 1.177 36.006 1.00 23.03 C ATOM 853 CD1 LEU A 54 5.663 -0.328 36.172 1.00 71.54 C ATOM 854 CD2 LEU A 54 6.403 1.800 37.258 1.00 72.32 C ATOM 0 H LEU A 54 4.993 3.333 35.029 1.00 2.21 H new ATOM 0 HA LEU A 54 7.849 3.233 35.241 1.00 61.21 H new ATOM 0 HB2 LEU A 54 6.125 1.163 33.892 1.00 44.22 H new ATOM 0 HB3 LEU A 54 7.579 0.933 34.843 1.00 44.22 H new ATOM 0 HG LEU A 54 4.807 1.598 35.856 1.00 23.03 H new ATOM 0 HD11 LEU A 54 5.053 -0.543 37.049 1.00 71.54 H new ATOM 0 HD12 LEU A 54 5.187 -0.750 35.287 1.00 71.54 H new ATOM 0 HD13 LEU A 54 6.650 -0.772 36.299 1.00 71.54 H new ATOM 0 HD21 LEU A 54 5.783 1.556 38.120 1.00 72.32 H new ATOM 0 HD22 LEU A 54 7.409 1.409 37.412 1.00 72.32 H new ATOM 0 HD23 LEU A 54 6.449 2.883 37.140 1.00 72.32 H new ATOM 866 N ILE A 55 8.295 2.358 32.627 1.00 23.50 N ATOM 867 CA ILE A 55 8.775 2.481 31.256 1.00 22.22 C ATOM 868 C ILE A 55 8.455 1.229 30.447 1.00 72.31 C ATOM 869 O ILE A 55 8.207 0.153 30.993 1.00 53.34 O ATOM 870 CB ILE A 55 10.294 2.732 31.212 1.00 50.30 C ATOM 871 CG1 ILE A 55 11.029 1.703 32.073 1.00 13.14 C ATOM 872 CG2 ILE A 55 10.611 4.145 31.679 1.00 13.13 C ATOM 873 CD1 ILE A 55 12.489 2.032 32.295 1.00 55.05 C ATOM 0 H ILE A 55 8.673 1.559 33.136 1.00 23.50 H new ATOM 0 HA ILE A 55 8.260 3.336 30.817 1.00 22.22 H new ATOM 0 HB ILE A 55 10.635 2.625 30.182 1.00 50.30 H new ATOM 0 HG12 ILE A 55 10.531 1.628 33.040 1.00 13.14 H new ATOM 0 HG13 ILE A 55 10.954 0.724 31.599 1.00 13.14 H new ATOM 0 HG21 ILE A 55 11.688 4.307 31.642 1.00 13.13 H new ATOM 0 HG22 ILE A 55 10.113 4.864 31.028 1.00 13.13 H new ATOM 0 HG23 ILE A 55 10.259 4.278 32.702 1.00 13.13 H new ATOM 0 HD11 ILE A 55 12.946 1.260 32.914 1.00 55.05 H new ATOM 0 HD12 ILE A 55 13.002 2.078 31.334 1.00 55.05 H new ATOM 0 HD13 ILE A 55 12.572 2.996 32.797 1.00 55.05 H new ATOM 885 N PRO A 56 8.461 1.369 29.113 1.00 64.30 N ATOM 886 CA PRO A 56 8.176 0.259 28.199 1.00 31.41 C ATOM 887 C PRO A 56 9.285 -0.787 28.193 1.00 25.30 C ATOM 888 O PRO A 56 9.020 -1.988 28.138 1.00 61.20 O ATOM 889 CB PRO A 56 8.077 0.941 26.832 1.00 35.24 C ATOM 890 CG PRO A 56 8.898 2.177 26.965 1.00 31.44 C ATOM 891 CD PRO A 56 8.749 2.621 28.394 1.00 13.30 C ATOM 0 HA PRO A 56 7.275 -0.284 28.486 1.00 31.41 H new ATOM 0 HB2 PRO A 56 8.457 0.296 26.040 1.00 35.24 H new ATOM 0 HB3 PRO A 56 7.043 1.178 26.582 1.00 35.24 H new ATOM 0 HG2 PRO A 56 9.943 1.979 26.725 1.00 31.44 H new ATOM 0 HG3 PRO A 56 8.554 2.950 26.278 1.00 31.44 H new ATOM 0 HD2 PRO A 56 9.657 3.097 28.764 1.00 13.30 H new ATOM 0 HD3 PRO A 56 7.942 3.344 28.508 1.00 13.30 H new ATOM 899 N VAL A 57 10.530 -0.324 28.250 1.00 11.43 N ATOM 900 CA VAL A 57 11.680 -1.219 28.253 1.00 22.50 C ATOM 901 C VAL A 57 11.693 -2.094 29.502 1.00 74.24 C ATOM 902 O VAL A 57 12.353 -3.133 29.538 1.00 0.40 O ATOM 903 CB VAL A 57 13.003 -0.434 28.176 1.00 22.54 C ATOM 904 CG1 VAL A 57 14.191 -1.384 28.220 1.00 51.25 C ATOM 905 CG2 VAL A 57 13.041 0.423 26.921 1.00 42.52 C ATOM 0 H VAL A 57 10.767 0.667 28.295 1.00 11.43 H new ATOM 0 HA VAL A 57 11.590 -1.852 27.370 1.00 22.50 H new ATOM 0 HB VAL A 57 13.065 0.226 29.041 1.00 22.54 H new ATOM 0 HG11 VAL A 57 15.117 -0.812 28.165 1.00 51.25 H new ATOM 0 HG12 VAL A 57 14.170 -1.950 29.151 1.00 51.25 H new ATOM 0 HG13 VAL A 57 14.138 -2.072 27.376 1.00 51.25 H new ATOM 0 HG21 VAL A 57 13.983 0.971 26.883 1.00 42.52 H new ATOM 0 HG22 VAL A 57 12.957 -0.216 26.042 1.00 42.52 H new ATOM 0 HG23 VAL A 57 12.211 1.129 26.937 1.00 42.52 H new ATOM 915 N ASP A 58 10.958 -1.668 30.523 1.00 0.10 N ATOM 916 CA ASP A 58 10.883 -2.413 31.774 1.00 34.22 C ATOM 917 C ASP A 58 9.685 -3.358 31.773 1.00 62.35 C ATOM 918 O ASP A 58 9.839 -4.572 31.912 1.00 73.50 O ATOM 919 CB ASP A 58 10.788 -1.452 32.960 1.00 32.02 C ATOM 920 CG ASP A 58 12.135 -0.872 33.344 1.00 12.14 C ATOM 921 OD1 ASP A 58 13.119 -1.127 32.619 1.00 13.03 O ATOM 922 OD2 ASP A 58 12.205 -0.164 34.371 1.00 42.43 O ATOM 0 H ASP A 58 10.406 -0.811 30.509 1.00 0.10 H new ATOM 0 HA ASP A 58 11.792 -3.007 31.869 1.00 34.22 H new ATOM 0 HB2 ASP A 58 10.103 -0.641 32.713 1.00 32.02 H new ATOM 0 HB3 ASP A 58 10.364 -1.977 33.816 1.00 32.02 H new ATOM 927 N LEU A 59 8.493 -2.794 31.615 1.00 50.10 N ATOM 928 CA LEU A 59 7.268 -3.586 31.596 1.00 0.02 C ATOM 929 C LEU A 59 7.318 -4.641 30.496 1.00 45.25 C ATOM 930 O LEU A 59 6.809 -5.749 30.660 1.00 4.14 O ATOM 931 CB LEU A 59 6.054 -2.678 31.393 1.00 35.42 C ATOM 932 CG LEU A 59 5.237 -2.924 30.124 1.00 40.41 C ATOM 933 CD1 LEU A 59 3.831 -2.364 30.277 1.00 22.11 C ATOM 934 CD2 LEU A 59 5.930 -2.308 28.917 1.00 55.41 C ATOM 0 H LEU A 59 8.348 -1.791 31.498 1.00 50.10 H new ATOM 0 HA LEU A 59 7.178 -4.094 32.556 1.00 0.02 H new ATOM 0 HB2 LEU A 59 5.394 -2.789 32.253 1.00 35.42 H new ATOM 0 HB3 LEU A 59 6.396 -1.643 31.386 1.00 35.42 H new ATOM 0 HG LEU A 59 5.162 -4.000 29.966 1.00 40.41 H new ATOM 0 HD11 LEU A 59 3.265 -2.548 29.364 1.00 22.11 H new ATOM 0 HD12 LEU A 59 3.335 -2.851 31.117 1.00 22.11 H new ATOM 0 HD13 LEU A 59 3.885 -1.291 30.460 1.00 22.11 H new ATOM 0 HD21 LEU A 59 5.335 -2.492 28.022 1.00 55.41 H new ATOM 0 HD22 LEU A 59 6.036 -1.234 29.067 1.00 55.41 H new ATOM 0 HD23 LEU A 59 6.916 -2.756 28.796 1.00 55.41 H new ATOM 946 N ALA A 60 7.938 -4.289 29.374 1.00 53.35 N ATOM 947 CA ALA A 60 8.059 -5.206 28.247 1.00 34.25 C ATOM 948 C ALA A 60 8.867 -6.441 28.630 1.00 64.11 C ATOM 949 O ALA A 60 8.497 -7.565 28.293 1.00 70.11 O ATOM 950 CB ALA A 60 8.697 -4.502 27.059 1.00 32.22 C ATOM 0 H ALA A 60 8.364 -3.375 29.221 1.00 53.35 H new ATOM 0 HA ALA A 60 7.058 -5.532 27.966 1.00 34.25 H new ATOM 0 HB1 ALA A 60 8.781 -5.199 26.225 1.00 32.22 H new ATOM 0 HB2 ALA A 60 8.078 -3.655 26.763 1.00 32.22 H new ATOM 0 HB3 ALA A 60 9.690 -4.147 27.336 1.00 32.22 H new ATOM 956 N GLU A 61 9.973 -6.224 29.335 1.00 44.32 N ATOM 957 CA GLU A 61 10.835 -7.320 29.761 1.00 33.40 C ATOM 958 C GLU A 61 10.044 -8.355 30.557 1.00 64.22 C ATOM 959 O GLU A 61 10.279 -9.559 30.437 1.00 12.52 O ATOM 960 CB GLU A 61 11.995 -6.789 30.605 1.00 13.34 C ATOM 961 CG GLU A 61 13.284 -6.606 29.822 1.00 20.34 C ATOM 962 CD GLU A 61 14.289 -7.710 30.088 1.00 21.24 C ATOM 963 OE1 GLU A 61 14.743 -7.832 31.245 1.00 3.25 O ATOM 964 OE2 GLU A 61 14.622 -8.452 29.140 1.00 14.34 O ATOM 0 H GLU A 61 10.293 -5.299 29.623 1.00 44.32 H new ATOM 0 HA GLU A 61 11.236 -7.801 28.869 1.00 33.40 H new ATOM 0 HB2 GLU A 61 11.707 -5.833 31.043 1.00 13.34 H new ATOM 0 HB3 GLU A 61 12.176 -7.476 31.431 1.00 13.34 H new ATOM 0 HG2 GLU A 61 13.056 -6.576 28.756 1.00 20.34 H new ATOM 0 HG3 GLU A 61 13.729 -5.645 30.080 1.00 20.34 H new ATOM 971 N LEU A 62 9.108 -7.878 31.369 1.00 31.55 N ATOM 972 CA LEU A 62 8.282 -8.761 32.186 1.00 23.14 C ATOM 973 C LEU A 62 7.263 -9.502 31.327 1.00 32.44 C ATOM 974 O LEU A 62 7.073 -10.711 31.474 1.00 12.40 O ATOM 975 CB LEU A 62 7.564 -7.959 33.273 1.00 53.13 C ATOM 976 CG LEU A 62 6.382 -8.654 33.950 1.00 62.32 C ATOM 977 CD1 LEU A 62 6.293 -8.251 35.414 1.00 62.54 C ATOM 978 CD2 LEU A 62 5.085 -8.328 33.225 1.00 15.11 C ATOM 0 H LEU A 62 8.902 -6.885 31.480 1.00 31.55 H new ATOM 0 HA LEU A 62 8.935 -9.496 32.657 1.00 23.14 H new ATOM 0 HB2 LEU A 62 8.291 -7.693 34.040 1.00 53.13 H new ATOM 0 HB3 LEU A 62 7.209 -7.027 32.834 1.00 53.13 H new ATOM 0 HG LEU A 62 6.541 -9.731 33.900 1.00 62.32 H new ATOM 0 HD11 LEU A 62 5.446 -8.755 35.879 1.00 62.54 H new ATOM 0 HD12 LEU A 62 7.212 -8.537 35.926 1.00 62.54 H new ATOM 0 HD13 LEU A 62 6.157 -7.172 35.487 1.00 62.54 H new ATOM 0 HD21 LEU A 62 4.255 -8.831 33.721 1.00 15.11 H new ATOM 0 HD22 LEU A 62 4.919 -7.251 33.243 1.00 15.11 H new ATOM 0 HD23 LEU A 62 5.150 -8.668 32.192 1.00 15.11 H new ATOM 990 N LEU A 63 6.611 -8.772 30.430 1.00 53.12 N ATOM 991 CA LEU A 63 5.612 -9.360 29.544 1.00 34.35 C ATOM 992 C LEU A 63 6.217 -10.485 28.711 1.00 23.22 C ATOM 993 O LEU A 63 5.682 -11.593 28.664 1.00 23.34 O ATOM 994 CB LEU A 63 5.022 -8.289 28.625 1.00 64.32 C ATOM 995 CG LEU A 63 3.502 -8.308 28.460 1.00 64.41 C ATOM 996 CD1 LEU A 63 3.042 -9.649 27.910 1.00 71.41 C ATOM 997 CD2 LEU A 63 2.818 -8.011 29.786 1.00 3.52 C ATOM 0 H LEU A 63 6.756 -7.771 30.296 1.00 53.12 H new ATOM 0 HA LEU A 63 4.817 -9.778 30.161 1.00 34.35 H new ATOM 0 HB2 LEU A 63 5.314 -7.311 29.007 1.00 64.32 H new ATOM 0 HB3 LEU A 63 5.476 -8.395 27.639 1.00 64.32 H new ATOM 0 HG LEU A 63 3.223 -7.531 27.748 1.00 64.41 H new ATOM 0 HD11 LEU A 63 1.958 -9.644 27.799 1.00 71.41 H new ATOM 0 HD12 LEU A 63 3.505 -9.822 26.939 1.00 71.41 H new ATOM 0 HD13 LEU A 63 3.333 -10.443 28.597 1.00 71.41 H new ATOM 0 HD21 LEU A 63 1.737 -8.029 29.650 1.00 3.52 H new ATOM 0 HD22 LEU A 63 3.104 -8.765 30.520 1.00 3.52 H new ATOM 0 HD23 LEU A 63 3.123 -7.026 30.140 1.00 3.52 H new ATOM 1009 N ILE A 64 7.336 -10.193 28.057 1.00 23.31 N ATOM 1010 CA ILE A 64 8.016 -11.181 27.229 1.00 62.33 C ATOM 1011 C ILE A 64 8.431 -12.397 28.051 1.00 14.31 C ATOM 1012 O ILE A 64 8.535 -13.506 27.529 1.00 71.45 O ATOM 1013 CB ILE A 64 9.264 -10.585 26.551 1.00 52.24 C ATOM 1014 CG1 ILE A 64 10.304 -10.192 27.602 1.00 54.51 C ATOM 1015 CG2 ILE A 64 8.881 -9.382 25.701 1.00 72.42 C ATOM 1016 CD1 ILE A 64 11.637 -9.790 27.012 1.00 64.20 C ATOM 0 H ILE A 64 7.791 -9.280 28.084 1.00 23.31 H new ATOM 0 HA ILE A 64 7.307 -11.489 26.461 1.00 62.33 H new ATOM 0 HB ILE A 64 9.702 -11.341 25.900 1.00 52.24 H new ATOM 0 HG12 ILE A 64 9.914 -9.365 28.195 1.00 54.51 H new ATOM 0 HG13 ILE A 64 10.455 -11.030 28.283 1.00 54.51 H new ATOM 0 HG21 ILE A 64 9.773 -8.972 25.228 1.00 72.42 H new ATOM 0 HG22 ILE A 64 8.172 -9.690 24.932 1.00 72.42 H new ATOM 0 HG23 ILE A 64 8.423 -8.621 26.333 1.00 72.42 H new ATOM 0 HD11 ILE A 64 12.325 -9.524 27.815 1.00 64.20 H new ATOM 0 HD12 ILE A 64 12.049 -10.623 26.442 1.00 64.20 H new ATOM 0 HD13 ILE A 64 11.500 -8.932 26.353 1.00 64.20 H new ATOM 1028 N SER A 65 8.664 -12.180 29.341 1.00 0.45 N ATOM 1029 CA SER A 65 9.069 -13.257 30.237 1.00 71.02 C ATOM 1030 C SER A 65 7.874 -14.127 30.616 1.00 50.34 C ATOM 1031 O SER A 65 8.030 -15.292 30.981 1.00 73.24 O ATOM 1032 CB SER A 65 9.717 -12.684 31.498 1.00 1.35 C ATOM 1033 OG SER A 65 10.493 -13.665 32.164 1.00 32.14 O ATOM 0 H SER A 65 8.579 -11.268 29.790 1.00 0.45 H new ATOM 0 HA SER A 65 9.796 -13.877 29.713 1.00 71.02 H new ATOM 0 HB2 SER A 65 10.348 -11.835 31.233 1.00 1.35 H new ATOM 0 HB3 SER A 65 8.944 -12.310 32.170 1.00 1.35 H new ATOM 0 HG SER A 65 10.898 -13.273 32.966 1.00 32.14 H new ATOM 1039 N LYS A 66 6.680 -13.551 30.526 1.00 33.21 N ATOM 1040 CA LYS A 66 5.456 -14.272 30.858 1.00 40.45 C ATOM 1041 C LYS A 66 5.412 -15.623 30.152 1.00 24.31 C ATOM 1042 O LYS A 66 5.426 -16.672 30.797 1.00 15.24 O ATOM 1043 CB LYS A 66 4.230 -13.442 30.469 1.00 2.21 C ATOM 1044 CG LYS A 66 2.919 -14.199 30.593 1.00 43.13 C ATOM 1045 CD LYS A 66 2.565 -14.468 32.046 1.00 44.52 C ATOM 1046 CE LYS A 66 2.232 -15.933 32.276 1.00 31.54 C ATOM 1047 NZ LYS A 66 3.262 -16.612 33.110 1.00 23.23 N ATOM 0 H LYS A 66 6.534 -12.587 30.226 1.00 33.21 H new ATOM 0 HA LYS A 66 5.445 -14.444 31.934 1.00 40.45 H new ATOM 0 HB2 LYS A 66 4.188 -12.554 31.099 1.00 2.21 H new ATOM 0 HB3 LYS A 66 4.346 -13.098 29.441 1.00 2.21 H new ATOM 0 HG2 LYS A 66 2.120 -13.625 30.123 1.00 43.13 H new ATOM 0 HG3 LYS A 66 2.991 -15.144 30.054 1.00 43.13 H new ATOM 0 HD2 LYS A 66 3.400 -14.179 32.684 1.00 44.52 H new ATOM 0 HD3 LYS A 66 1.714 -13.851 32.335 1.00 44.52 H new ATOM 0 HE2 LYS A 66 1.260 -16.012 32.763 1.00 31.54 H new ATOM 0 HE3 LYS A 66 2.149 -16.442 31.316 1.00 31.54 H new ATOM 0 HZ1 LYS A 66 2.893 -17.526 33.442 1.00 23.23 H new ATOM 0 HZ2 LYS A 66 4.119 -16.770 32.543 1.00 23.23 H new ATOM 0 HZ3 LYS A 66 3.494 -16.015 33.929 1.00 23.23 H new ATOM 1061 N TYR A 67 5.362 -15.591 28.825 1.00 30.51 N ATOM 1062 CA TYR A 67 5.316 -16.814 28.032 1.00 34.45 C ATOM 1063 C TYR A 67 6.355 -16.780 26.917 1.00 44.05 C ATOM 1064 O TYR A 67 7.000 -17.785 26.622 1.00 24.42 O ATOM 1065 CB TYR A 67 3.920 -17.009 27.438 1.00 33.32 C ATOM 1066 CG TYR A 67 3.537 -18.461 27.255 1.00 13.54 C ATOM 1067 CD1 TYR A 67 3.623 -19.360 28.311 1.00 71.22 C ATOM 1068 CD2 TYR A 67 3.090 -18.932 26.027 1.00 33.35 C ATOM 1069 CE1 TYR A 67 3.275 -20.687 28.148 1.00 32.25 C ATOM 1070 CE2 TYR A 67 2.738 -20.257 25.856 1.00 30.14 C ATOM 1071 CZ TYR A 67 2.832 -21.131 26.920 1.00 44.34 C ATOM 1072 OH TYR A 67 2.484 -22.452 26.753 1.00 44.42 O ATOM 0 H TYR A 67 5.352 -14.732 28.276 1.00 30.51 H new ATOM 0 HA TYR A 67 5.544 -17.652 28.690 1.00 34.45 H new ATOM 0 HB2 TYR A 67 3.188 -16.528 28.087 1.00 33.32 H new ATOM 0 HB3 TYR A 67 3.871 -16.505 26.473 1.00 33.32 H new ATOM 0 HD1 TYR A 67 3.968 -19.016 29.275 1.00 71.22 H new ATOM 0 HD2 TYR A 67 3.016 -18.251 25.192 1.00 33.35 H new ATOM 0 HE1 TYR A 67 3.350 -21.373 28.978 1.00 32.25 H new ATOM 0 HE2 TYR A 67 2.391 -20.607 24.895 1.00 30.14 H new ATOM 0 HH TYR A 67 2.192 -22.599 25.829 1.00 44.42 H new ATOM 1082 N GLY A 68 6.513 -15.613 26.299 1.00 74.14 N ATOM 1083 CA GLY A 68 7.475 -15.467 25.222 1.00 22.53 C ATOM 1084 C GLY A 68 7.485 -14.069 24.639 1.00 50.43 C ATOM 1085 O GLY A 68 6.448 -13.409 24.574 1.00 30.43 O ATOM 0 H GLY A 68 5.992 -14.766 26.525 1.00 74.14 H new ATOM 0 HA2 GLY A 68 8.471 -15.710 25.593 1.00 22.53 H new ATOM 0 HA3 GLY A 68 7.245 -16.184 24.434 1.00 22.53 H new ATOM 1089 N GLU A 69 8.660 -13.614 24.214 1.00 30.31 N ATOM 1090 CA GLU A 69 8.800 -12.283 23.635 1.00 33.14 C ATOM 1091 C GLU A 69 8.066 -12.190 22.300 1.00 23.54 C ATOM 1092 O GLU A 69 7.617 -11.117 21.899 1.00 41.13 O ATOM 1093 CB GLU A 69 10.278 -11.939 23.443 1.00 62.24 C ATOM 1094 CG GLU A 69 11.030 -12.944 22.586 1.00 22.35 C ATOM 1095 CD GLU A 69 12.278 -12.356 21.958 1.00 65.55 C ATOM 1096 OE1 GLU A 69 12.692 -11.255 22.376 1.00 60.12 O ATOM 1097 OE2 GLU A 69 12.842 -12.999 21.047 1.00 51.14 O ATOM 0 H GLU A 69 9.528 -14.147 24.260 1.00 30.31 H new ATOM 0 HA GLU A 69 8.355 -11.566 24.325 1.00 33.14 H new ATOM 0 HB2 GLU A 69 10.356 -10.953 22.985 1.00 62.24 H new ATOM 0 HB3 GLU A 69 10.758 -11.876 24.420 1.00 62.24 H new ATOM 0 HG2 GLU A 69 11.306 -13.803 23.198 1.00 22.35 H new ATOM 0 HG3 GLU A 69 10.370 -13.311 21.800 1.00 22.35 H new ATOM 1104 N LYS A 70 7.949 -13.324 21.617 1.00 44.35 N ATOM 1105 CA LYS A 70 7.271 -13.373 20.327 1.00 33.10 C ATOM 1106 C LYS A 70 5.809 -12.960 20.465 1.00 10.24 C ATOM 1107 O LYS A 70 5.437 -11.838 20.123 1.00 4.23 O ATOM 1108 CB LYS A 70 7.360 -14.781 19.734 1.00 33.23 C ATOM 1109 CG LYS A 70 8.743 -15.137 19.216 1.00 15.30 C ATOM 1110 CD LYS A 70 9.164 -14.221 18.079 1.00 62.20 C ATOM 1111 CE LYS A 70 8.175 -14.274 16.925 1.00 13.40 C ATOM 1112 NZ LYS A 70 8.860 -14.229 15.604 1.00 64.31 N ATOM 0 H LYS A 70 8.315 -14.221 21.935 1.00 44.35 H new ATOM 0 HA LYS A 70 7.767 -12.671 19.657 1.00 33.10 H new ATOM 0 HB2 LYS A 70 7.069 -15.505 20.494 1.00 33.23 H new ATOM 0 HB3 LYS A 70 6.642 -14.869 18.918 1.00 33.23 H new ATOM 0 HG2 LYS A 70 9.466 -15.067 20.028 1.00 15.30 H new ATOM 0 HG3 LYS A 70 8.749 -16.171 18.873 1.00 15.30 H new ATOM 0 HD2 LYS A 70 9.243 -13.197 18.445 1.00 62.20 H new ATOM 0 HD3 LYS A 70 10.154 -14.510 17.725 1.00 62.20 H new ATOM 0 HE2 LYS A 70 7.583 -15.186 16.996 1.00 13.40 H new ATOM 0 HE3 LYS A 70 7.481 -13.437 17.003 1.00 13.40 H new ATOM 0 HZ1 LYS A 70 8.151 -14.267 14.844 1.00 64.31 H new ATOM 0 HZ2 LYS A 70 9.405 -13.347 15.525 1.00 64.31 H new ATOM 0 HZ3 LYS A 70 9.503 -15.042 15.519 1.00 64.31 H new ATOM 1126 N GLU A 71 4.985 -13.873 20.970 1.00 65.40 N ATOM 1127 CA GLU A 71 3.565 -13.602 21.154 1.00 54.24 C ATOM 1128 C GLU A 71 3.354 -12.291 21.906 1.00 21.24 C ATOM 1129 O GLU A 71 2.331 -11.627 21.743 1.00 3.20 O ATOM 1130 CB GLU A 71 2.897 -14.751 21.912 1.00 72.14 C ATOM 1131 CG GLU A 71 3.625 -15.144 23.186 1.00 62.22 C ATOM 1132 CD GLU A 71 4.531 -16.345 22.993 1.00 32.12 C ATOM 1133 OE1 GLU A 71 4.703 -16.778 21.834 1.00 11.23 O ATOM 1134 OE2 GLU A 71 5.067 -16.852 24.000 1.00 31.25 O ATOM 0 H GLU A 71 5.277 -14.807 21.259 1.00 65.40 H new ATOM 0 HA GLU A 71 3.108 -13.513 20.168 1.00 54.24 H new ATOM 0 HB2 GLU A 71 1.875 -14.465 22.161 1.00 72.14 H new ATOM 0 HB3 GLU A 71 2.834 -15.620 21.257 1.00 72.14 H new ATOM 0 HG2 GLU A 71 4.218 -14.299 23.537 1.00 62.22 H new ATOM 0 HG3 GLU A 71 2.894 -15.366 23.964 1.00 62.22 H new ATOM 1141 N ALA A 72 4.330 -11.927 22.732 1.00 54.40 N ATOM 1142 CA ALA A 72 4.253 -10.696 23.509 1.00 13.20 C ATOM 1143 C ALA A 72 3.864 -9.514 22.628 1.00 55.32 C ATOM 1144 O ALA A 72 2.806 -8.911 22.811 1.00 32.24 O ATOM 1145 CB ALA A 72 5.580 -10.425 24.202 1.00 32.53 C ATOM 0 H ALA A 72 5.183 -12.467 22.880 1.00 54.40 H new ATOM 0 HA ALA A 72 3.479 -10.822 24.266 1.00 13.20 H new ATOM 0 HB1 ALA A 72 5.508 -9.503 24.778 1.00 32.53 H new ATOM 0 HB2 ALA A 72 5.817 -11.253 24.870 1.00 32.53 H new ATOM 0 HB3 ALA A 72 6.367 -10.325 23.455 1.00 32.53 H new ATOM 1151 N VAL A 73 4.726 -9.186 21.671 1.00 53.05 N ATOM 1152 CA VAL A 73 4.472 -8.076 20.760 1.00 13.33 C ATOM 1153 C VAL A 73 3.158 -8.269 20.011 1.00 1.31 C ATOM 1154 O VAL A 73 2.425 -7.311 19.763 1.00 30.13 O ATOM 1155 CB VAL A 73 5.614 -7.915 19.739 1.00 15.42 C ATOM 1156 CG1 VAL A 73 5.186 -7.003 18.599 1.00 10.32 C ATOM 1157 CG2 VAL A 73 6.865 -7.380 20.420 1.00 72.44 C ATOM 0 H VAL A 73 5.607 -9.673 21.506 1.00 53.05 H new ATOM 0 HA VAL A 73 4.410 -7.174 21.369 1.00 13.33 H new ATOM 0 HB VAL A 73 5.846 -8.895 19.321 1.00 15.42 H new ATOM 0 HG11 VAL A 73 6.005 -6.901 17.887 1.00 10.32 H new ATOM 0 HG12 VAL A 73 4.320 -7.432 18.096 1.00 10.32 H new ATOM 0 HG13 VAL A 73 4.926 -6.022 18.996 1.00 10.32 H new ATOM 0 HG21 VAL A 73 7.662 -7.272 19.684 1.00 72.44 H new ATOM 0 HG22 VAL A 73 6.649 -6.409 20.866 1.00 72.44 H new ATOM 0 HG23 VAL A 73 7.181 -8.075 21.198 1.00 72.44 H new ATOM 1167 N LYS A 74 2.865 -9.514 19.653 1.00 64.25 N ATOM 1168 CA LYS A 74 1.639 -9.835 18.933 1.00 72.54 C ATOM 1169 C LYS A 74 0.411 -9.524 19.783 1.00 44.10 C ATOM 1170 O LYS A 74 -0.606 -9.053 19.274 1.00 44.22 O ATOM 1171 CB LYS A 74 1.632 -11.312 18.529 1.00 14.33 C ATOM 1172 CG LYS A 74 0.260 -11.826 18.128 1.00 51.22 C ATOM 1173 CD LYS A 74 0.211 -13.345 18.131 1.00 14.54 C ATOM 1174 CE LYS A 74 -1.189 -13.856 18.437 1.00 22.03 C ATOM 1175 NZ LYS A 74 -1.252 -14.544 19.756 1.00 22.05 N ATOM 0 H LYS A 74 3.461 -10.318 19.850 1.00 64.25 H new ATOM 0 HA LYS A 74 1.603 -9.218 18.035 1.00 72.54 H new ATOM 0 HB2 LYS A 74 2.322 -11.456 17.698 1.00 14.33 H new ATOM 0 HB3 LYS A 74 2.006 -11.909 19.361 1.00 14.33 H new ATOM 0 HG2 LYS A 74 -0.491 -11.435 18.815 1.00 51.22 H new ATOM 0 HG3 LYS A 74 0.007 -11.455 17.135 1.00 51.22 H new ATOM 0 HD2 LYS A 74 0.533 -13.723 17.161 1.00 14.54 H new ATOM 0 HD3 LYS A 74 0.911 -13.731 18.872 1.00 14.54 H new ATOM 0 HE2 LYS A 74 -1.890 -13.021 18.429 1.00 22.03 H new ATOM 0 HE3 LYS A 74 -1.504 -14.544 17.653 1.00 22.03 H new ATOM 0 HZ1 LYS A 74 -2.222 -14.877 19.928 1.00 22.05 H new ATOM 0 HZ2 LYS A 74 -0.602 -15.356 19.756 1.00 22.05 H new ATOM 0 HZ3 LYS A 74 -0.976 -13.880 20.507 1.00 22.05 H new ATOM 1189 N VAL A 75 0.514 -9.789 21.082 1.00 51.34 N ATOM 1190 CA VAL A 75 -0.587 -9.534 22.003 1.00 40.00 C ATOM 1191 C VAL A 75 -0.896 -8.044 22.092 1.00 44.41 C ATOM 1192 O VAL A 75 -1.994 -7.648 22.482 1.00 74.24 O ATOM 1193 CB VAL A 75 -0.273 -10.067 23.413 1.00 31.15 C ATOM 1194 CG1 VAL A 75 -1.406 -9.737 24.374 1.00 43.24 C ATOM 1195 CG2 VAL A 75 -0.019 -11.566 23.372 1.00 61.45 C ATOM 0 H VAL A 75 1.348 -10.180 21.520 1.00 51.34 H new ATOM 0 HA VAL A 75 -1.457 -10.059 21.609 1.00 40.00 H new ATOM 0 HB VAL A 75 0.632 -9.578 23.773 1.00 31.15 H new ATOM 0 HG11 VAL A 75 -1.166 -10.122 25.365 1.00 43.24 H new ATOM 0 HG12 VAL A 75 -1.536 -8.656 24.426 1.00 43.24 H new ATOM 0 HG13 VAL A 75 -2.329 -10.197 24.020 1.00 43.24 H new ATOM 0 HG21 VAL A 75 0.201 -11.925 24.377 1.00 61.45 H new ATOM 0 HG22 VAL A 75 -0.904 -12.075 22.991 1.00 61.45 H new ATOM 0 HG23 VAL A 75 0.828 -11.774 22.719 1.00 61.45 H new ATOM 1205 N VAL A 76 0.082 -7.220 21.727 1.00 12.34 N ATOM 1206 CA VAL A 76 -0.085 -5.772 21.764 1.00 13.22 C ATOM 1207 C VAL A 76 -0.833 -5.273 20.533 1.00 75.51 C ATOM 1208 O VAL A 76 -1.833 -4.562 20.646 1.00 44.14 O ATOM 1209 CB VAL A 76 1.274 -5.052 21.852 1.00 54.01 C ATOM 1210 CG1 VAL A 76 1.231 -3.735 21.091 1.00 32.52 C ATOM 1211 CG2 VAL A 76 1.663 -4.825 23.305 1.00 62.42 C ATOM 0 H VAL A 76 0.998 -7.531 21.403 1.00 12.34 H new ATOM 0 HA VAL A 76 -0.667 -5.544 22.657 1.00 13.22 H new ATOM 0 HB VAL A 76 2.032 -5.686 21.391 1.00 54.01 H new ATOM 0 HG11 VAL A 76 2.200 -3.241 21.164 1.00 32.52 H new ATOM 0 HG12 VAL A 76 1.000 -3.928 20.043 1.00 32.52 H new ATOM 0 HG13 VAL A 76 0.462 -3.092 21.520 1.00 32.52 H new ATOM 0 HG21 VAL A 76 2.626 -4.315 23.349 1.00 62.42 H new ATOM 0 HG22 VAL A 76 0.905 -4.212 23.793 1.00 62.42 H new ATOM 0 HG23 VAL A 76 1.737 -5.785 23.816 1.00 62.42 H new ATOM 1221 N LEU A 77 -0.344 -5.652 19.357 1.00 15.21 N ATOM 1222 CA LEU A 77 -0.967 -5.244 18.102 1.00 12.15 C ATOM 1223 C LEU A 77 -2.353 -5.863 17.956 1.00 73.41 C ATOM 1224 O LEU A 77 -3.322 -5.175 17.634 1.00 32.23 O ATOM 1225 CB LEU A 77 -0.087 -5.649 16.918 1.00 13.34 C ATOM 1226 CG LEU A 77 0.265 -7.133 16.821 1.00 61.42 C ATOM 1227 CD1 LEU A 77 -0.675 -7.843 15.859 1.00 70.12 C ATOM 1228 CD2 LEU A 77 1.712 -7.310 16.384 1.00 71.55 C ATOM 0 H LEU A 77 0.481 -6.241 19.246 1.00 15.21 H new ATOM 0 HA LEU A 77 -1.073 -4.159 18.113 1.00 12.15 H new ATOM 0 HB2 LEU A 77 -0.592 -5.355 15.998 1.00 13.34 H new ATOM 0 HB3 LEU A 77 0.840 -5.079 16.968 1.00 13.34 H new ATOM 0 HG LEU A 77 0.147 -7.580 17.808 1.00 61.42 H new ATOM 0 HD11 LEU A 77 -0.409 -8.899 15.803 1.00 70.12 H new ATOM 0 HD12 LEU A 77 -1.701 -7.746 16.214 1.00 70.12 H new ATOM 0 HD13 LEU A 77 -0.590 -7.394 14.869 1.00 70.12 H new ATOM 0 HD21 LEU A 77 1.945 -8.373 16.320 1.00 71.55 H new ATOM 0 HD22 LEU A 77 1.856 -6.848 15.408 1.00 71.55 H new ATOM 0 HD23 LEU A 77 2.372 -6.837 17.111 1.00 71.55 H new ATOM 1240 N LYS A 78 -2.441 -7.167 18.196 1.00 33.30 N ATOM 1241 CA LYS A 78 -3.709 -7.881 18.095 1.00 41.44 C ATOM 1242 C LYS A 78 -4.783 -7.205 18.942 1.00 64.21 C ATOM 1243 O LYS A 78 -5.929 -7.071 18.517 1.00 72.01 O ATOM 1244 CB LYS A 78 -3.536 -9.335 18.537 1.00 62.54 C ATOM 1245 CG LYS A 78 -4.554 -10.282 17.925 1.00 60.21 C ATOM 1246 CD LYS A 78 -5.017 -11.326 18.927 1.00 22.50 C ATOM 1247 CE LYS A 78 -6.212 -10.837 19.730 1.00 75.22 C ATOM 1248 NZ LYS A 78 -6.731 -11.888 20.648 1.00 33.14 N ATOM 0 H LYS A 78 -1.649 -7.752 18.462 1.00 33.30 H new ATOM 0 HA LYS A 78 -4.027 -7.860 17.053 1.00 41.44 H new ATOM 0 HB2 LYS A 78 -2.534 -9.670 18.270 1.00 62.54 H new ATOM 0 HB3 LYS A 78 -3.611 -9.387 19.623 1.00 62.54 H new ATOM 0 HG2 LYS A 78 -5.413 -9.713 17.568 1.00 60.21 H new ATOM 0 HG3 LYS A 78 -4.117 -10.777 17.058 1.00 60.21 H new ATOM 0 HD2 LYS A 78 -5.281 -12.244 18.402 1.00 22.50 H new ATOM 0 HD3 LYS A 78 -4.198 -11.571 19.604 1.00 22.50 H new ATOM 0 HE2 LYS A 78 -5.926 -9.959 20.309 1.00 75.22 H new ATOM 0 HE3 LYS A 78 -7.004 -10.526 19.049 1.00 75.22 H new ATOM 0 HZ1 LYS A 78 -7.545 -11.515 21.177 1.00 33.14 H new ATOM 0 HZ2 LYS A 78 -7.028 -12.717 20.094 1.00 33.14 H new ATOM 0 HZ3 LYS A 78 -5.983 -12.167 21.315 1.00 33.14 H new ATOM 1262 N GLY A 79 -4.402 -6.780 20.143 1.00 70.00 N ATOM 1263 CA GLY A 79 -5.344 -6.122 21.030 1.00 62.42 C ATOM 1264 C GLY A 79 -5.457 -4.636 20.756 1.00 53.13 C ATOM 1265 O GLY A 79 -6.396 -3.983 21.213 1.00 53.43 O ATOM 0 H GLY A 79 -3.458 -6.880 20.517 1.00 70.00 H new ATOM 0 HA2 GLY A 79 -6.325 -6.584 20.920 1.00 62.42 H new ATOM 0 HA3 GLY A 79 -5.033 -6.275 22.063 1.00 62.42 H new ATOM 1269 N LEU A 80 -4.499 -4.099 20.009 1.00 4.25 N ATOM 1270 CA LEU A 80 -4.494 -2.679 19.676 1.00 3.51 C ATOM 1271 C LEU A 80 -5.554 -2.362 18.627 1.00 54.22 C ATOM 1272 O LEU A 80 -6.120 -1.268 18.610 1.00 65.13 O ATOM 1273 CB LEU A 80 -3.114 -2.259 19.166 1.00 61.11 C ATOM 1274 CG LEU A 80 -2.317 -1.325 20.077 1.00 42.10 C ATOM 1275 CD1 LEU A 80 -2.297 -1.857 21.501 1.00 30.44 C ATOM 1276 CD2 LEU A 80 -0.900 -1.149 19.552 1.00 45.04 C ATOM 0 H LEU A 80 -3.716 -4.625 19.622 1.00 4.25 H new ATOM 0 HA LEU A 80 -4.726 -2.118 20.581 1.00 3.51 H new ATOM 0 HB2 LEU A 80 -2.523 -3.159 18.995 1.00 61.11 H new ATOM 0 HB3 LEU A 80 -3.239 -1.771 18.199 1.00 61.11 H new ATOM 0 HG LEU A 80 -2.805 -0.350 20.082 1.00 42.10 H new ATOM 0 HD11 LEU A 80 -1.725 -1.179 22.135 1.00 30.44 H new ATOM 0 HD12 LEU A 80 -3.318 -1.930 21.876 1.00 30.44 H new ATOM 0 HD13 LEU A 80 -1.834 -2.844 21.514 1.00 30.44 H new ATOM 0 HD21 LEU A 80 -0.347 -0.481 20.213 1.00 45.04 H new ATOM 0 HD22 LEU A 80 -0.402 -2.118 19.516 1.00 45.04 H new ATOM 0 HD23 LEU A 80 -0.934 -0.722 18.550 1.00 45.04 H new ATOM 1288 N LYS A 81 -5.822 -3.327 17.753 1.00 1.25 N ATOM 1289 CA LYS A 81 -6.817 -3.154 16.702 1.00 14.43 C ATOM 1290 C LYS A 81 -8.153 -2.703 17.286 1.00 24.12 C ATOM 1291 O LYS A 81 -8.678 -1.651 16.921 1.00 21.23 O ATOM 1292 CB LYS A 81 -7.003 -4.460 15.927 1.00 44.23 C ATOM 1293 CG LYS A 81 -6.001 -4.645 14.800 1.00 74.14 C ATOM 1294 CD LYS A 81 -6.415 -3.879 13.554 1.00 35.14 C ATOM 1295 CE LYS A 81 -5.667 -4.369 12.324 1.00 0.31 C ATOM 1296 NZ LYS A 81 -6.163 -3.721 11.079 1.00 54.15 N ATOM 0 H LYS A 81 -5.363 -4.238 17.752 1.00 1.25 H new ATOM 0 HA LYS A 81 -6.459 -2.382 16.021 1.00 14.43 H new ATOM 0 HB2 LYS A 81 -6.919 -5.298 16.618 1.00 44.23 H new ATOM 0 HB3 LYS A 81 -8.011 -4.487 15.514 1.00 44.23 H new ATOM 0 HG2 LYS A 81 -5.018 -4.306 15.127 1.00 74.14 H new ATOM 0 HG3 LYS A 81 -5.910 -5.705 14.563 1.00 74.14 H new ATOM 0 HD2 LYS A 81 -7.488 -3.990 13.397 1.00 35.14 H new ATOM 0 HD3 LYS A 81 -6.223 -2.816 13.699 1.00 35.14 H new ATOM 0 HE2 LYS A 81 -4.603 -4.164 12.441 1.00 0.31 H new ATOM 0 HE3 LYS A 81 -5.776 -5.450 12.239 1.00 0.31 H new ATOM 0 HZ1 LYS A 81 -5.628 -4.081 10.263 1.00 54.15 H new ATOM 0 HZ2 LYS A 81 -7.173 -3.937 10.954 1.00 54.15 H new ATOM 0 HZ3 LYS A 81 -6.035 -2.691 11.149 1.00 54.15 H new ATOM 1310 N VAL A 82 -8.696 -3.505 18.196 1.00 33.31 N ATOM 1311 CA VAL A 82 -9.969 -3.188 18.833 1.00 40.44 C ATOM 1312 C VAL A 82 -9.915 -1.829 19.521 1.00 2.43 C ATOM 1313 O VAL A 82 -10.935 -1.311 19.975 1.00 4.44 O ATOM 1314 CB VAL A 82 -10.362 -4.259 19.866 1.00 35.44 C ATOM 1315 CG1 VAL A 82 -9.928 -3.840 21.263 1.00 53.15 C ATOM 1316 CG2 VAL A 82 -11.861 -4.519 19.820 1.00 2.45 C ATOM 0 H VAL A 82 -8.274 -4.379 18.509 1.00 33.31 H new ATOM 0 HA VAL A 82 -10.720 -3.163 18.044 1.00 40.44 H new ATOM 0 HB VAL A 82 -9.847 -5.186 19.615 1.00 35.44 H new ATOM 0 HG11 VAL A 82 -10.215 -4.610 21.979 1.00 53.15 H new ATOM 0 HG12 VAL A 82 -8.846 -3.710 21.284 1.00 53.15 H new ATOM 0 HG13 VAL A 82 -10.412 -2.900 21.528 1.00 53.15 H new ATOM 0 HG21 VAL A 82 -12.121 -5.279 20.557 1.00 2.45 H new ATOM 0 HG22 VAL A 82 -12.397 -3.597 20.045 1.00 2.45 H new ATOM 0 HG23 VAL A 82 -12.139 -4.868 18.825 1.00 2.45 H new ATOM 1326 N MET A 83 -8.718 -1.256 19.595 1.00 42.23 N ATOM 1327 CA MET A 83 -8.531 0.045 20.227 1.00 70.01 C ATOM 1328 C MET A 83 -8.324 1.134 19.179 1.00 24.11 C ATOM 1329 O MET A 83 -8.118 2.299 19.514 1.00 2.54 O ATOM 1330 CB MET A 83 -7.336 0.005 21.181 1.00 10.14 C ATOM 1331 CG MET A 83 -7.375 1.086 22.250 1.00 74.41 C ATOM 1332 SD MET A 83 -8.298 0.581 23.714 1.00 32.14 S ATOM 1333 CE MET A 83 -7.352 -0.848 24.235 1.00 74.44 C ATOM 0 H MET A 83 -7.863 -1.672 19.225 1.00 42.23 H new ATOM 0 HA MET A 83 -9.432 0.278 20.794 1.00 70.01 H new ATOM 0 HB2 MET A 83 -7.300 -0.971 21.664 1.00 10.14 H new ATOM 0 HB3 MET A 83 -6.417 0.109 20.604 1.00 10.14 H new ATOM 0 HG2 MET A 83 -6.356 1.343 22.539 1.00 74.41 H new ATOM 0 HG3 MET A 83 -7.826 1.987 21.834 1.00 74.41 H new ATOM 0 HE1 MET A 83 -7.476 -0.995 25.308 1.00 74.44 H new ATOM 0 HE2 MET A 83 -7.706 -1.732 23.705 1.00 74.44 H new ATOM 0 HE3 MET A 83 -6.298 -0.688 24.010 1.00 74.44 H new ATOM 1343 N ASN A 84 -8.379 0.745 17.909 1.00 0.42 N ATOM 1344 CA ASN A 84 -8.196 1.689 16.812 1.00 11.15 C ATOM 1345 C ASN A 84 -6.799 2.301 16.848 1.00 21.24 C ATOM 1346 O ASN A 84 -6.603 3.453 16.459 1.00 34.01 O ATOM 1347 CB ASN A 84 -9.251 2.795 16.882 1.00 32.05 C ATOM 1348 CG ASN A 84 -10.410 2.550 15.935 1.00 65.31 C ATOM 1349 OD1 ASN A 84 -10.245 2.577 14.715 1.00 22.02 O ATOM 1350 ND2 ASN A 84 -11.590 2.309 16.494 1.00 61.43 N ATOM 0 H ASN A 84 -8.549 -0.217 17.614 1.00 0.42 H new ATOM 0 HA ASN A 84 -8.311 1.145 15.875 1.00 11.15 H new ATOM 0 HB2 ASN A 84 -9.628 2.869 17.902 1.00 32.05 H new ATOM 0 HB3 ASN A 84 -8.787 3.752 16.643 1.00 32.05 H new ATOM 0 HD21 ASN A 84 -12.406 2.137 15.907 1.00 61.43 H new ATOM 0 HD22 ASN A 84 -11.680 2.296 17.510 1.00 61.43 H new ATOM 1357 N LEU A 85 -5.830 1.522 17.317 1.00 12.25 N ATOM 1358 CA LEU A 85 -4.450 1.986 17.404 1.00 41.30 C ATOM 1359 C LEU A 85 -3.692 1.685 16.115 1.00 73.31 C ATOM 1360 O LEU A 85 -2.464 1.595 16.111 1.00 62.24 O ATOM 1361 CB LEU A 85 -3.743 1.328 18.590 1.00 12.02 C ATOM 1362 CG LEU A 85 -3.645 2.169 19.864 1.00 62.33 C ATOM 1363 CD1 LEU A 85 -3.276 3.605 19.528 1.00 53.44 C ATOM 1364 CD2 LEU A 85 -4.954 2.119 20.638 1.00 41.11 C ATOM 0 H LEU A 85 -5.975 0.566 17.643 1.00 12.25 H new ATOM 0 HA LEU A 85 -4.465 3.066 17.552 1.00 41.30 H new ATOM 0 HB2 LEU A 85 -4.264 0.401 18.830 1.00 12.02 H new ATOM 0 HB3 LEU A 85 -2.734 1.055 18.280 1.00 12.02 H new ATOM 0 HG LEU A 85 -2.859 1.751 20.493 1.00 62.33 H new ATOM 0 HD11 LEU A 85 -3.211 4.188 20.446 1.00 53.44 H new ATOM 0 HD12 LEU A 85 -2.313 3.623 19.017 1.00 53.44 H new ATOM 0 HD13 LEU A 85 -4.039 4.034 18.879 1.00 53.44 H new ATOM 0 HD21 LEU A 85 -4.866 2.723 21.541 1.00 41.11 H new ATOM 0 HD22 LEU A 85 -5.759 2.511 20.017 1.00 41.11 H new ATOM 0 HD23 LEU A 85 -5.176 1.087 20.911 1.00 41.11 H new ATOM 1376 N LEU A 86 -4.432 1.532 15.022 1.00 20.42 N ATOM 1377 CA LEU A 86 -3.830 1.242 13.725 1.00 11.51 C ATOM 1378 C LEU A 86 -2.820 2.319 13.342 1.00 64.23 C ATOM 1379 O LEU A 86 -1.954 2.097 12.496 1.00 50.12 O ATOM 1380 CB LEU A 86 -4.913 1.138 12.650 1.00 33.32 C ATOM 1381 CG LEU A 86 -5.688 2.421 12.351 1.00 51.55 C ATOM 1382 CD1 LEU A 86 -5.037 3.183 11.206 1.00 31.03 C ATOM 1383 CD2 LEU A 86 -7.140 2.104 12.025 1.00 53.34 C ATOM 0 H LEU A 86 -5.449 1.604 15.008 1.00 20.42 H new ATOM 0 HA LEU A 86 -3.307 0.288 13.799 1.00 11.51 H new ATOM 0 HB2 LEU A 86 -4.448 0.795 11.726 1.00 33.32 H new ATOM 0 HB3 LEU A 86 -5.625 0.370 12.953 1.00 33.32 H new ATOM 0 HG LEU A 86 -5.666 3.052 13.240 1.00 51.55 H new ATOM 0 HD11 LEU A 86 -5.602 4.094 11.007 1.00 31.03 H new ATOM 0 HD12 LEU A 86 -4.014 3.443 11.477 1.00 31.03 H new ATOM 0 HD13 LEU A 86 -5.028 2.559 10.312 1.00 31.03 H new ATOM 0 HD21 LEU A 86 -7.676 3.029 11.815 1.00 53.34 H new ATOM 0 HD22 LEU A 86 -7.183 1.453 11.152 1.00 53.34 H new ATOM 0 HD23 LEU A 86 -7.602 1.602 12.875 1.00 53.34 H new ATOM 1395 N GLU A 87 -2.936 3.484 13.972 1.00 63.33 N ATOM 1396 CA GLU A 87 -2.031 4.594 13.697 1.00 62.43 C ATOM 1397 C GLU A 87 -0.576 4.159 13.847 1.00 3.33 C ATOM 1398 O GLU A 87 0.102 3.867 12.861 1.00 3.13 O ATOM 1399 CB GLU A 87 -2.325 5.765 14.636 1.00 43.10 C ATOM 1400 CG GLU A 87 -1.282 6.868 14.578 1.00 45.40 C ATOM 1401 CD GLU A 87 -1.898 8.254 14.557 1.00 21.45 C ATOM 1402 OE1 GLU A 87 -2.392 8.700 15.614 1.00 24.31 O ATOM 1403 OE2 GLU A 87 -1.886 8.892 13.484 1.00 70.31 O ATOM 0 H GLU A 87 -3.647 3.683 14.676 1.00 63.33 H new ATOM 0 HA GLU A 87 -2.192 4.915 12.668 1.00 62.43 H new ATOM 0 HB2 GLU A 87 -3.299 6.184 14.386 1.00 43.10 H new ATOM 0 HB3 GLU A 87 -2.391 5.392 15.658 1.00 43.10 H new ATOM 0 HG2 GLU A 87 -0.620 6.782 15.439 1.00 45.40 H new ATOM 0 HG3 GLU A 87 -0.667 6.735 13.688 1.00 45.40 H new ATOM 1410 N LEU A 88 -0.102 4.120 15.088 1.00 62.03 N ATOM 1411 CA LEU A 88 1.273 3.722 15.369 1.00 2.12 C ATOM 1412 C LEU A 88 1.501 2.258 15.007 1.00 44.10 C ATOM 1413 O LEU A 88 2.621 1.852 14.694 1.00 53.22 O ATOM 1414 CB LEU A 88 1.599 3.951 16.846 1.00 31.42 C ATOM 1415 CG LEU A 88 1.205 2.824 17.802 1.00 1.24 C ATOM 1416 CD1 LEU A 88 -0.272 2.493 17.657 1.00 20.32 C ATOM 1417 CD2 LEU A 88 2.058 1.589 17.552 1.00 50.13 C ATOM 0 H LEU A 88 -0.649 4.359 15.915 1.00 62.03 H new ATOM 0 HA LEU A 88 1.935 4.335 14.758 1.00 2.12 H new ATOM 0 HB2 LEU A 88 2.672 4.121 16.939 1.00 31.42 H new ATOM 0 HB3 LEU A 88 1.102 4.866 17.170 1.00 31.42 H new ATOM 0 HG LEU A 88 1.382 3.162 18.823 1.00 1.24 H new ATOM 0 HD11 LEU A 88 -0.534 1.689 18.345 1.00 20.32 H new ATOM 0 HD12 LEU A 88 -0.867 3.376 17.888 1.00 20.32 H new ATOM 0 HD13 LEU A 88 -0.475 2.176 16.634 1.00 20.32 H new ATOM 0 HD21 LEU A 88 1.763 0.798 18.241 1.00 50.13 H new ATOM 0 HD22 LEU A 88 1.914 1.249 16.526 1.00 50.13 H new ATOM 0 HD23 LEU A 88 3.108 1.834 17.709 1.00 50.13 H new ATOM 1429 N VAL A 89 0.432 1.469 15.050 1.00 42.52 N ATOM 1430 CA VAL A 89 0.515 0.051 14.723 1.00 72.00 C ATOM 1431 C VAL A 89 0.974 -0.156 13.284 1.00 2.50 C ATOM 1432 O VAL A 89 1.573 -1.179 12.954 1.00 72.34 O ATOM 1433 CB VAL A 89 -0.842 -0.651 14.923 1.00 5.01 C ATOM 1434 CG1 VAL A 89 -0.967 -1.846 13.990 1.00 13.22 C ATOM 1435 CG2 VAL A 89 -1.012 -1.076 16.374 1.00 61.44 C ATOM 0 H VAL A 89 -0.502 1.788 15.308 1.00 42.52 H new ATOM 0 HA VAL A 89 1.247 -0.388 15.401 1.00 72.00 H new ATOM 0 HB VAL A 89 -1.637 0.054 14.679 1.00 5.01 H new ATOM 0 HG11 VAL A 89 -1.932 -2.329 14.145 1.00 13.22 H new ATOM 0 HG12 VAL A 89 -0.892 -1.510 12.956 1.00 13.22 H new ATOM 0 HG13 VAL A 89 -0.167 -2.556 14.199 1.00 13.22 H new ATOM 0 HG21 VAL A 89 -1.976 -1.570 16.498 1.00 61.44 H new ATOM 0 HG22 VAL A 89 -0.213 -1.765 16.647 1.00 61.44 H new ATOM 0 HG23 VAL A 89 -0.969 -0.197 17.018 1.00 61.44 H new ATOM 1445 N ASP A 90 0.690 0.823 12.432 1.00 5.51 N ATOM 1446 CA ASP A 90 1.076 0.750 11.028 1.00 51.44 C ATOM 1447 C ASP A 90 2.501 0.226 10.882 1.00 42.52 C ATOM 1448 O ASP A 90 2.746 -0.741 10.161 1.00 14.14 O ATOM 1449 CB ASP A 90 0.956 2.127 10.371 1.00 34.34 C ATOM 1450 CG ASP A 90 1.319 2.100 8.900 1.00 51.22 C ATOM 1451 OD1 ASP A 90 2.520 1.961 8.588 1.00 10.40 O ATOM 1452 OD2 ASP A 90 0.402 2.219 8.060 1.00 42.33 O ATOM 0 H ASP A 90 0.194 1.676 12.689 1.00 5.51 H new ATOM 0 HA ASP A 90 0.400 0.057 10.527 1.00 51.44 H new ATOM 0 HB2 ASP A 90 -0.065 2.492 10.484 1.00 34.34 H new ATOM 0 HB3 ASP A 90 1.606 2.832 10.890 1.00 34.34 H new ATOM 1457 N GLN A 91 3.437 0.873 11.569 1.00 21.14 N ATOM 1458 CA GLN A 91 4.838 0.473 11.514 1.00 21.43 C ATOM 1459 C GLN A 91 5.093 -0.739 12.405 1.00 64.14 C ATOM 1460 O GLN A 91 5.494 -1.801 11.926 1.00 75.21 O ATOM 1461 CB GLN A 91 5.739 1.633 11.941 1.00 20.21 C ATOM 1462 CG GLN A 91 5.811 2.755 10.919 1.00 53.44 C ATOM 1463 CD GLN A 91 4.906 3.921 11.267 1.00 21.12 C ATOM 1464 OE1 GLN A 91 5.167 4.662 12.215 1.00 13.04 O ATOM 1465 NE2 GLN A 91 3.835 4.090 10.500 1.00 22.53 N ATOM 0 H GLN A 91 3.251 1.676 12.170 1.00 21.14 H new ATOM 0 HA GLN A 91 5.072 0.201 10.485 1.00 21.43 H new ATOM 0 HB2 GLN A 91 5.375 2.036 12.886 1.00 20.21 H new ATOM 0 HB3 GLN A 91 6.744 1.253 12.123 1.00 20.21 H new ATOM 0 HG2 GLN A 91 6.840 3.108 10.845 1.00 53.44 H new ATOM 0 HG3 GLN A 91 5.536 2.366 9.939 1.00 53.44 H new ATOM 0 HE21 GLN A 91 3.657 3.452 9.724 1.00 22.53 H new ATOM 0 HE22 GLN A 91 3.190 4.858 10.686 1.00 22.53 H new ATOM 1474 N LEU A 92 4.860 -0.573 13.702 1.00 62.42 N ATOM 1475 CA LEU A 92 5.065 -1.654 14.660 1.00 2.12 C ATOM 1476 C LEU A 92 4.746 -3.007 14.032 1.00 13.32 C ATOM 1477 O LEU A 92 5.550 -3.937 14.095 1.00 54.22 O ATOM 1478 CB LEU A 92 4.195 -1.435 15.899 1.00 73.51 C ATOM 1479 CG LEU A 92 4.080 -2.622 16.856 1.00 35.32 C ATOM 1480 CD1 LEU A 92 3.017 -3.597 16.373 1.00 61.04 C ATOM 1481 CD2 LEU A 92 5.423 -3.323 17.001 1.00 54.11 C ATOM 0 H LEU A 92 4.529 0.299 14.115 1.00 62.42 H new ATOM 0 HA LEU A 92 6.114 -1.651 14.955 1.00 2.12 H new ATOM 0 HB2 LEU A 92 4.593 -0.585 16.453 1.00 73.51 H new ATOM 0 HB3 LEU A 92 3.193 -1.160 15.571 1.00 73.51 H new ATOM 0 HG LEU A 92 3.781 -2.247 17.835 1.00 35.32 H new ATOM 0 HD11 LEU A 92 2.950 -4.435 17.067 1.00 61.04 H new ATOM 0 HD12 LEU A 92 2.054 -3.089 16.323 1.00 61.04 H new ATOM 0 HD13 LEU A 92 3.285 -3.966 15.383 1.00 61.04 H new ATOM 0 HD21 LEU A 92 5.322 -4.165 17.686 1.00 54.11 H new ATOM 0 HD22 LEU A 92 5.752 -3.685 16.027 1.00 54.11 H new ATOM 0 HD23 LEU A 92 6.159 -2.622 17.395 1.00 54.11 H new ATOM 1493 N SER A 93 3.568 -3.108 13.425 1.00 35.23 N ATOM 1494 CA SER A 93 3.141 -4.348 12.787 1.00 52.33 C ATOM 1495 C SER A 93 4.077 -4.718 11.640 1.00 34.32 C ATOM 1496 O SER A 93 4.525 -5.860 11.534 1.00 61.32 O ATOM 1497 CB SER A 93 1.708 -4.212 12.267 1.00 3.31 C ATOM 1498 OG SER A 93 0.767 -4.476 13.293 1.00 54.34 O ATOM 0 H SER A 93 2.892 -2.346 13.361 1.00 35.23 H new ATOM 0 HA SER A 93 3.175 -5.142 13.533 1.00 52.33 H new ATOM 0 HB2 SER A 93 1.553 -3.206 11.877 1.00 3.31 H new ATOM 0 HB3 SER A 93 1.551 -4.903 11.439 1.00 3.31 H new ATOM 0 HG SER A 93 -0.132 -4.243 12.980 1.00 54.34 H new ATOM 1504 N HIS A 94 4.367 -3.744 10.784 1.00 64.35 N ATOM 1505 CA HIS A 94 5.250 -3.967 9.644 1.00 5.31 C ATOM 1506 C HIS A 94 6.697 -4.130 10.102 1.00 72.44 C ATOM 1507 O HIS A 94 7.592 -4.366 9.289 1.00 13.41 O ATOM 1508 CB HIS A 94 5.144 -2.805 8.655 1.00 24.25 C ATOM 1509 CG HIS A 94 5.166 -3.236 7.221 1.00 3.31 C ATOM 1510 ND1 HIS A 94 4.025 -3.382 6.462 1.00 74.22 N ATOM 1511 CD2 HIS A 94 6.201 -3.550 6.407 1.00 73.41 C ATOM 1512 CE1 HIS A 94 4.356 -3.770 5.243 1.00 33.02 C ATOM 1513 NE2 HIS A 94 5.671 -3.879 5.184 1.00 73.15 N ATOM 0 H HIS A 94 4.004 -2.794 10.857 1.00 64.35 H new ATOM 0 HA HIS A 94 4.938 -4.886 9.148 1.00 5.31 H new ATOM 0 HB2 HIS A 94 4.221 -2.258 8.847 1.00 24.25 H new ATOM 0 HB3 HIS A 94 5.967 -2.113 8.831 1.00 24.25 H new ATOM 0 HD2 HIS A 94 7.248 -3.543 6.670 1.00 73.41 H new ATOM 0 HE1 HIS A 94 3.669 -3.965 4.433 1.00 33.02 H new ATOM 0 HE2 HIS A 94 6.206 -4.162 4.363 1.00 73.15 H new ATOM 1521 N ILE A 95 6.918 -4.004 11.406 1.00 53.24 N ATOM 1522 CA ILE A 95 8.255 -4.138 11.970 1.00 71.10 C ATOM 1523 C ILE A 95 8.438 -5.500 12.631 1.00 2.24 C ATOM 1524 O ILE A 95 9.515 -6.093 12.565 1.00 23.45 O ATOM 1525 CB ILE A 95 8.543 -3.034 13.005 1.00 73.42 C ATOM 1526 CG1 ILE A 95 8.585 -1.665 12.324 1.00 40.13 C ATOM 1527 CG2 ILE A 95 9.852 -3.314 13.727 1.00 44.33 C ATOM 1528 CD1 ILE A 95 8.545 -0.506 13.295 1.00 52.34 C ATOM 0 H ILE A 95 6.188 -3.809 12.092 1.00 53.24 H new ATOM 0 HA ILE A 95 8.958 -4.041 11.143 1.00 71.10 H new ATOM 0 HB ILE A 95 7.739 -3.027 13.741 1.00 73.42 H new ATOM 0 HG12 ILE A 95 9.492 -1.594 11.724 1.00 40.13 H new ATOM 0 HG13 ILE A 95 7.742 -1.583 11.638 1.00 40.13 H new ATOM 0 HG21 ILE A 95 10.042 -2.525 14.455 1.00 44.33 H new ATOM 0 HG22 ILE A 95 9.786 -4.273 14.240 1.00 44.33 H new ATOM 0 HG23 ILE A 95 10.667 -3.344 13.004 1.00 44.33 H new ATOM 0 HD11 ILE A 95 8.578 0.433 12.742 1.00 52.34 H new ATOM 0 HD12 ILE A 95 7.625 -0.552 13.878 1.00 52.34 H new ATOM 0 HD13 ILE A 95 9.403 -0.563 13.965 1.00 52.34 H new