USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 878 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 76 CYS SG : rot 174:sc= 0.0753 USER MOD Set 1.2: A 102 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 72 SER OG : rot 95:sc= 0.172 USER MOD Set 2.2: A 74 SER OG : rot 61:sc= 1.06 USER MOD Single : A 13 SER OG : rot 31:sc= 0.018 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 THR OG1 : rot 77:sc= 1.16 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= -0.0319 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -170:sc= -0.0285 (180deg=-0.184) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0.272 K(o=0.27,f=-1.9) USER MOD Single : A 44 SER OG : rot 80:sc= 0.818 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 CYS SG : rot -22:sc= -3.28! USER MOD Single : A 62 THR OG1 : rot 93:sc= 1.01 USER MOD Single : A 65 LYS NZ :NH3+ -141:sc= -1.79! (180deg=-4.03!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 1.72 K(o=1.7,f=-5.3!) USER MOD Single : A 87 CYS SG : rot 80:sc= 0.0944 USER MOD Single : A 90 SER OG : rot 160:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -0.566 K(o=-0.57,f=-4.9!) USER MOD Single : A 103 GLN : amide:sc= -0.0268 X(o=-0.027,f=-0.52) USER MOD Single : A 105 GLN : amide:sc= -0.166 X(o=-0.17,f=-0.03) USER MOD Single : A 106 ASN : amide:sc= 0.928 K(o=0.93,f=0) USER MOD Single : A 108 ASN : amide:sc= -0.479 X(o=-0.48,f=-0.28) USER MOD Single : A 109 LYS NZ :NH3+ 172:sc= 2.3 (180deg=1.67) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 87:sc= 0.64 USER MOD Single : A 116 THR OG1 : rot 69:sc= 1.14 USER MOD Single : A 118 ASN : amide:sc= 0.86 K(o=0.86,f=-0.028) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 THR OG1 : rot -81:sc= 1.11 USER MOD ----------------------------------------------------------------- ATOM 195 N SER A 13 3.275 6.620 -12.985 1.00 45.11 N ATOM 196 CA SER A 13 2.108 6.207 -12.187 1.00 75.43 C ATOM 197 C SER A 13 2.397 6.313 -10.685 1.00 64.34 C ATOM 198 O SER A 13 1.490 6.507 -9.876 1.00 11.33 O ATOM 199 CB SER A 13 1.692 4.771 -12.536 1.00 41.35 C ATOM 200 OG SER A 13 1.280 4.668 -13.892 1.00 35.32 O ATOM 0 HA SER A 13 1.288 6.883 -12.430 1.00 75.43 H new ATOM 0 HB2 SER A 13 2.527 4.094 -12.355 1.00 41.35 H new ATOM 0 HB3 SER A 13 0.879 4.456 -11.882 1.00 41.35 H new ATOM 0 HG SER A 13 1.770 5.322 -14.433 1.00 35.32 H new ATOM 206 N ALA A 14 3.672 6.196 -10.322 1.00 65.02 N ATOM 207 CA ALA A 14 4.102 6.347 -8.933 1.00 1.21 C ATOM 208 C ALA A 14 3.864 7.774 -8.409 1.00 2.11 C ATOM 209 O ALA A 14 3.471 7.957 -7.257 1.00 5.12 O ATOM 210 CB ALA A 14 5.571 5.976 -8.797 1.00 64.31 C ATOM 0 H ALA A 14 4.430 5.996 -10.975 1.00 65.02 H new ATOM 0 HA ALA A 14 3.500 5.671 -8.327 1.00 1.21 H new ATOM 0 HB1 ALA A 14 5.881 6.092 -7.758 1.00 64.31 H new ATOM 0 HB2 ALA A 14 5.715 4.940 -9.105 1.00 64.31 H new ATOM 0 HB3 ALA A 14 6.171 6.629 -9.430 1.00 64.31 H new ATOM 216 N GLU A 15 4.093 8.775 -9.265 1.00 1.21 N ATOM 217 CA GLU A 15 3.936 10.187 -8.880 1.00 34.24 C ATOM 218 C GLU A 15 2.554 10.466 -8.267 1.00 63.54 C ATOM 219 O GLU A 15 2.453 10.930 -7.130 1.00 22.43 O ATOM 220 CB GLU A 15 4.155 11.105 -10.092 1.00 75.12 C ATOM 221 CG GLU A 15 5.592 11.131 -10.607 1.00 2.23 C ATOM 222 CD GLU A 15 5.781 12.079 -11.786 1.00 54.44 C ATOM 223 OE1 GLU A 15 5.698 13.307 -11.581 1.00 34.31 O ATOM 224 OE2 GLU A 15 6.021 11.606 -12.919 1.00 51.41 O ATOM 0 H GLU A 15 4.388 8.636 -10.231 1.00 1.21 H new ATOM 0 HA GLU A 15 4.691 10.396 -8.122 1.00 34.24 H new ATOM 0 HB2 GLU A 15 3.497 10.784 -10.900 1.00 75.12 H new ATOM 0 HB3 GLU A 15 3.859 12.119 -9.824 1.00 75.12 H new ATOM 0 HG2 GLU A 15 6.258 11.429 -9.797 1.00 2.23 H new ATOM 0 HG3 GLU A 15 5.884 10.124 -10.906 1.00 2.23 H new ATOM 231 N GLN A 16 1.492 10.178 -9.021 1.00 61.52 N ATOM 232 CA GLN A 16 0.127 10.409 -8.535 1.00 24.32 C ATOM 233 C GLN A 16 -0.187 9.524 -7.319 1.00 42.13 C ATOM 234 O GLN A 16 -0.939 9.924 -6.435 1.00 24.14 O ATOM 235 CB GLN A 16 -0.913 10.165 -9.643 1.00 74.31 C ATOM 236 CG GLN A 16 -1.071 8.704 -10.052 1.00 50.14 C ATOM 237 CD GLN A 16 -2.262 8.483 -10.975 1.00 11.04 C ATOM 238 OE1 GLN A 16 -3.380 8.254 -10.522 1.00 55.42 O ATOM 239 NE2 GLN A 16 -2.034 8.540 -12.272 1.00 62.02 N ATOM 0 H GLN A 16 1.547 9.788 -9.962 1.00 61.52 H new ATOM 0 HA GLN A 16 0.068 11.454 -8.231 1.00 24.32 H new ATOM 0 HB2 GLN A 16 -1.879 10.541 -9.306 1.00 74.31 H new ATOM 0 HB3 GLN A 16 -0.633 10.747 -10.521 1.00 74.31 H new ATOM 0 HG2 GLN A 16 -0.162 8.369 -10.551 1.00 50.14 H new ATOM 0 HG3 GLN A 16 -1.189 8.091 -9.159 1.00 50.14 H new ATOM 0 HE21 GLN A 16 -1.093 8.732 -12.616 1.00 62.02 H new ATOM 0 HE22 GLN A 16 -2.798 8.392 -12.931 1.00 62.02 H new ATOM 248 N THR A 17 0.404 8.325 -7.274 1.00 51.44 N ATOM 249 CA THR A 17 0.213 7.410 -6.137 1.00 42.01 C ATOM 250 C THR A 17 0.746 8.028 -4.837 1.00 44.33 C ATOM 251 O THR A 17 0.130 7.897 -3.780 1.00 54.24 O ATOM 252 CB THR A 17 0.900 6.040 -6.368 1.00 20.53 C ATOM 253 OG1 THR A 17 0.392 5.429 -7.563 1.00 64.04 O ATOM 254 CG2 THR A 17 0.673 5.096 -5.188 1.00 2.04 C ATOM 0 H THR A 17 1.016 7.964 -8.006 1.00 51.44 H new ATOM 0 HA THR A 17 -0.861 7.246 -6.050 1.00 42.01 H new ATOM 0 HB THR A 17 1.970 6.221 -6.468 1.00 20.53 H new ATOM 0 HG1 THR A 17 0.797 5.856 -8.346 1.00 64.04 H new ATOM 0 HG21 THR A 17 1.168 4.145 -5.383 1.00 2.04 H new ATOM 0 HG22 THR A 17 1.085 5.541 -4.282 1.00 2.04 H new ATOM 0 HG23 THR A 17 -0.396 4.929 -5.056 1.00 2.04 H new ATOM 262 N VAL A 18 1.891 8.709 -4.921 1.00 42.12 N ATOM 263 CA VAL A 18 2.440 9.438 -3.771 1.00 70.33 C ATOM 264 C VAL A 18 1.426 10.468 -3.251 1.00 62.31 C ATOM 265 O VAL A 18 1.022 10.427 -2.089 1.00 43.25 O ATOM 266 CB VAL A 18 3.764 10.166 -4.129 1.00 40.32 C ATOM 267 CG1 VAL A 18 4.308 10.942 -2.931 1.00 62.22 C ATOM 268 CG2 VAL A 18 4.806 9.181 -4.653 1.00 14.05 C ATOM 0 H VAL A 18 2.455 8.772 -5.768 1.00 42.12 H new ATOM 0 HA VAL A 18 2.648 8.700 -2.996 1.00 70.33 H new ATOM 0 HB VAL A 18 3.544 10.881 -4.922 1.00 40.32 H new ATOM 0 HG11 VAL A 18 5.235 11.441 -3.212 1.00 62.22 H new ATOM 0 HG12 VAL A 18 3.576 11.686 -2.617 1.00 62.22 H new ATOM 0 HG13 VAL A 18 4.501 10.253 -2.109 1.00 62.22 H new ATOM 0 HG21 VAL A 18 5.723 9.717 -4.896 1.00 14.05 H new ATOM 0 HG22 VAL A 18 5.015 8.432 -3.889 1.00 14.05 H new ATOM 0 HG23 VAL A 18 4.425 8.690 -5.548 1.00 14.05 H new ATOM 278 N THR A 19 1.007 11.380 -4.130 1.00 0.10 N ATOM 279 CA THR A 19 -0.003 12.393 -3.789 1.00 21.34 C ATOM 280 C THR A 19 -1.297 11.740 -3.272 1.00 13.31 C ATOM 281 O THR A 19 -1.939 12.241 -2.346 1.00 41.21 O ATOM 282 CB THR A 19 -0.342 13.279 -5.015 1.00 45.53 C ATOM 283 OG1 THR A 19 0.862 13.845 -5.560 1.00 75.55 O ATOM 284 CG2 THR A 19 -1.309 14.399 -4.639 1.00 15.14 C ATOM 0 H THR A 19 1.351 11.441 -5.088 1.00 0.10 H new ATOM 0 HA THR A 19 0.424 13.014 -3.002 1.00 21.34 H new ATOM 0 HB THR A 19 -0.822 12.648 -5.763 1.00 45.53 H new ATOM 0 HG1 THR A 19 0.640 14.402 -6.335 1.00 75.55 H new ATOM 0 HG21 THR A 19 -1.527 15.003 -5.520 1.00 15.14 H new ATOM 0 HG22 THR A 19 -2.234 13.968 -4.257 1.00 15.14 H new ATOM 0 HG23 THR A 19 -0.857 15.027 -3.872 1.00 15.14 H new ATOM 292 N TRP A 20 -1.662 10.612 -3.876 1.00 41.12 N ATOM 293 CA TRP A 20 -2.854 9.847 -3.487 1.00 35.51 C ATOM 294 C TRP A 20 -2.763 9.361 -2.027 1.00 23.53 C ATOM 295 O TRP A 20 -3.715 9.491 -1.255 1.00 62.43 O ATOM 296 CB TRP A 20 -3.027 8.661 -4.448 1.00 41.11 C ATOM 297 CG TRP A 20 -4.225 7.800 -4.175 1.00 22.24 C ATOM 298 CD1 TRP A 20 -5.516 8.210 -4.008 1.00 33.34 C ATOM 299 CD2 TRP A 20 -4.239 6.371 -4.071 1.00 75.45 C ATOM 300 NE1 TRP A 20 -6.329 7.123 -3.798 1.00 13.34 N ATOM 301 CE2 TRP A 20 -5.569 5.984 -3.832 1.00 45.42 C ATOM 302 CE3 TRP A 20 -3.253 5.383 -4.155 1.00 0.23 C ATOM 303 CZ2 TRP A 20 -5.938 4.654 -3.675 1.00 4.41 C ATOM 304 CZ3 TRP A 20 -3.619 4.060 -3.999 1.00 53.42 C ATOM 305 CH2 TRP A 20 -4.954 3.706 -3.762 1.00 40.23 C ATOM 0 H TRP A 20 -1.142 10.198 -4.650 1.00 41.12 H new ATOM 0 HA TRP A 20 -3.726 10.498 -3.552 1.00 35.51 H new ATOM 0 HB2 TRP A 20 -3.096 9.044 -5.466 1.00 41.11 H new ATOM 0 HB3 TRP A 20 -2.132 8.040 -4.401 1.00 41.11 H new ATOM 0 HD1 TRP A 20 -5.849 9.237 -4.037 1.00 33.34 H new ATOM 0 HE1 TRP A 20 -7.336 7.158 -3.642 1.00 13.34 H new ATOM 0 HE3 TRP A 20 -2.223 5.650 -4.339 1.00 0.23 H new ATOM 0 HZ2 TRP A 20 -6.966 4.377 -3.491 1.00 4.41 H new ATOM 0 HZ3 TRP A 20 -2.866 3.288 -4.061 1.00 53.42 H new ATOM 0 HH2 TRP A 20 -5.212 2.664 -3.646 1.00 40.23 H new ATOM 316 N LEU A 21 -1.609 8.821 -1.649 1.00 21.25 N ATOM 317 CA LEU A 21 -1.380 8.379 -0.270 1.00 22.43 C ATOM 318 C LEU A 21 -1.379 9.570 0.706 1.00 22.43 C ATOM 319 O LEU A 21 -1.812 9.451 1.857 1.00 35.03 O ATOM 320 CB LEU A 21 -0.051 7.614 -0.170 1.00 72.14 C ATOM 321 CG LEU A 21 0.041 6.331 -1.015 1.00 31.41 C ATOM 322 CD1 LEU A 21 1.406 5.671 -0.847 1.00 33.43 C ATOM 323 CD2 LEU A 21 -1.079 5.358 -0.655 1.00 12.44 C ATOM 0 H LEU A 21 -0.816 8.677 -2.274 1.00 21.25 H new ATOM 0 HA LEU A 21 -2.197 7.714 0.009 1.00 22.43 H new ATOM 0 HB2 LEU A 21 0.756 8.283 -0.468 1.00 72.14 H new ATOM 0 HB3 LEU A 21 0.120 7.353 0.874 1.00 72.14 H new ATOM 0 HG LEU A 21 -0.078 6.608 -2.063 1.00 31.41 H new ATOM 0 HD11 LEU A 21 1.450 4.766 -1.453 1.00 33.43 H new ATOM 0 HD12 LEU A 21 2.186 6.361 -1.169 1.00 33.43 H new ATOM 0 HD13 LEU A 21 1.559 5.414 0.201 1.00 33.43 H new ATOM 0 HD21 LEU A 21 -0.991 4.460 -1.266 1.00 12.44 H new ATOM 0 HD22 LEU A 21 -1.003 5.089 0.398 1.00 12.44 H new ATOM 0 HD23 LEU A 21 -2.044 5.830 -0.840 1.00 12.44 H new ATOM 335 N ILE A 22 -0.900 10.721 0.236 1.00 21.30 N ATOM 336 CA ILE A 22 -0.868 11.940 1.053 1.00 3.34 C ATOM 337 C ILE A 22 -2.286 12.488 1.314 1.00 2.10 C ATOM 338 O ILE A 22 -2.653 12.757 2.461 1.00 41.13 O ATOM 339 CB ILE A 22 -0.011 13.044 0.381 1.00 63.20 C ATOM 340 CG1 ILE A 22 1.426 12.546 0.156 1.00 41.50 C ATOM 341 CG2 ILE A 22 -0.010 14.322 1.224 1.00 64.50 C ATOM 342 CD1 ILE A 22 2.289 13.499 -0.646 1.00 4.15 C ATOM 0 H ILE A 22 -0.528 10.838 -0.706 1.00 21.30 H new ATOM 0 HA ILE A 22 -0.417 11.665 2.006 1.00 3.34 H new ATOM 0 HB ILE A 22 -0.454 13.277 -0.588 1.00 63.20 H new ATOM 0 HG12 ILE A 22 1.896 12.374 1.124 1.00 41.50 H new ATOM 0 HG13 ILE A 22 1.391 11.585 -0.357 1.00 41.50 H new ATOM 0 HG21 ILE A 22 0.598 15.082 0.732 1.00 64.50 H new ATOM 0 HG22 ILE A 22 -1.031 14.688 1.332 1.00 64.50 H new ATOM 0 HG23 ILE A 22 0.404 14.108 2.209 1.00 64.50 H new ATOM 0 HD11 ILE A 22 3.287 13.076 -0.761 1.00 4.15 H new ATOM 0 HD12 ILE A 22 1.844 13.653 -1.629 1.00 4.15 H new ATOM 0 HD13 ILE A 22 2.357 14.454 -0.125 1.00 4.15 H new ATOM 354 N THR A 23 -3.081 12.635 0.250 1.00 14.11 N ATOM 355 CA THR A 23 -4.443 13.194 0.363 1.00 64.11 C ATOM 356 C THR A 23 -5.369 12.312 1.215 1.00 3.33 C ATOM 357 O THR A 23 -6.290 12.812 1.868 1.00 20.33 O ATOM 358 CB THR A 23 -5.099 13.418 -1.026 1.00 35.20 C ATOM 359 OG1 THR A 23 -6.421 13.954 -0.869 1.00 53.50 O ATOM 360 CG2 THR A 23 -5.176 12.125 -1.830 1.00 55.40 C ATOM 0 H THR A 23 -2.811 12.377 -0.699 1.00 14.11 H new ATOM 0 HA THR A 23 -4.321 14.157 0.859 1.00 64.11 H new ATOM 0 HB THR A 23 -4.472 14.124 -1.570 1.00 35.20 H new ATOM 0 HG1 THR A 23 -6.825 14.093 -1.751 1.00 53.50 H new ATOM 0 HG21 THR A 23 -5.641 12.324 -2.795 1.00 55.40 H new ATOM 0 HG22 THR A 23 -4.171 11.733 -1.985 1.00 55.40 H new ATOM 0 HG23 THR A 23 -5.771 11.392 -1.285 1.00 55.40 H new ATOM 368 N LEU A 24 -5.131 11.001 1.203 1.00 33.23 N ATOM 369 CA LEU A 24 -5.908 10.068 2.030 1.00 32.03 C ATOM 370 C LEU A 24 -5.432 10.077 3.494 1.00 60.32 C ATOM 371 O LEU A 24 -6.024 9.420 4.351 1.00 43.31 O ATOM 372 CB LEU A 24 -5.823 8.646 1.457 1.00 0.22 C ATOM 373 CG LEU A 24 -6.413 8.466 0.048 1.00 3.24 C ATOM 374 CD1 LEU A 24 -6.240 7.028 -0.427 1.00 74.01 C ATOM 375 CD2 LEU A 24 -7.888 8.860 0.017 1.00 55.30 C ATOM 0 H LEU A 24 -4.410 10.559 0.633 1.00 33.23 H new ATOM 0 HA LEU A 24 -6.946 10.399 2.013 1.00 32.03 H new ATOM 0 HB2 LEU A 24 -4.776 8.343 1.435 1.00 0.22 H new ATOM 0 HB3 LEU A 24 -6.337 7.967 2.137 1.00 0.22 H new ATOM 0 HG LEU A 24 -5.869 9.125 -0.629 1.00 3.24 H new ATOM 0 HD11 LEU A 24 -6.664 6.921 -1.426 1.00 74.01 H new ATOM 0 HD12 LEU A 24 -5.179 6.779 -0.454 1.00 74.01 H new ATOM 0 HD13 LEU A 24 -6.753 6.354 0.259 1.00 74.01 H new ATOM 0 HD21 LEU A 24 -8.280 8.723 -0.991 1.00 55.30 H new ATOM 0 HD22 LEU A 24 -8.447 8.233 0.712 1.00 55.30 H new ATOM 0 HD23 LEU A 24 -7.992 9.905 0.308 1.00 55.30 H new ATOM 387 N GLY A 25 -4.358 10.819 3.767 1.00 24.24 N ATOM 388 CA GLY A 25 -3.840 10.941 5.128 1.00 64.41 C ATOM 389 C GLY A 25 -3.082 9.707 5.614 1.00 64.53 C ATOM 390 O GLY A 25 -2.731 9.612 6.791 1.00 12.52 O ATOM 0 H GLY A 25 -3.833 11.342 3.066 1.00 24.24 H new ATOM 0 HA2 GLY A 25 -3.178 11.805 5.178 1.00 64.41 H new ATOM 0 HA3 GLY A 25 -4.671 11.136 5.806 1.00 64.41 H new ATOM 394 N VAL A 26 -2.812 8.763 4.711 1.00 40.52 N ATOM 395 CA VAL A 26 -2.149 7.505 5.090 1.00 1.33 C ATOM 396 C VAL A 26 -0.619 7.643 5.091 1.00 2.12 C ATOM 397 O VAL A 26 0.082 6.948 5.834 1.00 74.22 O ATOM 398 CB VAL A 26 -2.569 6.342 4.157 1.00 71.33 C ATOM 399 CG1 VAL A 26 -4.090 6.249 4.084 1.00 40.31 C ATOM 400 CG2 VAL A 26 -1.969 6.492 2.761 1.00 12.44 C ATOM 0 H VAL A 26 -3.038 8.840 3.719 1.00 40.52 H new ATOM 0 HA VAL A 26 -2.473 7.276 6.105 1.00 1.33 H new ATOM 0 HB VAL A 26 -2.178 5.416 4.580 1.00 71.33 H new ATOM 0 HG11 VAL A 26 -4.373 5.428 3.425 1.00 40.31 H new ATOM 0 HG12 VAL A 26 -4.492 6.069 5.081 1.00 40.31 H new ATOM 0 HG13 VAL A 26 -4.493 7.183 3.693 1.00 40.31 H new ATOM 0 HG21 VAL A 26 -2.287 5.657 2.137 1.00 12.44 H new ATOM 0 HG22 VAL A 26 -2.310 7.427 2.317 1.00 12.44 H new ATOM 0 HG23 VAL A 26 -0.881 6.499 2.831 1.00 12.44 H new ATOM 410 N LEU A 27 -0.112 8.546 4.253 1.00 13.12 N ATOM 411 CA LEU A 27 1.325 8.816 4.163 1.00 75.00 C ATOM 412 C LEU A 27 1.603 10.322 4.290 1.00 31.01 C ATOM 413 O LEU A 27 0.819 11.150 3.819 1.00 71.12 O ATOM 414 CB LEU A 27 1.884 8.288 2.832 1.00 40.15 C ATOM 415 CG LEU A 27 3.403 8.447 2.639 1.00 15.15 C ATOM 416 CD1 LEU A 27 4.175 7.680 3.710 1.00 50.22 C ATOM 417 CD2 LEU A 27 3.823 7.991 1.242 1.00 4.35 C ATOM 0 H LEU A 27 -0.680 9.109 3.620 1.00 13.12 H new ATOM 0 HA LEU A 27 1.822 8.301 4.985 1.00 75.00 H new ATOM 0 HB2 LEU A 27 1.634 7.230 2.747 1.00 40.15 H new ATOM 0 HB3 LEU A 27 1.376 8.802 2.016 1.00 40.15 H new ATOM 0 HG LEU A 27 3.644 9.505 2.741 1.00 15.15 H new ATOM 0 HD11 LEU A 27 5.245 7.809 3.550 1.00 50.22 H new ATOM 0 HD12 LEU A 27 3.907 8.061 4.695 1.00 50.22 H new ATOM 0 HD13 LEU A 27 3.925 6.621 3.650 1.00 50.22 H new ATOM 0 HD21 LEU A 27 4.900 8.112 1.128 1.00 4.35 H new ATOM 0 HD22 LEU A 27 3.560 6.942 1.107 1.00 4.35 H new ATOM 0 HD23 LEU A 27 3.309 8.593 0.493 1.00 4.35 H new ATOM 429 N GLU A 28 2.714 10.669 4.935 1.00 35.41 N ATOM 430 CA GLU A 28 3.104 12.070 5.118 1.00 44.12 C ATOM 431 C GLU A 28 3.615 12.696 3.810 1.00 51.53 C ATOM 432 O GLU A 28 3.997 11.994 2.873 1.00 73.14 O ATOM 433 CB GLU A 28 4.181 12.180 6.208 1.00 5.12 C ATOM 434 CG GLU A 28 5.456 11.401 5.895 1.00 21.44 C ATOM 435 CD GLU A 28 6.512 11.548 6.977 1.00 1.23 C ATOM 436 OE1 GLU A 28 6.472 10.782 7.965 1.00 73.44 O ATOM 437 OE2 GLU A 28 7.379 12.437 6.852 1.00 40.23 O ATOM 0 H GLU A 28 3.365 9.998 5.343 1.00 35.41 H new ATOM 0 HA GLU A 28 2.216 12.622 5.426 1.00 44.12 H new ATOM 0 HB2 GLU A 28 4.434 13.231 6.351 1.00 5.12 H new ATOM 0 HB3 GLU A 28 3.769 11.820 7.151 1.00 5.12 H new ATOM 0 HG2 GLU A 28 5.212 10.346 5.772 1.00 21.44 H new ATOM 0 HG3 GLU A 28 5.864 11.746 4.945 1.00 21.44 H new ATOM 444 N SER A 29 3.618 14.024 3.757 1.00 42.20 N ATOM 445 CA SER A 29 4.085 14.759 2.573 1.00 62.23 C ATOM 446 C SER A 29 5.615 14.910 2.564 1.00 43.55 C ATOM 447 O SER A 29 6.228 15.167 3.605 1.00 34.12 O ATOM 448 CB SER A 29 3.431 16.145 2.521 1.00 3.13 C ATOM 449 OG SER A 29 3.890 16.898 1.408 1.00 62.04 O ATOM 0 H SER A 29 3.302 14.621 4.521 1.00 42.20 H new ATOM 0 HA SER A 29 3.797 14.183 1.694 1.00 62.23 H new ATOM 0 HB2 SER A 29 2.348 16.035 2.465 1.00 3.13 H new ATOM 0 HB3 SER A 29 3.649 16.686 3.442 1.00 3.13 H new ATOM 0 HG SER A 29 3.453 17.775 1.404 1.00 62.04 H new ATOM 455 N PRO A 30 6.258 14.763 1.385 1.00 61.24 N ATOM 456 CA PRO A 30 7.720 14.899 1.258 1.00 45.11 C ATOM 457 C PRO A 30 8.208 16.342 1.482 1.00 22.21 C ATOM 458 O PRO A 30 7.416 17.289 1.523 1.00 53.12 O ATOM 459 CB PRO A 30 7.992 14.454 -0.188 1.00 52.42 C ATOM 460 CG PRO A 30 6.713 14.723 -0.908 1.00 54.32 C ATOM 461 CD PRO A 30 5.620 14.450 0.090 1.00 3.35 C ATOM 0 HA PRO A 30 8.248 14.311 2.009 1.00 45.11 H new ATOM 0 HB2 PRO A 30 8.819 15.012 -0.626 1.00 52.42 H new ATOM 0 HB3 PRO A 30 8.260 13.398 -0.235 1.00 52.42 H new ATOM 0 HG2 PRO A 30 6.672 15.753 -1.262 1.00 54.32 H new ATOM 0 HG3 PRO A 30 6.614 14.081 -1.783 1.00 54.32 H new ATOM 0 HD2 PRO A 30 4.746 15.076 -0.090 1.00 3.35 H new ATOM 0 HD3 PRO A 30 5.285 13.414 0.046 1.00 3.35 H new ATOM 469 N LYS A 31 9.520 16.504 1.609 1.00 13.34 N ATOM 470 CA LYS A 31 10.119 17.815 1.872 1.00 5.35 C ATOM 471 C LYS A 31 10.625 18.472 0.577 1.00 1.02 C ATOM 472 O LYS A 31 10.360 19.648 0.317 1.00 32.10 O ATOM 473 CB LYS A 31 11.272 17.663 2.873 1.00 11.31 C ATOM 474 CG LYS A 31 10.864 17.004 4.191 1.00 43.33 C ATOM 475 CD LYS A 31 9.903 17.874 5.000 1.00 11.11 C ATOM 476 CE LYS A 31 10.578 19.149 5.491 1.00 52.24 C ATOM 477 NZ LYS A 31 9.655 20.016 6.267 1.00 31.34 N ATOM 0 H LYS A 31 10.195 15.743 1.534 1.00 13.34 H new ATOM 0 HA LYS A 31 9.351 18.463 2.294 1.00 5.35 H new ATOM 0 HB2 LYS A 31 12.064 17.073 2.413 1.00 11.31 H new ATOM 0 HB3 LYS A 31 11.689 18.648 3.084 1.00 11.31 H new ATOM 0 HG2 LYS A 31 10.394 16.043 3.984 1.00 43.33 H new ATOM 0 HG3 LYS A 31 11.755 16.802 4.785 1.00 43.33 H new ATOM 0 HD2 LYS A 31 9.040 18.132 4.386 1.00 11.11 H new ATOM 0 HD3 LYS A 31 9.529 17.308 5.853 1.00 11.11 H new ATOM 0 HE2 LYS A 31 11.435 18.887 6.112 1.00 52.24 H new ATOM 0 HE3 LYS A 31 10.962 19.706 4.636 1.00 52.24 H new ATOM 0 HZ1 LYS A 31 10.160 20.870 6.579 1.00 31.34 H new ATOM 0 HZ2 LYS A 31 8.850 20.289 5.668 1.00 31.34 H new ATOM 0 HZ3 LYS A 31 9.307 19.497 7.098 1.00 31.34 H new ATOM 491 N LYS A 32 11.344 17.701 -0.241 1.00 14.35 N ATOM 492 CA LYS A 32 11.950 18.226 -1.475 1.00 23.12 C ATOM 493 C LYS A 32 11.628 17.337 -2.692 1.00 14.24 C ATOM 494 O LYS A 32 10.712 16.514 -2.648 1.00 62.55 O ATOM 495 CB LYS A 32 13.472 18.358 -1.294 1.00 11.01 C ATOM 496 CG LYS A 32 13.876 19.261 -0.131 1.00 43.34 C ATOM 497 CD LYS A 32 15.383 19.481 -0.074 1.00 71.50 C ATOM 498 CE LYS A 32 15.787 20.315 1.138 1.00 32.51 C ATOM 499 NZ LYS A 32 15.078 21.622 1.187 1.00 72.14 N ATOM 0 H LYS A 32 11.523 16.711 -0.075 1.00 14.35 H new ATOM 0 HA LYS A 32 11.522 19.210 -1.668 1.00 23.12 H new ATOM 0 HB2 LYS A 32 13.898 17.367 -1.138 1.00 11.01 H new ATOM 0 HB3 LYS A 32 13.906 18.750 -2.214 1.00 11.01 H new ATOM 0 HG2 LYS A 32 13.373 20.223 -0.228 1.00 43.34 H new ATOM 0 HG3 LYS A 32 13.539 18.818 0.806 1.00 43.34 H new ATOM 0 HD2 LYS A 32 15.890 18.517 -0.038 1.00 71.50 H new ATOM 0 HD3 LYS A 32 15.712 19.980 -0.985 1.00 71.50 H new ATOM 0 HE2 LYS A 32 15.575 19.755 2.049 1.00 32.51 H new ATOM 0 HE3 LYS A 32 16.863 20.489 1.114 1.00 32.51 H new ATOM 0 HZ1 LYS A 32 15.503 22.220 1.924 1.00 72.14 H new ATOM 0 HZ2 LYS A 32 15.161 22.097 0.265 1.00 72.14 H new ATOM 0 HZ3 LYS A 32 14.074 21.464 1.406 1.00 72.14 H new ATOM 513 N THR A 33 12.381 17.524 -3.781 1.00 15.43 N ATOM 514 CA THR A 33 12.147 16.792 -5.035 1.00 61.21 C ATOM 515 C THR A 33 12.427 15.286 -4.893 1.00 51.11 C ATOM 516 O THR A 33 13.554 14.872 -4.605 1.00 62.13 O ATOM 517 CB THR A 33 13.022 17.351 -6.189 1.00 21.33 C ATOM 518 OG1 THR A 33 12.787 18.756 -6.361 1.00 73.41 O ATOM 519 CG2 THR A 33 12.736 16.628 -7.503 1.00 53.52 C ATOM 0 H THR A 33 13.162 18.179 -3.821 1.00 15.43 H new ATOM 0 HA THR A 33 11.092 16.933 -5.270 1.00 61.21 H new ATOM 0 HB THR A 33 14.065 17.185 -5.919 1.00 21.33 H new ATOM 0 HG1 THR A 33 13.347 19.094 -7.091 1.00 73.41 H new ATOM 0 HG21 THR A 33 13.365 17.043 -8.291 1.00 53.52 H new ATOM 0 HG22 THR A 33 12.952 15.566 -7.388 1.00 53.52 H new ATOM 0 HG23 THR A 33 11.687 16.759 -7.769 1.00 53.52 H new ATOM 527 N ILE A 34 11.395 14.470 -5.104 1.00 35.42 N ATOM 528 CA ILE A 34 11.540 13.011 -5.090 1.00 22.35 C ATOM 529 C ILE A 34 12.131 12.513 -6.420 1.00 14.43 C ATOM 530 O ILE A 34 11.467 12.556 -7.457 1.00 10.13 O ATOM 531 CB ILE A 34 10.177 12.314 -4.842 1.00 34.52 C ATOM 532 CG1 ILE A 34 9.575 12.762 -3.497 1.00 12.21 C ATOM 533 CG2 ILE A 34 10.331 10.791 -4.887 1.00 64.52 C ATOM 534 CD1 ILE A 34 8.224 12.147 -3.194 1.00 5.41 C ATOM 0 H ILE A 34 10.445 14.794 -5.287 1.00 35.42 H new ATOM 0 HA ILE A 34 12.218 12.758 -4.275 1.00 22.35 H new ATOM 0 HB ILE A 34 9.493 12.610 -5.637 1.00 34.52 H new ATOM 0 HG12 ILE A 34 10.268 12.505 -2.696 1.00 12.21 H new ATOM 0 HG13 ILE A 34 9.477 13.848 -3.497 1.00 12.21 H new ATOM 0 HG21 ILE A 34 9.363 10.322 -4.711 1.00 64.52 H new ATOM 0 HG22 ILE A 34 10.706 10.492 -5.866 1.00 64.52 H new ATOM 0 HG23 ILE A 34 11.034 10.473 -4.117 1.00 64.52 H new ATOM 0 HD11 ILE A 34 7.866 12.511 -2.231 1.00 5.41 H new ATOM 0 HD12 ILE A 34 7.515 12.425 -3.973 1.00 5.41 H new ATOM 0 HD13 ILE A 34 8.318 11.062 -3.160 1.00 5.41 H new ATOM 546 N SER A 35 13.382 12.051 -6.390 1.00 30.24 N ATOM 547 CA SER A 35 14.054 11.571 -7.607 1.00 11.44 C ATOM 548 C SER A 35 13.537 10.187 -8.024 1.00 12.41 C ATOM 549 O SER A 35 13.401 9.895 -9.211 1.00 25.04 O ATOM 550 CB SER A 35 15.573 11.511 -7.404 1.00 1.53 C ATOM 551 OG SER A 35 16.241 11.159 -8.608 1.00 51.30 O ATOM 0 H SER A 35 13.950 11.998 -5.545 1.00 30.24 H new ATOM 0 HA SER A 35 13.827 12.281 -8.402 1.00 11.44 H new ATOM 0 HB2 SER A 35 15.934 12.478 -7.055 1.00 1.53 H new ATOM 0 HB3 SER A 35 15.810 10.783 -6.628 1.00 1.53 H new ATOM 0 HG SER A 35 17.208 11.130 -8.449 1.00 51.30 H new ATOM 557 N ASP A 36 13.257 9.333 -7.039 1.00 60.35 N ATOM 558 CA ASP A 36 12.733 7.987 -7.300 1.00 34.13 C ATOM 559 C ASP A 36 11.345 7.795 -6.664 1.00 13.22 C ATOM 560 O ASP A 36 11.241 7.400 -5.502 1.00 21.42 O ATOM 561 CB ASP A 36 13.700 6.928 -6.758 1.00 34.30 C ATOM 562 CG ASP A 36 15.104 7.092 -7.308 1.00 40.30 C ATOM 563 OD1 ASP A 36 15.302 6.879 -8.521 1.00 32.32 O ATOM 564 OD2 ASP A 36 16.017 7.443 -6.531 1.00 41.03 O ATOM 0 H ASP A 36 13.384 9.548 -6.050 1.00 60.35 H new ATOM 0 HA ASP A 36 12.635 7.871 -8.379 1.00 34.13 H new ATOM 0 HB2 ASP A 36 13.729 6.989 -5.670 1.00 34.30 H new ATOM 0 HB3 ASP A 36 13.327 5.936 -7.011 1.00 34.30 H new ATOM 569 N PRO A 37 10.258 8.079 -7.408 1.00 75.31 N ATOM 570 CA PRO A 37 8.886 7.928 -6.891 1.00 21.42 C ATOM 571 C PRO A 37 8.545 6.469 -6.540 1.00 63.41 C ATOM 572 O PRO A 37 8.049 6.183 -5.449 1.00 13.53 O ATOM 573 CB PRO A 37 7.998 8.436 -8.040 1.00 21.34 C ATOM 574 CG PRO A 37 8.912 9.204 -8.941 1.00 22.34 C ATOM 575 CD PRO A 37 10.269 8.571 -8.797 1.00 72.25 C ATOM 0 HA PRO A 37 8.745 8.479 -5.961 1.00 21.42 H new ATOM 0 HB2 PRO A 37 7.530 7.607 -8.570 1.00 21.34 H new ATOM 0 HB3 PRO A 37 7.194 9.069 -7.664 1.00 21.34 H new ATOM 0 HG2 PRO A 37 8.569 9.159 -9.975 1.00 22.34 H new ATOM 0 HG3 PRO A 37 8.941 10.257 -8.661 1.00 22.34 H new ATOM 0 HD2 PRO A 37 10.414 7.761 -9.511 1.00 72.25 H new ATOM 0 HD3 PRO A 37 11.070 9.291 -8.964 1.00 72.25 H new ATOM 583 N GLU A 38 8.810 5.549 -7.474 1.00 41.12 N ATOM 584 CA GLU A 38 8.590 4.117 -7.233 1.00 52.22 C ATOM 585 C GLU A 38 9.395 3.626 -6.016 1.00 4.32 C ATOM 586 O GLU A 38 8.864 2.940 -5.141 1.00 12.14 O ATOM 587 CB GLU A 38 8.952 3.282 -8.478 1.00 54.32 C ATOM 588 CG GLU A 38 8.075 3.555 -9.708 1.00 11.42 C ATOM 589 CD GLU A 38 8.604 4.671 -10.607 1.00 53.10 C ATOM 590 OE1 GLU A 38 8.498 5.854 -10.230 1.00 11.15 O ATOM 591 OE2 GLU A 38 9.118 4.363 -11.705 1.00 1.52 O ATOM 0 H GLU A 38 9.176 5.768 -8.401 1.00 41.12 H new ATOM 0 HA GLU A 38 7.529 3.983 -7.022 1.00 52.22 H new ATOM 0 HB2 GLU A 38 9.992 3.476 -8.740 1.00 54.32 H new ATOM 0 HB3 GLU A 38 8.879 2.225 -8.224 1.00 54.32 H new ATOM 0 HG2 GLU A 38 7.991 2.639 -10.293 1.00 11.42 H new ATOM 0 HG3 GLU A 38 7.070 3.815 -9.376 1.00 11.42 H new ATOM 598 N GLY A 39 10.676 3.998 -5.961 1.00 35.44 N ATOM 599 CA GLY A 39 11.515 3.643 -4.817 1.00 5.04 C ATOM 600 C GLY A 39 11.013 4.247 -3.503 1.00 1.30 C ATOM 601 O GLY A 39 11.066 3.606 -2.450 1.00 43.33 O ATOM 0 H GLY A 39 11.149 4.538 -6.686 1.00 35.44 H new ATOM 0 HA2 GLY A 39 11.552 2.558 -4.722 1.00 5.04 H new ATOM 0 HA3 GLY A 39 12.535 3.982 -5.001 1.00 5.04 H new ATOM 605 N PHE A 40 10.526 5.484 -3.574 1.00 33.15 N ATOM 606 CA PHE A 40 9.939 6.169 -2.417 1.00 24.44 C ATOM 607 C PHE A 40 8.725 5.397 -1.874 1.00 22.41 C ATOM 608 O PHE A 40 8.602 5.172 -0.667 1.00 41.25 O ATOM 609 CB PHE A 40 9.529 7.597 -2.813 1.00 63.54 C ATOM 610 CG PHE A 40 8.843 8.375 -1.715 1.00 52.10 C ATOM 611 CD1 PHE A 40 9.576 8.931 -0.675 1.00 15.13 C ATOM 612 CD2 PHE A 40 7.464 8.552 -1.726 1.00 63.53 C ATOM 613 CE1 PHE A 40 8.950 9.644 0.329 1.00 35.52 C ATOM 614 CE2 PHE A 40 6.835 9.266 -0.722 1.00 0.23 C ATOM 615 CZ PHE A 40 7.578 9.812 0.307 1.00 4.02 C ATOM 0 H PHE A 40 10.525 6.040 -4.429 1.00 33.15 H new ATOM 0 HA PHE A 40 10.688 6.215 -1.626 1.00 24.44 H new ATOM 0 HB2 PHE A 40 10.418 8.143 -3.128 1.00 63.54 H new ATOM 0 HB3 PHE A 40 8.864 7.545 -3.675 1.00 63.54 H new ATOM 0 HD1 PHE A 40 10.648 8.805 -0.651 1.00 15.13 H new ATOM 0 HD2 PHE A 40 6.877 8.127 -2.527 1.00 63.53 H new ATOM 0 HE1 PHE A 40 9.533 10.071 1.132 1.00 35.52 H new ATOM 0 HE2 PHE A 40 5.763 9.397 -0.742 1.00 0.23 H new ATOM 0 HZ PHE A 40 7.088 10.369 1.092 1.00 4.02 H new ATOM 625 N LEU A 41 7.830 4.996 -2.777 1.00 44.13 N ATOM 626 CA LEU A 41 6.645 4.218 -2.401 1.00 14.34 C ATOM 627 C LEU A 41 7.034 2.889 -1.741 1.00 34.54 C ATOM 628 O LEU A 41 6.532 2.549 -0.670 1.00 40.04 O ATOM 629 CB LEU A 41 5.768 3.952 -3.633 1.00 45.22 C ATOM 630 CG LEU A 41 5.143 5.200 -4.274 1.00 73.03 C ATOM 631 CD1 LEU A 41 4.375 4.829 -5.540 1.00 3.32 C ATOM 632 CD2 LEU A 41 4.234 5.916 -3.279 1.00 10.23 C ATOM 0 H LEU A 41 7.901 5.196 -3.775 1.00 44.13 H new ATOM 0 HA LEU A 41 6.080 4.805 -1.677 1.00 14.34 H new ATOM 0 HB2 LEU A 41 6.370 3.441 -4.384 1.00 45.22 H new ATOM 0 HB3 LEU A 41 4.967 3.270 -3.348 1.00 45.22 H new ATOM 0 HG LEU A 41 5.947 5.881 -4.553 1.00 73.03 H new ATOM 0 HD11 LEU A 41 3.940 5.727 -5.978 1.00 3.32 H new ATOM 0 HD12 LEU A 41 5.055 4.368 -6.256 1.00 3.32 H new ATOM 0 HD13 LEU A 41 3.580 4.126 -5.291 1.00 3.32 H new ATOM 0 HD21 LEU A 41 3.800 6.798 -3.751 1.00 10.23 H new ATOM 0 HD22 LEU A 41 3.436 5.243 -2.966 1.00 10.23 H new ATOM 0 HD23 LEU A 41 4.815 6.220 -2.408 1.00 10.23 H new ATOM 644 N GLN A 42 7.941 2.150 -2.380 1.00 14.15 N ATOM 645 CA GLN A 42 8.411 0.863 -1.849 1.00 74.30 C ATOM 646 C GLN A 42 8.926 1.006 -0.406 1.00 31.45 C ATOM 647 O GLN A 42 8.530 0.251 0.481 1.00 14.44 O ATOM 648 CB GLN A 42 9.506 0.291 -2.771 1.00 3.24 C ATOM 649 CG GLN A 42 9.999 -1.111 -2.397 1.00 12.21 C ATOM 650 CD GLN A 42 11.050 -1.119 -1.294 1.00 74.14 C ATOM 651 OE1 GLN A 42 11.832 -0.183 -1.156 1.00 41.05 O ATOM 652 NE2 GLN A 42 11.078 -2.169 -0.498 1.00 4.05 N ATOM 0 H GLN A 42 8.367 2.418 -3.267 1.00 14.15 H new ATOM 0 HA GLN A 42 7.570 0.170 -1.824 1.00 74.30 H new ATOM 0 HB2 GLN A 42 9.124 0.265 -3.792 1.00 3.24 H new ATOM 0 HB3 GLN A 42 10.357 0.972 -2.766 1.00 3.24 H new ATOM 0 HG2 GLN A 42 9.148 -1.713 -2.079 1.00 12.21 H new ATOM 0 HG3 GLN A 42 10.413 -1.589 -3.285 1.00 12.21 H new ATOM 0 HE21 GLN A 42 10.415 -2.932 -0.637 1.00 4.05 H new ATOM 0 HE22 GLN A 42 11.762 -2.219 0.257 1.00 4.05 H new ATOM 661 N ALA A 43 9.791 1.992 -0.175 1.00 45.41 N ATOM 662 CA ALA A 43 10.370 2.228 1.157 1.00 35.15 C ATOM 663 C ALA A 43 9.310 2.666 2.188 1.00 15.54 C ATOM 664 O ALA A 43 9.438 2.388 3.383 1.00 62.14 O ATOM 665 CB ALA A 43 11.483 3.269 1.064 1.00 3.54 C ATOM 0 H ALA A 43 10.110 2.644 -0.891 1.00 45.41 H new ATOM 0 HA ALA A 43 10.783 1.282 1.507 1.00 35.15 H new ATOM 0 HB1 ALA A 43 11.907 3.438 2.054 1.00 3.54 H new ATOM 0 HB2 ALA A 43 12.263 2.909 0.392 1.00 3.54 H new ATOM 0 HB3 ALA A 43 11.076 4.204 0.679 1.00 3.54 H new ATOM 671 N SER A 44 8.268 3.356 1.720 1.00 44.35 N ATOM 672 CA SER A 44 7.190 3.844 2.602 1.00 61.34 C ATOM 673 C SER A 44 6.162 2.745 2.919 1.00 34.34 C ATOM 674 O SER A 44 5.588 2.712 4.009 1.00 35.25 O ATOM 675 CB SER A 44 6.470 5.041 1.960 1.00 3.41 C ATOM 676 OG SER A 44 7.363 6.120 1.724 1.00 32.53 O ATOM 0 H SER A 44 8.142 3.593 0.736 1.00 44.35 H new ATOM 0 HA SER A 44 7.659 4.152 3.536 1.00 61.34 H new ATOM 0 HB2 SER A 44 6.015 4.731 1.019 1.00 3.41 H new ATOM 0 HB3 SER A 44 5.661 5.372 2.611 1.00 3.41 H new ATOM 0 HG SER A 44 7.871 5.951 0.903 1.00 32.53 H new ATOM 682 N LEU A 45 5.933 1.850 1.958 1.00 73.55 N ATOM 683 CA LEU A 45 4.938 0.773 2.104 1.00 3.23 C ATOM 684 C LEU A 45 5.572 -0.527 2.626 1.00 12.44 C ATOM 685 O LEU A 45 4.867 -1.475 2.971 1.00 13.24 O ATOM 686 CB LEU A 45 4.256 0.507 0.752 1.00 75.23 C ATOM 687 CG LEU A 45 3.596 1.728 0.092 1.00 71.03 C ATOM 688 CD1 LEU A 45 3.017 1.353 -1.268 1.00 61.21 C ATOM 689 CD2 LEU A 45 2.520 2.321 0.999 1.00 0.52 C ATOM 0 H LEU A 45 6.423 1.845 1.063 1.00 73.55 H new ATOM 0 HA LEU A 45 4.200 1.102 2.836 1.00 3.23 H new ATOM 0 HB2 LEU A 45 4.998 0.101 0.064 1.00 75.23 H new ATOM 0 HB3 LEU A 45 3.497 -0.263 0.893 1.00 75.23 H new ATOM 0 HG LEU A 45 4.361 2.489 -0.062 1.00 71.03 H new ATOM 0 HD11 LEU A 45 2.554 2.230 -1.721 1.00 61.21 H new ATOM 0 HD12 LEU A 45 3.815 0.989 -1.915 1.00 61.21 H new ATOM 0 HD13 LEU A 45 2.268 0.571 -1.142 1.00 61.21 H new ATOM 0 HD21 LEU A 45 2.067 3.184 0.510 1.00 0.52 H new ATOM 0 HD22 LEU A 45 1.754 1.571 1.193 1.00 0.52 H new ATOM 0 HD23 LEU A 45 2.970 2.633 1.942 1.00 0.52 H new ATOM 701 N LYS A 46 6.903 -0.552 2.691 1.00 51.20 N ATOM 702 CA LYS A 46 7.670 -1.748 3.082 1.00 0.41 C ATOM 703 C LYS A 46 7.186 -2.366 4.414 1.00 54.52 C ATOM 704 O LYS A 46 7.120 -3.588 4.554 1.00 21.11 O ATOM 705 CB LYS A 46 9.159 -1.378 3.183 1.00 5.13 C ATOM 706 CG LYS A 46 10.092 -2.559 3.431 1.00 14.25 C ATOM 707 CD LYS A 46 11.554 -2.112 3.456 1.00 75.40 C ATOM 708 CE LYS A 46 12.515 -3.274 3.680 1.00 43.14 C ATOM 709 NZ LYS A 46 13.932 -2.819 3.700 1.00 43.53 N ATOM 0 H LYS A 46 7.487 0.256 2.475 1.00 51.20 H new ATOM 0 HA LYS A 46 7.513 -2.505 2.314 1.00 0.41 H new ATOM 0 HB2 LYS A 46 9.460 -0.882 2.260 1.00 5.13 H new ATOM 0 HB3 LYS A 46 9.286 -0.656 3.989 1.00 5.13 H new ATOM 0 HG2 LYS A 46 9.838 -3.034 4.379 1.00 14.25 H new ATOM 0 HG3 LYS A 46 9.951 -3.307 2.651 1.00 14.25 H new ATOM 0 HD2 LYS A 46 11.797 -1.620 2.514 1.00 75.40 H new ATOM 0 HD3 LYS A 46 11.691 -1.373 4.246 1.00 75.40 H new ATOM 0 HE2 LYS A 46 12.277 -3.766 4.623 1.00 43.14 H new ATOM 0 HE3 LYS A 46 12.381 -4.014 2.891 1.00 43.14 H new ATOM 0 HZ1 LYS A 46 14.557 -3.636 3.854 1.00 43.53 H new ATOM 0 HZ2 LYS A 46 14.166 -2.371 2.791 1.00 43.53 H new ATOM 0 HZ3 LYS A 46 14.065 -2.131 4.469 1.00 43.53 H new ATOM 723 N ASP A 47 6.856 -1.519 5.388 1.00 44.42 N ATOM 724 CA ASP A 47 6.401 -1.988 6.707 1.00 42.14 C ATOM 725 C ASP A 47 4.898 -2.344 6.728 1.00 70.22 C ATOM 726 O ASP A 47 4.386 -2.847 7.731 1.00 54.42 O ATOM 727 CB ASP A 47 6.720 -0.935 7.774 1.00 30.23 C ATOM 728 CG ASP A 47 6.287 0.458 7.361 1.00 34.42 C ATOM 729 OD1 ASP A 47 7.052 1.127 6.636 1.00 43.33 O ATOM 730 OD2 ASP A 47 5.188 0.893 7.763 1.00 65.42 O ATOM 0 H ASP A 47 6.893 -0.504 5.294 1.00 44.42 H new ATOM 0 HA ASP A 47 6.942 -2.908 6.928 1.00 42.14 H new ATOM 0 HB2 ASP A 47 6.224 -1.205 8.706 1.00 30.23 H new ATOM 0 HB3 ASP A 47 7.792 -0.935 7.972 1.00 30.23 H new ATOM 735 N GLY A 48 4.197 -2.069 5.628 1.00 45.13 N ATOM 736 CA GLY A 48 2.792 -2.464 5.496 1.00 42.13 C ATOM 737 C GLY A 48 1.792 -1.526 6.179 1.00 34.02 C ATOM 738 O GLY A 48 0.653 -1.402 5.726 1.00 2.34 O ATOM 0 H GLY A 48 4.575 -1.577 4.819 1.00 45.13 H new ATOM 0 HA2 GLY A 48 2.545 -2.525 4.436 1.00 42.13 H new ATOM 0 HA3 GLY A 48 2.671 -3.465 5.910 1.00 42.13 H new ATOM 742 N VAL A 49 2.209 -0.861 7.259 1.00 23.23 N ATOM 743 CA VAL A 49 1.303 -0.010 8.053 1.00 55.31 C ATOM 744 C VAL A 49 0.547 1.012 7.183 1.00 51.34 C ATOM 745 O VAL A 49 -0.663 1.196 7.332 1.00 1.53 O ATOM 746 CB VAL A 49 2.067 0.742 9.173 1.00 10.54 C ATOM 747 CG1 VAL A 49 1.104 1.548 10.048 1.00 74.33 C ATOM 748 CG2 VAL A 49 2.881 -0.237 10.019 1.00 64.52 C ATOM 0 H VAL A 49 3.167 -0.892 7.608 1.00 23.23 H new ATOM 0 HA VAL A 49 0.575 -0.685 8.503 1.00 55.31 H new ATOM 0 HB VAL A 49 2.757 1.443 8.702 1.00 10.54 H new ATOM 0 HG11 VAL A 49 1.666 2.066 10.826 1.00 74.33 H new ATOM 0 HG12 VAL A 49 0.578 2.278 9.433 1.00 74.33 H new ATOM 0 HG13 VAL A 49 0.382 0.875 10.509 1.00 74.33 H new ATOM 0 HG21 VAL A 49 3.410 0.309 10.800 1.00 64.52 H new ATOM 0 HG22 VAL A 49 2.212 -0.966 10.476 1.00 64.52 H new ATOM 0 HG23 VAL A 49 3.602 -0.753 9.385 1.00 64.52 H new ATOM 758 N VAL A 50 1.261 1.666 6.268 1.00 61.00 N ATOM 759 CA VAL A 50 0.642 2.641 5.358 1.00 71.31 C ATOM 760 C VAL A 50 -0.442 1.986 4.481 1.00 44.02 C ATOM 761 O VAL A 50 -1.474 2.596 4.191 1.00 23.03 O ATOM 762 CB VAL A 50 1.699 3.327 4.455 1.00 11.51 C ATOM 763 CG1 VAL A 50 1.052 4.371 3.543 1.00 62.44 C ATOM 764 CG2 VAL A 50 2.797 3.961 5.305 1.00 24.20 C ATOM 0 H VAL A 50 2.265 1.542 6.134 1.00 61.00 H new ATOM 0 HA VAL A 50 0.173 3.400 5.984 1.00 71.31 H new ATOM 0 HB VAL A 50 2.149 2.563 3.821 1.00 11.51 H new ATOM 0 HG11 VAL A 50 1.817 4.836 2.921 1.00 62.44 H new ATOM 0 HG12 VAL A 50 0.311 3.888 2.906 1.00 62.44 H new ATOM 0 HG13 VAL A 50 0.566 5.134 4.151 1.00 62.44 H new ATOM 0 HG21 VAL A 50 3.531 4.438 4.655 1.00 24.20 H new ATOM 0 HG22 VAL A 50 2.359 4.708 5.967 1.00 24.20 H new ATOM 0 HG23 VAL A 50 3.287 3.191 5.901 1.00 24.20 H new ATOM 774 N LEU A 51 -0.210 0.734 4.077 1.00 33.12 N ATOM 775 CA LEU A 51 -1.192 -0.022 3.284 1.00 54.45 C ATOM 776 C LEU A 51 -2.460 -0.305 4.102 1.00 72.03 C ATOM 777 O LEU A 51 -3.579 -0.175 3.601 1.00 60.24 O ATOM 778 CB LEU A 51 -0.587 -1.345 2.792 1.00 35.12 C ATOM 779 CG LEU A 51 0.556 -1.211 1.773 1.00 33.20 C ATOM 780 CD1 LEU A 51 1.131 -2.582 1.424 1.00 62.42 C ATOM 781 CD2 LEU A 51 0.072 -0.490 0.515 1.00 13.11 C ATOM 0 H LEU A 51 0.647 0.220 4.284 1.00 33.12 H new ATOM 0 HA LEU A 51 -1.462 0.588 2.422 1.00 54.45 H new ATOM 0 HB2 LEU A 51 -0.218 -1.899 3.655 1.00 35.12 H new ATOM 0 HB3 LEU A 51 -1.381 -1.943 2.345 1.00 35.12 H new ATOM 0 HG LEU A 51 1.350 -0.615 2.224 1.00 33.20 H new ATOM 0 HD11 LEU A 51 1.939 -2.465 0.701 1.00 62.42 H new ATOM 0 HD12 LEU A 51 1.518 -3.055 2.327 1.00 62.42 H new ATOM 0 HD13 LEU A 51 0.348 -3.206 0.994 1.00 62.42 H new ATOM 0 HD21 LEU A 51 0.895 -0.405 -0.195 1.00 13.11 H new ATOM 0 HD22 LEU A 51 -0.741 -1.056 0.061 1.00 13.11 H new ATOM 0 HD23 LEU A 51 -0.283 0.506 0.780 1.00 13.11 H new ATOM 793 N CYS A 52 -2.277 -0.692 5.364 1.00 20.41 N ATOM 794 CA CYS A 52 -3.405 -0.916 6.276 1.00 2.43 C ATOM 795 C CYS A 52 -4.247 0.361 6.421 1.00 35.53 C ATOM 796 O CYS A 52 -5.477 0.316 6.380 1.00 73.25 O ATOM 797 CB CYS A 52 -2.895 -1.373 7.648 1.00 64.20 C ATOM 798 SG CYS A 52 -1.836 -2.840 7.593 1.00 51.41 S ATOM 0 H CYS A 52 -1.361 -0.858 5.780 1.00 20.41 H new ATOM 0 HA CYS A 52 -4.037 -1.699 5.856 1.00 2.43 H new ATOM 0 HB2 CYS A 52 -2.341 -0.555 8.108 1.00 64.20 H new ATOM 0 HB3 CYS A 52 -3.750 -1.580 8.291 1.00 64.20 H new ATOM 0 HG CYS A 52 -2.066 -3.501 6.497 1.00 51.41 H new ATOM 804 N ARG A 53 -3.568 1.502 6.580 1.00 1.32 N ATOM 805 CA ARG A 53 -4.239 2.808 6.592 1.00 74.24 C ATOM 806 C ARG A 53 -5.016 3.029 5.283 1.00 13.25 C ATOM 807 O ARG A 53 -6.178 3.438 5.290 1.00 44.14 O ATOM 808 CB ARG A 53 -3.213 3.940 6.754 1.00 32.30 C ATOM 809 CG ARG A 53 -2.416 3.910 8.052 1.00 41.01 C ATOM 810 CD ARG A 53 -1.372 5.028 8.075 1.00 43.03 C ATOM 811 NE ARG A 53 -0.619 5.065 9.325 1.00 73.31 N ATOM 812 CZ ARG A 53 0.519 5.698 9.480 1.00 2.30 C ATOM 813 NH1 ARG A 53 1.058 6.346 8.493 1.00 33.14 N ATOM 814 NH2 ARG A 53 1.107 5.691 10.631 1.00 40.34 N ATOM 0 H ARG A 53 -2.556 1.549 6.702 1.00 1.32 H new ATOM 0 HA ARG A 53 -4.931 2.818 7.434 1.00 74.24 H new ATOM 0 HB2 ARG A 53 -2.516 3.900 5.917 1.00 32.30 H new ATOM 0 HB3 ARG A 53 -3.735 4.895 6.689 1.00 32.30 H new ATOM 0 HG2 ARG A 53 -3.091 4.019 8.901 1.00 41.01 H new ATOM 0 HG3 ARG A 53 -1.923 2.944 8.159 1.00 41.01 H new ATOM 0 HD2 ARG A 53 -0.681 4.893 7.243 1.00 43.03 H new ATOM 0 HD3 ARG A 53 -1.868 5.987 7.925 1.00 43.03 H new ATOM 0 HE ARG A 53 -1.002 4.567 10.129 1.00 73.31 H new ATOM 0 HH11 ARG A 53 0.596 6.367 7.584 1.00 33.14 H new ATOM 0 HH12 ARG A 53 1.943 6.834 8.627 1.00 33.14 H new ATOM 0 HH21 ARG A 53 0.686 5.194 11.416 1.00 40.34 H new ATOM 0 HH22 ARG A 53 1.992 6.182 10.754 1.00 40.34 H new ATOM 828 N LEU A 54 -4.343 2.754 4.164 1.00 62.31 N ATOM 829 CA LEU A 54 -4.911 2.927 2.820 1.00 72.21 C ATOM 830 C LEU A 54 -6.246 2.183 2.664 1.00 65.34 C ATOM 831 O LEU A 54 -7.254 2.768 2.257 1.00 4.13 O ATOM 832 CB LEU A 54 -3.895 2.433 1.775 1.00 44.21 C ATOM 833 CG LEU A 54 -4.310 2.590 0.304 1.00 12.10 C ATOM 834 CD1 LEU A 54 -4.579 4.054 -0.028 1.00 21.14 C ATOM 835 CD2 LEU A 54 -3.236 2.014 -0.618 1.00 44.54 C ATOM 0 H LEU A 54 -3.385 2.404 4.161 1.00 62.31 H new ATOM 0 HA LEU A 54 -5.115 3.987 2.666 1.00 72.21 H new ATOM 0 HB2 LEU A 54 -2.958 2.969 1.927 1.00 44.21 H new ATOM 0 HB3 LEU A 54 -3.693 1.379 1.964 1.00 44.21 H new ATOM 0 HG LEU A 54 -5.233 2.033 0.146 1.00 12.10 H new ATOM 0 HD11 LEU A 54 -4.871 4.142 -1.074 1.00 21.14 H new ATOM 0 HD12 LEU A 54 -5.382 4.429 0.606 1.00 21.14 H new ATOM 0 HD13 LEU A 54 -3.676 4.639 0.147 1.00 21.14 H new ATOM 0 HD21 LEU A 54 -3.546 2.133 -1.656 1.00 44.54 H new ATOM 0 HD22 LEU A 54 -2.296 2.542 -0.457 1.00 44.54 H new ATOM 0 HD23 LEU A 54 -3.099 0.955 -0.400 1.00 44.54 H new ATOM 847 N LEU A 55 -6.251 0.897 3.008 1.00 44.04 N ATOM 848 CA LEU A 55 -7.457 0.076 2.890 1.00 11.12 C ATOM 849 C LEU A 55 -8.556 0.546 3.860 1.00 45.20 C ATOM 850 O LEU A 55 -9.733 0.492 3.533 1.00 31.13 O ATOM 851 CB LEU A 55 -7.131 -1.405 3.128 1.00 2.44 C ATOM 852 CG LEU A 55 -8.270 -2.390 2.804 1.00 31.54 C ATOM 853 CD1 LEU A 55 -8.725 -2.235 1.354 1.00 51.12 C ATOM 854 CD2 LEU A 55 -7.836 -3.828 3.077 1.00 41.23 C ATOM 0 H LEU A 55 -5.437 0.401 3.370 1.00 44.04 H new ATOM 0 HA LEU A 55 -7.835 0.192 1.874 1.00 11.12 H new ATOM 0 HB2 LEU A 55 -6.262 -1.670 2.526 1.00 2.44 H new ATOM 0 HB3 LEU A 55 -6.847 -1.534 4.172 1.00 2.44 H new ATOM 0 HG LEU A 55 -9.113 -2.157 3.454 1.00 31.54 H new ATOM 0 HD11 LEU A 55 -9.530 -2.941 1.148 1.00 51.12 H new ATOM 0 HD12 LEU A 55 -9.083 -1.218 1.192 1.00 51.12 H new ATOM 0 HD13 LEU A 55 -7.887 -2.435 0.686 1.00 51.12 H new ATOM 0 HD21 LEU A 55 -8.656 -4.506 2.841 1.00 41.23 H new ATOM 0 HD22 LEU A 55 -6.974 -4.072 2.457 1.00 41.23 H new ATOM 0 HD23 LEU A 55 -7.568 -3.934 4.128 1.00 41.23 H new ATOM 866 N GLU A 56 -8.166 1.012 5.047 1.00 42.03 N ATOM 867 CA GLU A 56 -9.133 1.546 6.021 1.00 51.15 C ATOM 868 C GLU A 56 -9.762 2.871 5.553 1.00 3.44 C ATOM 869 O GLU A 56 -10.884 3.204 5.938 1.00 52.22 O ATOM 870 CB GLU A 56 -8.466 1.742 7.391 1.00 2.10 C ATOM 871 CG GLU A 56 -8.232 0.444 8.157 1.00 31.50 C ATOM 872 CD GLU A 56 -9.531 -0.269 8.513 1.00 73.03 C ATOM 873 OE1 GLU A 56 -10.326 0.286 9.302 1.00 12.41 O ATOM 874 OE2 GLU A 56 -9.766 -1.388 8.006 1.00 62.23 O ATOM 0 H GLU A 56 -7.196 1.033 5.361 1.00 42.03 H new ATOM 0 HA GLU A 56 -9.934 0.812 6.107 1.00 51.15 H new ATOM 0 HB2 GLU A 56 -7.510 2.246 7.250 1.00 2.10 H new ATOM 0 HB3 GLU A 56 -9.088 2.402 7.996 1.00 2.10 H new ATOM 0 HG2 GLU A 56 -7.610 -0.220 7.557 1.00 31.50 H new ATOM 0 HG3 GLU A 56 -7.678 0.660 9.071 1.00 31.50 H new ATOM 881 N ARG A 57 -9.034 3.634 4.740 1.00 1.04 N ATOM 882 CA ARG A 57 -9.552 4.904 4.209 1.00 61.00 C ATOM 883 C ARG A 57 -10.536 4.677 3.051 1.00 34.21 C ATOM 884 O ARG A 57 -11.509 5.418 2.896 1.00 34.40 O ATOM 885 CB ARG A 57 -8.392 5.804 3.753 1.00 14.02 C ATOM 886 CG ARG A 57 -7.520 6.312 4.898 1.00 64.32 C ATOM 887 CD ARG A 57 -8.288 7.253 5.823 1.00 43.25 C ATOM 888 NE ARG A 57 -8.686 8.488 5.145 1.00 53.33 N ATOM 889 CZ ARG A 57 -9.587 9.320 5.602 1.00 32.14 C ATOM 890 NH1 ARG A 57 -10.265 9.044 6.670 1.00 0.14 N ATOM 891 NH2 ARG A 57 -9.834 10.415 4.960 1.00 41.22 N ATOM 0 H ARG A 57 -8.089 3.402 4.433 1.00 1.04 H new ATOM 0 HA ARG A 57 -10.096 5.401 5.013 1.00 61.00 H new ATOM 0 HB2 ARG A 57 -7.768 5.250 3.052 1.00 14.02 H new ATOM 0 HB3 ARG A 57 -8.798 6.658 3.211 1.00 14.02 H new ATOM 0 HG2 ARG A 57 -7.145 5.465 5.472 1.00 64.32 H new ATOM 0 HG3 ARG A 57 -6.652 6.831 4.491 1.00 64.32 H new ATOM 0 HD2 ARG A 57 -9.175 6.745 6.201 1.00 43.25 H new ATOM 0 HD3 ARG A 57 -7.669 7.497 6.686 1.00 43.25 H new ATOM 0 HE ARG A 57 -8.232 8.714 4.260 1.00 53.33 H new ATOM 0 HH11 ARG A 57 -10.100 8.169 7.167 1.00 0.14 H new ATOM 0 HH12 ARG A 57 -10.964 9.702 7.015 1.00 0.14 H new ATOM 0 HH21 ARG A 57 -9.327 10.628 4.101 1.00 41.22 H new ATOM 0 HH22 ARG A 57 -10.535 11.066 5.313 1.00 41.22 H new ATOM 905 N LEU A 58 -10.273 3.659 2.237 1.00 51.13 N ATOM 906 CA LEU A 58 -11.145 3.326 1.102 1.00 63.52 C ATOM 907 C LEU A 58 -12.282 2.379 1.528 1.00 32.23 C ATOM 908 O LEU A 58 -13.449 2.610 1.217 1.00 63.32 O ATOM 909 CB LEU A 58 -10.308 2.694 -0.018 1.00 53.52 C ATOM 910 CG LEU A 58 -9.146 3.563 -0.530 1.00 61.42 C ATOM 911 CD1 LEU A 58 -8.325 2.810 -1.570 1.00 54.01 C ATOM 912 CD2 LEU A 58 -9.663 4.883 -1.104 1.00 51.03 C ATOM 0 H LEU A 58 -9.464 3.047 2.338 1.00 51.13 H new ATOM 0 HA LEU A 58 -11.604 4.244 0.736 1.00 63.52 H new ATOM 0 HB2 LEU A 58 -9.904 1.748 0.341 1.00 53.52 H new ATOM 0 HB3 LEU A 58 -10.965 2.462 -0.856 1.00 53.52 H new ATOM 0 HG LEU A 58 -8.499 3.792 0.317 1.00 61.42 H new ATOM 0 HD11 LEU A 58 -7.509 3.444 -1.918 1.00 54.01 H new ATOM 0 HD12 LEU A 58 -7.916 1.904 -1.124 1.00 54.01 H new ATOM 0 HD13 LEU A 58 -8.962 2.543 -2.413 1.00 54.01 H new ATOM 0 HD21 LEU A 58 -8.823 5.479 -1.459 1.00 51.03 H new ATOM 0 HD22 LEU A 58 -10.339 4.679 -1.934 1.00 51.03 H new ATOM 0 HD23 LEU A 58 -10.196 5.433 -0.328 1.00 51.03 H new ATOM 924 N LEU A 59 -11.922 1.309 2.233 1.00 44.40 N ATOM 925 CA LEU A 59 -12.897 0.354 2.778 1.00 74.13 C ATOM 926 C LEU A 59 -12.769 0.265 4.314 1.00 34.14 C ATOM 927 O LEU A 59 -12.070 -0.606 4.839 1.00 2.43 O ATOM 928 CB LEU A 59 -12.686 -1.035 2.153 1.00 53.14 C ATOM 929 CG LEU A 59 -12.813 -1.102 0.621 1.00 42.41 C ATOM 930 CD1 LEU A 59 -12.483 -2.503 0.114 1.00 42.33 C ATOM 931 CD2 LEU A 59 -14.211 -0.678 0.175 1.00 12.32 C ATOM 0 H LEU A 59 -10.952 1.076 2.445 1.00 44.40 H new ATOM 0 HA LEU A 59 -13.898 0.707 2.531 1.00 74.13 H new ATOM 0 HB2 LEU A 59 -11.695 -1.393 2.433 1.00 53.14 H new ATOM 0 HB3 LEU A 59 -13.409 -1.724 2.590 1.00 53.14 H new ATOM 0 HG LEU A 59 -12.094 -0.406 0.188 1.00 42.41 H new ATOM 0 HD11 LEU A 59 -12.579 -2.529 -0.971 1.00 42.33 H new ATOM 0 HD12 LEU A 59 -11.462 -2.760 0.394 1.00 42.33 H new ATOM 0 HD13 LEU A 59 -13.173 -3.222 0.556 1.00 42.33 H new ATOM 0 HD21 LEU A 59 -14.279 -0.733 -0.912 1.00 12.32 H new ATOM 0 HD22 LEU A 59 -14.952 -1.343 0.619 1.00 12.32 H new ATOM 0 HD23 LEU A 59 -14.402 0.345 0.499 1.00 12.32 H new ATOM 943 N PRO A 60 -13.427 1.182 5.053 1.00 32.43 N ATOM 944 CA PRO A 60 -13.313 1.261 6.527 1.00 31.34 C ATOM 945 C PRO A 60 -13.785 -0.011 7.257 1.00 44.32 C ATOM 946 O PRO A 60 -14.918 -0.467 7.072 1.00 4.14 O ATOM 947 CB PRO A 60 -14.214 2.459 6.894 1.00 71.15 C ATOM 948 CG PRO A 60 -14.352 3.239 5.630 1.00 43.54 C ATOM 949 CD PRO A 60 -14.324 2.224 4.521 1.00 41.42 C ATOM 0 HA PRO A 60 -12.273 1.371 6.832 1.00 31.34 H new ATOM 0 HB2 PRO A 60 -15.185 2.125 7.260 1.00 71.15 H new ATOM 0 HB3 PRO A 60 -13.766 3.063 7.683 1.00 71.15 H new ATOM 0 HG2 PRO A 60 -15.283 3.805 5.619 1.00 43.54 H new ATOM 0 HG3 PRO A 60 -13.540 3.958 5.523 1.00 43.54 H new ATOM 0 HD2 PRO A 60 -15.318 1.831 4.307 1.00 41.42 H new ATOM 0 HD3 PRO A 60 -13.943 2.650 3.593 1.00 41.42 H new ATOM 957 N GLY A 61 -12.914 -0.578 8.095 1.00 42.54 N ATOM 958 CA GLY A 61 -13.280 -1.754 8.882 1.00 0.22 C ATOM 959 C GLY A 61 -13.003 -3.076 8.171 1.00 42.35 C ATOM 960 O GLY A 61 -13.760 -4.038 8.322 1.00 61.43 O ATOM 0 H GLY A 61 -11.961 -0.245 8.244 1.00 42.54 H new ATOM 0 HA2 GLY A 61 -12.731 -1.736 9.824 1.00 0.22 H new ATOM 0 HA3 GLY A 61 -14.340 -1.699 9.130 1.00 0.22 H new ATOM 964 N THR A 62 -11.916 -3.132 7.403 1.00 5.21 N ATOM 965 CA THR A 62 -11.549 -4.349 6.660 1.00 30.41 C ATOM 966 C THR A 62 -10.313 -5.041 7.268 1.00 52.15 C ATOM 967 O THR A 62 -10.255 -6.270 7.351 1.00 72.41 O ATOM 968 CB THR A 62 -11.277 -4.039 5.166 1.00 42.15 C ATOM 969 OG1 THR A 62 -12.422 -3.399 4.578 1.00 63.54 O ATOM 970 CG2 THR A 62 -10.955 -5.309 4.386 1.00 63.12 C ATOM 0 H THR A 62 -11.271 -2.352 7.275 1.00 5.21 H new ATOM 0 HA THR A 62 -12.401 -5.025 6.736 1.00 30.41 H new ATOM 0 HB THR A 62 -10.415 -3.373 5.117 1.00 42.15 H new ATOM 0 HG1 THR A 62 -12.321 -2.426 4.641 1.00 63.54 H new ATOM 0 HG21 THR A 62 -10.769 -5.057 3.342 1.00 63.12 H new ATOM 0 HG22 THR A 62 -10.068 -5.781 4.809 1.00 63.12 H new ATOM 0 HG23 THR A 62 -11.797 -5.998 4.449 1.00 63.12 H new ATOM 978 N ILE A 63 -9.326 -4.248 7.691 1.00 64.13 N ATOM 979 CA ILE A 63 -8.099 -4.784 8.303 1.00 51.30 C ATOM 980 C ILE A 63 -8.380 -5.415 9.678 1.00 20.41 C ATOM 981 O ILE A 63 -8.941 -4.768 10.565 1.00 13.22 O ATOM 982 CB ILE A 63 -7.028 -3.673 8.470 1.00 1.43 C ATOM 983 CG1 ILE A 63 -6.668 -3.054 7.108 1.00 31.23 C ATOM 984 CG2 ILE A 63 -5.778 -4.224 9.161 1.00 34.12 C ATOM 985 CD1 ILE A 63 -6.022 -4.025 6.143 1.00 41.13 C ATOM 0 H ILE A 63 -9.349 -3.231 7.623 1.00 64.13 H new ATOM 0 HA ILE A 63 -7.724 -5.555 7.629 1.00 51.30 H new ATOM 0 HB ILE A 63 -7.448 -2.889 9.100 1.00 1.43 H new ATOM 0 HG12 ILE A 63 -7.573 -2.652 6.652 1.00 31.23 H new ATOM 0 HG13 ILE A 63 -5.992 -2.214 7.269 1.00 31.23 H new ATOM 0 HG21 ILE A 63 -5.041 -3.428 9.268 1.00 34.12 H new ATOM 0 HG22 ILE A 63 -6.045 -4.606 10.146 1.00 34.12 H new ATOM 0 HG23 ILE A 63 -5.357 -5.031 8.562 1.00 34.12 H new ATOM 0 HD11 ILE A 63 -5.799 -3.513 5.207 1.00 41.13 H new ATOM 0 HD12 ILE A 63 -5.098 -4.408 6.576 1.00 41.13 H new ATOM 0 HD13 ILE A 63 -6.703 -4.854 5.950 1.00 41.13 H new ATOM 997 N GLU A 64 -7.979 -6.673 9.858 1.00 54.21 N ATOM 998 CA GLU A 64 -8.192 -7.378 11.128 1.00 64.43 C ATOM 999 C GLU A 64 -7.047 -7.104 12.118 1.00 11.41 C ATOM 1000 O GLU A 64 -7.277 -6.703 13.264 1.00 23.21 O ATOM 1001 CB GLU A 64 -8.321 -8.889 10.877 1.00 54.21 C ATOM 1002 CG GLU A 64 -8.592 -9.709 12.134 1.00 62.33 C ATOM 1003 CD GLU A 64 -8.638 -11.204 11.856 1.00 71.10 C ATOM 1004 OE1 GLU A 64 -9.678 -11.692 11.365 1.00 34.51 O ATOM 1005 OE2 GLU A 64 -7.630 -11.897 12.119 1.00 23.22 O ATOM 0 H GLU A 64 -7.506 -7.227 9.144 1.00 54.21 H new ATOM 0 HA GLU A 64 -9.116 -7.005 11.570 1.00 64.43 H new ATOM 0 HB2 GLU A 64 -9.127 -9.060 10.164 1.00 54.21 H new ATOM 0 HB3 GLU A 64 -7.403 -9.249 10.413 1.00 54.21 H new ATOM 0 HG2 GLU A 64 -7.817 -9.504 12.872 1.00 62.33 H new ATOM 0 HG3 GLU A 64 -9.540 -9.395 12.572 1.00 62.33 H new ATOM 1012 N LYS A 65 -5.815 -7.313 11.663 1.00 61.22 N ATOM 1013 CA LYS A 65 -4.624 -7.120 12.503 1.00 71.23 C ATOM 1014 C LYS A 65 -3.592 -6.202 11.824 1.00 13.23 C ATOM 1015 O LYS A 65 -3.303 -6.349 10.640 1.00 62.31 O ATOM 1016 CB LYS A 65 -3.983 -8.482 12.810 1.00 71.11 C ATOM 1017 CG LYS A 65 -2.637 -8.406 13.537 1.00 53.22 C ATOM 1018 CD LYS A 65 -2.747 -7.791 14.936 1.00 22.32 C ATOM 1019 CE LYS A 65 -3.386 -8.738 15.953 1.00 63.04 C ATOM 1020 NZ LYS A 65 -4.838 -8.964 15.705 1.00 52.15 N ATOM 0 H LYS A 65 -5.609 -7.618 10.712 1.00 61.22 H new ATOM 0 HA LYS A 65 -4.940 -6.640 13.429 1.00 71.23 H new ATOM 0 HB2 LYS A 65 -4.676 -9.066 13.416 1.00 71.11 H new ATOM 0 HB3 LYS A 65 -3.845 -9.023 11.874 1.00 71.11 H new ATOM 0 HG2 LYS A 65 -2.217 -9.409 13.619 1.00 53.22 H new ATOM 0 HG3 LYS A 65 -1.941 -7.816 12.941 1.00 53.22 H new ATOM 0 HD2 LYS A 65 -1.753 -7.510 15.283 1.00 22.32 H new ATOM 0 HD3 LYS A 65 -3.336 -6.875 14.880 1.00 22.32 H new ATOM 0 HE2 LYS A 65 -2.865 -9.695 15.927 1.00 63.04 H new ATOM 0 HE3 LYS A 65 -3.253 -8.330 16.955 1.00 63.04 H new ATOM 0 HZ1 LYS A 65 -5.344 -8.999 16.613 1.00 52.15 H new ATOM 0 HZ2 LYS A 65 -5.217 -8.186 15.128 1.00 52.15 H new ATOM 0 HZ3 LYS A 65 -4.968 -9.864 15.201 1.00 52.15 H new ATOM 1034 N VAL A 66 -3.042 -5.259 12.587 1.00 12.21 N ATOM 1035 CA VAL A 66 -1.958 -4.403 12.095 1.00 13.42 C ATOM 1036 C VAL A 66 -0.949 -4.097 13.210 1.00 73.43 C ATOM 1037 O VAL A 66 -1.318 -3.929 14.373 1.00 50.03 O ATOM 1038 CB VAL A 66 -2.490 -3.064 11.508 1.00 64.23 C ATOM 1039 CG1 VAL A 66 -3.097 -2.178 12.599 1.00 24.34 C ATOM 1040 CG2 VAL A 66 -1.378 -2.324 10.764 1.00 31.05 C ATOM 0 H VAL A 66 -3.327 -5.067 13.547 1.00 12.21 H new ATOM 0 HA VAL A 66 -1.464 -4.958 11.297 1.00 13.42 H new ATOM 0 HB VAL A 66 -3.282 -3.302 10.798 1.00 64.23 H new ATOM 0 HG11 VAL A 66 -3.459 -1.251 12.155 1.00 24.34 H new ATOM 0 HG12 VAL A 66 -3.927 -2.702 13.073 1.00 24.34 H new ATOM 0 HG13 VAL A 66 -2.338 -1.950 13.347 1.00 24.34 H new ATOM 0 HG21 VAL A 66 -1.769 -1.390 10.361 1.00 31.05 H new ATOM 0 HG22 VAL A 66 -0.561 -2.108 11.452 1.00 31.05 H new ATOM 0 HG23 VAL A 66 -1.010 -2.946 9.948 1.00 31.05 H new ATOM 1050 N TYR A 67 0.326 -4.040 12.849 1.00 71.23 N ATOM 1051 CA TYR A 67 1.385 -3.681 13.792 1.00 51.23 C ATOM 1052 C TYR A 67 1.982 -2.315 13.433 1.00 52.52 C ATOM 1053 O TYR A 67 2.803 -2.210 12.519 1.00 61.44 O ATOM 1054 CB TYR A 67 2.479 -4.758 13.802 1.00 2.21 C ATOM 1055 CG TYR A 67 1.987 -6.108 14.293 1.00 50.12 C ATOM 1056 CD1 TYR A 67 1.893 -6.377 15.653 1.00 3.01 C ATOM 1057 CD2 TYR A 67 1.606 -7.105 13.400 1.00 21.21 C ATOM 1058 CE1 TYR A 67 1.438 -7.597 16.109 1.00 61.12 C ATOM 1059 CE2 TYR A 67 1.146 -8.328 13.850 1.00 45.45 C ATOM 1060 CZ TYR A 67 1.065 -8.568 15.206 1.00 2.23 C ATOM 1061 OH TYR A 67 0.600 -9.782 15.663 1.00 14.43 O ATOM 0 H TYR A 67 0.657 -4.239 11.905 1.00 71.23 H new ATOM 0 HA TYR A 67 0.952 -3.617 14.790 1.00 51.23 H new ATOM 0 HB2 TYR A 67 2.879 -4.869 12.794 1.00 2.21 H new ATOM 0 HB3 TYR A 67 3.301 -4.426 14.436 1.00 2.21 H new ATOM 0 HD1 TYR A 67 2.181 -5.618 16.365 1.00 3.01 H new ATOM 0 HD2 TYR A 67 1.671 -6.920 12.338 1.00 21.21 H new ATOM 0 HE1 TYR A 67 1.375 -7.790 17.170 1.00 61.12 H new ATOM 0 HE2 TYR A 67 0.852 -9.091 13.145 1.00 45.45 H new ATOM 0 HH TYR A 67 0.378 -10.356 14.900 1.00 14.43 H new ATOM 1071 N PRO A 68 1.569 -1.244 14.147 1.00 24.24 N ATOM 1072 CA PRO A 68 2.019 0.132 13.857 1.00 53.21 C ATOM 1073 C PRO A 68 3.543 0.296 13.980 1.00 61.42 C ATOM 1074 O PRO A 68 4.134 1.216 13.409 1.00 71.51 O ATOM 1075 CB PRO A 68 1.289 0.980 14.913 1.00 64.33 C ATOM 1076 CG PRO A 68 0.912 0.017 15.992 1.00 4.52 C ATOM 1077 CD PRO A 68 0.642 -1.288 15.297 1.00 52.33 C ATOM 0 HA PRO A 68 1.793 0.424 12.831 1.00 53.21 H new ATOM 0 HB2 PRO A 68 1.933 1.771 15.298 1.00 64.33 H new ATOM 0 HB3 PRO A 68 0.408 1.463 14.490 1.00 64.33 H new ATOM 0 HG2 PRO A 68 1.715 -0.087 16.722 1.00 4.52 H new ATOM 0 HG3 PRO A 68 0.031 0.361 16.534 1.00 4.52 H new ATOM 0 HD2 PRO A 68 0.842 -2.141 15.946 1.00 52.33 H new ATOM 0 HD3 PRO A 68 -0.397 -1.368 14.976 1.00 52.33 H new ATOM 1085 N GLU A 69 4.168 -0.607 14.734 1.00 44.44 N ATOM 1086 CA GLU A 69 5.624 -0.624 14.896 1.00 2.11 C ATOM 1087 C GLU A 69 6.178 -2.059 14.748 1.00 33.23 C ATOM 1088 O GLU A 69 6.366 -2.776 15.734 1.00 33.45 O ATOM 1089 CB GLU A 69 6.016 -0.017 16.255 1.00 14.44 C ATOM 1090 CG GLU A 69 5.287 -0.631 17.447 1.00 31.04 C ATOM 1091 CD GLU A 69 5.622 0.059 18.759 1.00 11.23 C ATOM 1092 OE1 GLU A 69 6.652 -0.286 19.376 1.00 12.51 O ATOM 1093 OE2 GLU A 69 4.862 0.956 19.176 1.00 71.15 O ATOM 0 H GLU A 69 3.685 -1.344 15.248 1.00 44.44 H new ATOM 0 HA GLU A 69 6.067 -0.015 14.108 1.00 2.11 H new ATOM 0 HB2 GLU A 69 7.090 -0.138 16.398 1.00 14.44 H new ATOM 0 HB3 GLU A 69 5.816 1.054 16.233 1.00 14.44 H new ATOM 0 HG2 GLU A 69 4.212 -0.577 17.277 1.00 31.04 H new ATOM 0 HG3 GLU A 69 5.545 -1.687 17.521 1.00 31.04 H new ATOM 1100 N PRO A 70 6.426 -2.505 13.502 1.00 3.05 N ATOM 1101 CA PRO A 70 6.939 -3.862 13.231 1.00 22.43 C ATOM 1102 C PRO A 70 8.393 -4.056 13.706 1.00 54.41 C ATOM 1103 O PRO A 70 9.282 -3.274 13.365 1.00 25.25 O ATOM 1104 CB PRO A 70 6.843 -3.979 11.702 1.00 42.24 C ATOM 1105 CG PRO A 70 6.898 -2.572 11.207 1.00 24.43 C ATOM 1106 CD PRO A 70 6.226 -1.729 12.261 1.00 32.50 C ATOM 0 HA PRO A 70 6.373 -4.624 13.766 1.00 22.43 H new ATOM 0 HB2 PRO A 70 7.663 -4.572 11.299 1.00 42.24 H new ATOM 0 HB3 PRO A 70 5.917 -4.468 11.400 1.00 42.24 H new ATOM 0 HG2 PRO A 70 7.929 -2.254 11.053 1.00 24.43 H new ATOM 0 HG3 PRO A 70 6.388 -2.476 10.248 1.00 24.43 H new ATOM 0 HD2 PRO A 70 6.676 -0.739 12.330 1.00 32.50 H new ATOM 0 HD3 PRO A 70 5.168 -1.584 12.044 1.00 32.50 H new ATOM 1114 N ARG A 71 8.623 -5.105 14.497 1.00 25.43 N ATOM 1115 CA ARG A 71 9.961 -5.407 15.024 1.00 10.32 C ATOM 1116 C ARG A 71 10.634 -6.546 14.243 1.00 3.20 C ATOM 1117 O ARG A 71 11.797 -6.873 14.487 1.00 53.51 O ATOM 1118 CB ARG A 71 9.876 -5.764 16.521 1.00 52.11 C ATOM 1119 CG ARG A 71 10.530 -4.736 17.441 1.00 11.32 C ATOM 1120 CD ARG A 71 9.919 -3.349 17.275 1.00 13.13 C ATOM 1121 NE ARG A 71 10.607 -2.349 18.088 1.00 61.22 N ATOM 1122 CZ ARG A 71 10.441 -1.060 17.966 1.00 65.50 C ATOM 1123 NH1 ARG A 71 9.613 -0.572 17.098 1.00 42.34 N ATOM 1124 NH2 ARG A 71 11.104 -0.252 18.727 1.00 12.44 N ATOM 0 H ARG A 71 7.900 -5.763 14.789 1.00 25.43 H new ATOM 0 HA ARG A 71 10.575 -4.514 14.903 1.00 10.32 H new ATOM 0 HB2 ARG A 71 8.828 -5.871 16.800 1.00 52.11 H new ATOM 0 HB3 ARG A 71 10.349 -6.733 16.681 1.00 52.11 H new ATOM 0 HG2 ARG A 71 10.423 -5.057 18.477 1.00 11.32 H new ATOM 0 HG3 ARG A 71 11.598 -4.689 17.230 1.00 11.32 H new ATOM 0 HD2 ARG A 71 9.963 -3.056 16.226 1.00 13.13 H new ATOM 0 HD3 ARG A 71 8.866 -3.381 17.553 1.00 13.13 H new ATOM 0 HE ARG A 71 11.260 -2.680 18.798 1.00 61.22 H new ATOM 0 HH11 ARG A 71 9.078 -1.198 16.496 1.00 42.34 H new ATOM 0 HH12 ARG A 71 9.496 0.438 17.017 1.00 42.34 H new ATOM 0 HH21 ARG A 71 11.754 -0.622 19.420 1.00 12.44 H new ATOM 0 HH22 ARG A 71 10.977 0.756 18.634 1.00 12.44 H new ATOM 1138 N SER A 72 9.893 -7.157 13.322 1.00 13.42 N ATOM 1139 CA SER A 72 10.440 -8.224 12.477 1.00 64.32 C ATOM 1140 C SER A 72 9.575 -8.487 11.239 1.00 43.22 C ATOM 1141 O SER A 72 8.436 -8.016 11.140 1.00 53.14 O ATOM 1142 CB SER A 72 10.597 -9.522 13.281 1.00 25.23 C ATOM 1143 OG SER A 72 9.359 -9.961 13.822 1.00 13.21 O ATOM 0 H SER A 72 8.914 -6.935 13.139 1.00 13.42 H new ATOM 0 HA SER A 72 11.418 -7.885 12.135 1.00 64.32 H new ATOM 0 HB2 SER A 72 11.009 -10.300 12.638 1.00 25.23 H new ATOM 0 HB3 SER A 72 11.311 -9.365 14.089 1.00 25.23 H new ATOM 0 HG SER A 72 8.952 -10.616 13.217 1.00 13.21 H new ATOM 1149 N GLU A 73 10.131 -9.261 10.305 1.00 4.43 N ATOM 1150 CA GLU A 73 9.467 -9.595 9.037 1.00 21.14 C ATOM 1151 C GLU A 73 8.043 -10.146 9.243 1.00 32.23 C ATOM 1152 O GLU A 73 7.136 -9.846 8.462 1.00 5.32 O ATOM 1153 CB GLU A 73 10.327 -10.613 8.267 1.00 51.12 C ATOM 1154 CG GLU A 73 9.696 -11.132 6.978 1.00 5.23 C ATOM 1155 CD GLU A 73 10.625 -12.044 6.189 1.00 3.44 C ATOM 1156 OE1 GLU A 73 10.956 -13.141 6.689 1.00 35.51 O ATOM 1157 OE2 GLU A 73 11.037 -11.664 5.072 1.00 24.35 O ATOM 0 H GLU A 73 11.057 -9.677 10.404 1.00 4.43 H new ATOM 0 HA GLU A 73 9.367 -8.675 8.461 1.00 21.14 H new ATOM 0 HB2 GLU A 73 11.285 -10.152 8.027 1.00 51.12 H new ATOM 0 HB3 GLU A 73 10.536 -11.460 8.920 1.00 51.12 H new ATOM 0 HG2 GLU A 73 8.782 -11.674 7.220 1.00 5.23 H new ATOM 0 HG3 GLU A 73 9.409 -10.286 6.354 1.00 5.23 H new ATOM 1164 N SER A 74 7.846 -10.934 10.302 1.00 64.24 N ATOM 1165 CA SER A 74 6.535 -11.546 10.580 1.00 64.32 C ATOM 1166 C SER A 74 5.434 -10.494 10.783 1.00 73.22 C ATOM 1167 O SER A 74 4.273 -10.730 10.435 1.00 72.22 O ATOM 1168 CB SER A 74 6.612 -12.484 11.796 1.00 14.34 C ATOM 1169 OG SER A 74 7.176 -11.842 12.931 1.00 5.42 O ATOM 0 H SER A 74 8.571 -11.166 10.981 1.00 64.24 H new ATOM 0 HA SER A 74 6.268 -12.133 9.701 1.00 64.32 H new ATOM 0 HB2 SER A 74 5.612 -12.841 12.042 1.00 14.34 H new ATOM 0 HB3 SER A 74 7.209 -13.359 11.541 1.00 14.34 H new ATOM 0 HG SER A 74 6.616 -11.080 13.188 1.00 5.42 H new ATOM 1175 N GLU A 75 5.787 -9.332 11.343 1.00 35.52 N ATOM 1176 CA GLU A 75 4.823 -8.228 11.476 1.00 4.41 C ATOM 1177 C GLU A 75 4.578 -7.541 10.123 1.00 15.44 C ATOM 1178 O GLU A 75 3.434 -7.344 9.711 1.00 14.20 O ATOM 1179 CB GLU A 75 5.286 -7.171 12.498 1.00 4.42 C ATOM 1180 CG GLU A 75 5.252 -7.619 13.959 1.00 62.43 C ATOM 1181 CD GLU A 75 6.470 -8.422 14.368 1.00 11.33 C ATOM 1182 OE1 GLU A 75 7.510 -7.808 14.685 1.00 40.55 O ATOM 1183 OE2 GLU A 75 6.393 -9.663 14.397 1.00 0.32 O ATOM 0 H GLU A 75 6.718 -9.130 11.707 1.00 35.52 H new ATOM 0 HA GLU A 75 3.895 -8.674 11.835 1.00 4.41 H new ATOM 0 HB2 GLU A 75 6.304 -6.871 12.250 1.00 4.42 H new ATOM 0 HB3 GLU A 75 4.658 -6.286 12.391 1.00 4.42 H new ATOM 0 HG2 GLU A 75 5.173 -6.741 14.599 1.00 62.43 H new ATOM 0 HG3 GLU A 75 4.357 -8.218 14.127 1.00 62.43 H new ATOM 1190 N CYS A 76 5.665 -7.180 9.437 1.00 2.43 N ATOM 1191 CA CYS A 76 5.585 -6.480 8.143 1.00 61.21 C ATOM 1192 C CYS A 76 4.699 -7.233 7.139 1.00 61.43 C ATOM 1193 O CYS A 76 3.770 -6.664 6.563 1.00 13.22 O ATOM 1194 CB CYS A 76 6.990 -6.303 7.553 1.00 54.22 C ATOM 1195 SG CYS A 76 8.146 -5.426 8.635 1.00 61.51 S ATOM 0 H CYS A 76 6.618 -7.360 9.754 1.00 2.43 H new ATOM 0 HA CYS A 76 5.134 -5.505 8.326 1.00 61.21 H new ATOM 0 HB2 CYS A 76 7.401 -7.286 7.322 1.00 54.22 H new ATOM 0 HB3 CYS A 76 6.910 -5.761 6.611 1.00 54.22 H new ATOM 0 HG CYS A 76 9.333 -5.440 8.104 1.00 61.51 H new ATOM 1201 N LEU A 77 4.990 -8.520 6.943 1.00 73.10 N ATOM 1202 CA LEU A 77 4.223 -9.353 6.008 1.00 72.04 C ATOM 1203 C LEU A 77 2.738 -9.416 6.397 1.00 20.55 C ATOM 1204 O LEU A 77 1.859 -9.421 5.534 1.00 63.31 O ATOM 1205 CB LEU A 77 4.812 -10.771 5.948 1.00 32.14 C ATOM 1206 CG LEU A 77 6.272 -10.856 5.468 1.00 2.24 C ATOM 1207 CD1 LEU A 77 6.754 -12.304 5.457 1.00 62.22 C ATOM 1208 CD2 LEU A 77 6.431 -10.225 4.085 1.00 54.23 C ATOM 0 H LEU A 77 5.749 -9.010 7.417 1.00 73.10 H new ATOM 0 HA LEU A 77 4.294 -8.894 5.022 1.00 72.04 H new ATOM 0 HB2 LEU A 77 4.747 -11.216 6.941 1.00 32.14 H new ATOM 0 HB3 LEU A 77 4.193 -11.376 5.286 1.00 32.14 H new ATOM 0 HG LEU A 77 6.890 -10.294 6.169 1.00 2.24 H new ATOM 0 HD11 LEU A 77 7.788 -12.341 5.115 1.00 62.22 H new ATOM 0 HD12 LEU A 77 6.690 -12.716 6.464 1.00 62.22 H new ATOM 0 HD13 LEU A 77 6.128 -12.891 4.785 1.00 62.22 H new ATOM 0 HD21 LEU A 77 7.472 -10.298 3.769 1.00 54.23 H new ATOM 0 HD22 LEU A 77 5.797 -10.750 3.370 1.00 54.23 H new ATOM 0 HD23 LEU A 77 6.138 -9.176 4.128 1.00 54.23 H new ATOM 1220 N SER A 78 2.464 -9.456 7.702 1.00 22.43 N ATOM 1221 CA SER A 78 1.082 -9.483 8.203 1.00 0.22 C ATOM 1222 C SER A 78 0.307 -8.241 7.753 1.00 53.24 C ATOM 1223 O SER A 78 -0.753 -8.351 7.137 1.00 22.21 O ATOM 1224 CB SER A 78 1.063 -9.571 9.737 1.00 22.11 C ATOM 1225 OG SER A 78 -0.267 -9.650 10.240 1.00 5.51 O ATOM 0 H SER A 78 3.176 -9.470 8.432 1.00 22.43 H new ATOM 0 HA SER A 78 0.599 -10.367 7.787 1.00 0.22 H new ATOM 0 HB2 SER A 78 1.627 -10.446 10.059 1.00 22.11 H new ATOM 0 HB3 SER A 78 1.561 -8.698 10.159 1.00 22.11 H new ATOM 0 HG SER A 78 -0.244 -9.706 11.218 1.00 5.51 H new ATOM 1231 N ASN A 79 0.857 -7.064 8.055 1.00 31.54 N ATOM 1232 CA ASN A 79 0.223 -5.786 7.698 1.00 62.53 C ATOM 1233 C ASN A 79 -0.114 -5.722 6.196 1.00 1.44 C ATOM 1234 O ASN A 79 -1.178 -5.236 5.801 1.00 74.04 O ATOM 1235 CB ASN A 79 1.145 -4.616 8.064 1.00 13.50 C ATOM 1236 CG ASN A 79 1.605 -4.658 9.511 1.00 42.23 C ATOM 1237 OD1 ASN A 79 0.929 -5.196 10.379 1.00 34.42 O ATOM 1238 ND2 ASN A 79 2.758 -4.083 9.788 1.00 34.00 N ATOM 0 H ASN A 79 1.744 -6.965 8.548 1.00 31.54 H new ATOM 0 HA ASN A 79 -0.707 -5.712 8.262 1.00 62.53 H new ATOM 0 HB2 ASN A 79 2.017 -4.628 7.410 1.00 13.50 H new ATOM 0 HB3 ASN A 79 0.623 -3.677 7.881 1.00 13.50 H new ATOM 0 HD21 ASN A 79 3.109 -4.079 10.746 1.00 34.00 H new ATOM 0 HD22 ASN A 79 3.300 -3.642 9.045 1.00 34.00 H new ATOM 1245 N ILE A 80 0.802 -6.219 5.367 1.00 33.04 N ATOM 1246 CA ILE A 80 0.614 -6.230 3.914 1.00 24.54 C ATOM 1247 C ILE A 80 -0.464 -7.243 3.484 1.00 30.24 C ATOM 1248 O ILE A 80 -1.348 -6.923 2.687 1.00 61.52 O ATOM 1249 CB ILE A 80 1.940 -6.556 3.180 1.00 45.53 C ATOM 1250 CG1 ILE A 80 3.046 -5.570 3.600 1.00 72.53 C ATOM 1251 CG2 ILE A 80 1.735 -6.526 1.662 1.00 43.24 C ATOM 1252 CD1 ILE A 80 4.398 -5.854 2.972 1.00 64.23 C ATOM 0 H ILE A 80 1.686 -6.622 5.677 1.00 33.04 H new ATOM 0 HA ILE A 80 0.284 -5.229 3.636 1.00 24.54 H new ATOM 0 HB ILE A 80 2.253 -7.561 3.463 1.00 45.53 H new ATOM 0 HG12 ILE A 80 2.738 -4.559 3.333 1.00 72.53 H new ATOM 0 HG13 ILE A 80 3.148 -5.596 4.685 1.00 72.53 H new ATOM 0 HG21 ILE A 80 2.676 -6.757 1.163 1.00 43.24 H new ATOM 0 HG22 ILE A 80 0.985 -7.265 1.382 1.00 43.24 H new ATOM 0 HG23 ILE A 80 1.398 -5.534 1.360 1.00 43.24 H new ATOM 0 HD11 ILE A 80 5.122 -5.116 3.318 1.00 64.23 H new ATOM 0 HD12 ILE A 80 4.731 -6.851 3.260 1.00 64.23 H new ATOM 0 HD13 ILE A 80 4.314 -5.799 1.887 1.00 64.23 H new ATOM 1264 N ARG A 81 -0.398 -8.465 4.020 1.00 51.33 N ATOM 1265 CA ARG A 81 -1.334 -9.532 3.629 1.00 2.24 C ATOM 1266 C ARG A 81 -2.785 -9.210 4.030 1.00 73.11 C ATOM 1267 O ARG A 81 -3.724 -9.600 3.333 1.00 55.54 O ATOM 1268 CB ARG A 81 -0.901 -10.885 4.210 1.00 32.00 C ATOM 1269 CG ARG A 81 0.419 -11.400 3.636 1.00 42.23 C ATOM 1270 CD ARG A 81 0.745 -12.807 4.125 1.00 43.22 C ATOM 1271 NE ARG A 81 -0.256 -13.782 3.697 1.00 63.24 N ATOM 1272 CZ ARG A 81 -0.150 -15.068 3.885 1.00 2.23 C ATOM 1273 NH1 ARG A 81 0.892 -15.570 4.465 1.00 11.52 N ATOM 1274 NH2 ARG A 81 -1.092 -15.851 3.483 1.00 35.34 N ATOM 0 H ARG A 81 0.288 -8.743 4.722 1.00 51.33 H new ATOM 0 HA ARG A 81 -1.304 -9.595 2.541 1.00 2.24 H new ATOM 0 HB2 ARG A 81 -0.807 -10.793 5.292 1.00 32.00 H new ATOM 0 HB3 ARG A 81 -1.683 -11.620 4.019 1.00 32.00 H new ATOM 0 HG2 ARG A 81 0.366 -11.398 2.547 1.00 42.23 H new ATOM 0 HG3 ARG A 81 1.225 -10.723 3.917 1.00 42.23 H new ATOM 0 HD2 ARG A 81 1.724 -13.104 3.749 1.00 43.22 H new ATOM 0 HD3 ARG A 81 0.809 -12.807 5.213 1.00 43.22 H new ATOM 0 HE ARG A 81 -1.089 -13.435 3.222 1.00 63.24 H new ATOM 0 HH11 ARG A 81 1.644 -14.958 4.782 1.00 11.52 H new ATOM 0 HH12 ARG A 81 0.962 -16.578 4.606 1.00 11.52 H new ATOM 0 HH21 ARG A 81 -1.915 -15.464 3.021 1.00 35.34 H new ATOM 0 HH22 ARG A 81 -1.015 -16.858 3.627 1.00 35.34 H new ATOM 1288 N GLU A 82 -2.969 -8.505 5.147 1.00 53.13 N ATOM 1289 CA GLU A 82 -4.299 -8.016 5.537 1.00 5.52 C ATOM 1290 C GLU A 82 -4.886 -7.123 4.432 1.00 52.54 C ATOM 1291 O GLU A 82 -6.051 -7.263 4.040 1.00 55.51 O ATOM 1292 CB GLU A 82 -4.210 -7.231 6.854 1.00 52.41 C ATOM 1293 CG GLU A 82 -3.823 -8.081 8.061 1.00 33.22 C ATOM 1294 CD GLU A 82 -4.887 -9.100 8.434 1.00 35.53 C ATOM 1295 OE1 GLU A 82 -6.055 -8.695 8.640 1.00 1.40 O ATOM 1296 OE2 GLU A 82 -4.570 -10.308 8.514 1.00 64.12 O ATOM 0 H GLU A 82 -2.222 -8.259 5.796 1.00 53.13 H new ATOM 0 HA GLU A 82 -4.956 -8.874 5.680 1.00 5.52 H new ATOM 0 HB2 GLU A 82 -3.480 -6.430 6.738 1.00 52.41 H new ATOM 0 HB3 GLU A 82 -5.173 -6.759 7.049 1.00 52.41 H new ATOM 0 HG2 GLU A 82 -2.889 -8.600 7.848 1.00 33.22 H new ATOM 0 HG3 GLU A 82 -3.638 -7.428 8.914 1.00 33.22 H new ATOM 1303 N PHE A 83 -4.056 -6.207 3.935 1.00 32.11 N ATOM 1304 CA PHE A 83 -4.408 -5.347 2.803 1.00 31.42 C ATOM 1305 C PHE A 83 -4.766 -6.191 1.566 1.00 75.40 C ATOM 1306 O PHE A 83 -5.800 -5.979 0.924 1.00 32.43 O ATOM 1307 CB PHE A 83 -3.227 -4.407 2.500 1.00 42.13 C ATOM 1308 CG PHE A 83 -3.380 -3.575 1.249 1.00 41.05 C ATOM 1309 CD1 PHE A 83 -4.110 -2.396 1.267 1.00 42.11 C ATOM 1310 CD2 PHE A 83 -2.786 -3.971 0.057 1.00 74.13 C ATOM 1311 CE1 PHE A 83 -4.244 -1.630 0.125 1.00 41.33 C ATOM 1312 CE2 PHE A 83 -2.917 -3.209 -1.086 1.00 34.32 C ATOM 1313 CZ PHE A 83 -3.647 -2.037 -1.052 1.00 30.35 C ATOM 0 H PHE A 83 -3.120 -6.039 4.305 1.00 32.11 H new ATOM 0 HA PHE A 83 -5.285 -4.753 3.060 1.00 31.42 H new ATOM 0 HB2 PHE A 83 -3.087 -3.738 3.349 1.00 42.13 H new ATOM 0 HB3 PHE A 83 -2.319 -5.004 2.413 1.00 42.13 H new ATOM 0 HD1 PHE A 83 -4.579 -2.073 2.184 1.00 42.11 H new ATOM 0 HD2 PHE A 83 -2.214 -4.887 0.025 1.00 74.13 H new ATOM 0 HE1 PHE A 83 -4.815 -0.714 0.153 1.00 41.33 H new ATOM 0 HE2 PHE A 83 -2.449 -3.529 -2.006 1.00 34.32 H new ATOM 0 HZ PHE A 83 -3.751 -1.439 -1.945 1.00 30.35 H new ATOM 1323 N LEU A 84 -3.909 -7.162 1.257 1.00 73.43 N ATOM 1324 CA LEU A 84 -4.114 -8.056 0.112 1.00 35.31 C ATOM 1325 C LEU A 84 -5.417 -8.867 0.243 1.00 44.11 C ATOM 1326 O LEU A 84 -6.091 -9.147 -0.753 1.00 13.14 O ATOM 1327 CB LEU A 84 -2.917 -9.006 -0.021 1.00 42.25 C ATOM 1328 CG LEU A 84 -1.557 -8.315 -0.219 1.00 42.32 C ATOM 1329 CD1 LEU A 84 -0.417 -9.328 -0.185 1.00 3.44 C ATOM 1330 CD2 LEU A 84 -1.542 -7.525 -1.525 1.00 24.22 C ATOM 0 H LEU A 84 -3.058 -7.353 1.787 1.00 73.43 H new ATOM 0 HA LEU A 84 -4.199 -7.440 -0.783 1.00 35.31 H new ATOM 0 HB2 LEU A 84 -2.865 -9.628 0.873 1.00 42.25 H new ATOM 0 HB3 LEU A 84 -3.094 -9.674 -0.864 1.00 42.25 H new ATOM 0 HG LEU A 84 -1.408 -7.618 0.606 1.00 42.32 H new ATOM 0 HD11 LEU A 84 0.533 -8.812 -0.327 1.00 3.44 H new ATOM 0 HD12 LEU A 84 -0.412 -9.838 0.778 1.00 3.44 H new ATOM 0 HD13 LEU A 84 -0.556 -10.059 -0.982 1.00 3.44 H new ATOM 0 HD21 LEU A 84 -0.572 -7.043 -1.648 1.00 24.22 H new ATOM 0 HD22 LEU A 84 -1.720 -8.201 -2.361 1.00 24.22 H new ATOM 0 HD23 LEU A 84 -2.324 -6.766 -1.500 1.00 24.22 H new ATOM 1342 N ARG A 85 -5.762 -9.245 1.472 1.00 54.22 N ATOM 1343 CA ARG A 85 -6.987 -10.011 1.733 1.00 12.22 C ATOM 1344 C ARG A 85 -8.237 -9.192 1.377 1.00 15.42 C ATOM 1345 O ARG A 85 -9.068 -9.622 0.573 1.00 33.12 O ATOM 1346 CB ARG A 85 -7.046 -10.441 3.208 1.00 4.52 C ATOM 1347 CG ARG A 85 -8.177 -11.425 3.515 1.00 51.14 C ATOM 1348 CD ARG A 85 -8.167 -11.856 4.976 1.00 35.12 C ATOM 1349 NE ARG A 85 -6.879 -12.433 5.365 1.00 32.50 N ATOM 1350 CZ ARG A 85 -6.226 -12.101 6.444 1.00 21.15 C ATOM 1351 NH1 ARG A 85 -6.722 -11.253 7.281 1.00 2.52 N ATOM 1352 NH2 ARG A 85 -5.073 -12.631 6.690 1.00 3.12 N ATOM 0 H ARG A 85 -5.213 -9.035 2.306 1.00 54.22 H new ATOM 0 HA ARG A 85 -6.967 -10.900 1.103 1.00 12.22 H new ATOM 0 HB2 ARG A 85 -6.095 -10.897 3.483 1.00 4.52 H new ATOM 0 HB3 ARG A 85 -7.167 -9.555 3.831 1.00 4.52 H new ATOM 0 HG2 ARG A 85 -9.136 -10.963 3.278 1.00 51.14 H new ATOM 0 HG3 ARG A 85 -8.079 -12.303 2.876 1.00 51.14 H new ATOM 0 HD2 ARG A 85 -8.386 -10.997 5.610 1.00 35.12 H new ATOM 0 HD3 ARG A 85 -8.958 -12.587 5.145 1.00 35.12 H new ATOM 0 HE ARG A 85 -6.467 -13.138 4.754 1.00 32.50 H new ATOM 0 HH11 ARG A 85 -7.635 -10.834 7.102 1.00 2.52 H new ATOM 0 HH12 ARG A 85 -6.201 -11.002 8.121 1.00 2.52 H new ATOM 0 HH21 ARG A 85 -4.674 -13.309 6.040 1.00 3.12 H new ATOM 0 HH22 ARG A 85 -4.562 -12.372 7.534 1.00 3.12 H new ATOM 1366 N GLY A 86 -8.346 -7.999 1.963 1.00 1.23 N ATOM 1367 CA GLY A 86 -9.510 -7.143 1.736 1.00 20.43 C ATOM 1368 C GLY A 86 -9.708 -6.750 0.274 1.00 33.24 C ATOM 1369 O GLY A 86 -10.824 -6.817 -0.251 1.00 50.15 O ATOM 0 H GLY A 86 -7.648 -7.606 2.594 1.00 1.23 H new ATOM 0 HA2 GLY A 86 -10.403 -7.659 2.088 1.00 20.43 H new ATOM 0 HA3 GLY A 86 -9.407 -6.238 2.335 1.00 20.43 H new ATOM 1373 N CYS A 87 -8.628 -6.342 -0.389 1.00 75.24 N ATOM 1374 CA CYS A 87 -8.688 -5.951 -1.804 1.00 2.14 C ATOM 1375 C CYS A 87 -9.147 -7.116 -2.702 1.00 72.32 C ATOM 1376 O CYS A 87 -9.954 -6.929 -3.617 1.00 43.01 O ATOM 1377 CB CYS A 87 -7.322 -5.436 -2.272 1.00 61.24 C ATOM 1378 SG CYS A 87 -6.747 -3.962 -1.395 1.00 70.12 S ATOM 0 H CYS A 87 -7.699 -6.272 0.027 1.00 75.24 H new ATOM 0 HA CYS A 87 -9.425 -5.153 -1.891 1.00 2.14 H new ATOM 0 HB2 CYS A 87 -6.585 -6.230 -2.148 1.00 61.24 H new ATOM 0 HB3 CYS A 87 -7.375 -5.214 -3.338 1.00 61.24 H new ATOM 0 HG CYS A 87 -6.242 -4.309 -0.248 1.00 70.12 H new ATOM 1384 N GLY A 88 -8.636 -8.317 -2.434 1.00 55.22 N ATOM 1385 CA GLY A 88 -9.018 -9.491 -3.215 1.00 2.11 C ATOM 1386 C GLY A 88 -10.436 -9.987 -2.922 1.00 71.20 C ATOM 1387 O GLY A 88 -11.129 -10.481 -3.816 1.00 43.30 O ATOM 0 H GLY A 88 -7.963 -8.501 -1.690 1.00 55.22 H new ATOM 0 HA2 GLY A 88 -8.937 -9.253 -4.276 1.00 2.11 H new ATOM 0 HA3 GLY A 88 -8.312 -10.296 -3.014 1.00 2.11 H new ATOM 1391 N ALA A 89 -10.872 -9.853 -1.671 1.00 21.34 N ATOM 1392 CA ALA A 89 -12.204 -10.309 -1.257 1.00 21.34 C ATOM 1393 C ALA A 89 -13.313 -9.326 -1.674 1.00 21.43 C ATOM 1394 O ALA A 89 -14.301 -9.714 -2.301 1.00 33.13 O ATOM 1395 CB ALA A 89 -12.230 -10.525 0.255 1.00 11.41 C ATOM 0 H ALA A 89 -10.323 -9.431 -0.922 1.00 21.34 H new ATOM 0 HA ALA A 89 -12.403 -11.252 -1.767 1.00 21.34 H new ATOM 0 HB1 ALA A 89 -13.221 -10.863 0.557 1.00 11.41 H new ATOM 0 HB2 ALA A 89 -11.491 -11.278 0.528 1.00 11.41 H new ATOM 0 HB3 ALA A 89 -11.997 -9.588 0.760 1.00 11.41 H new ATOM 1401 N SER A 90 -13.141 -8.053 -1.331 1.00 2.01 N ATOM 1402 CA SER A 90 -14.166 -7.025 -1.588 1.00 11.35 C ATOM 1403 C SER A 90 -14.114 -6.496 -3.028 1.00 51.52 C ATOM 1404 O SER A 90 -15.080 -6.624 -3.784 1.00 35.40 O ATOM 1405 CB SER A 90 -14.005 -5.856 -0.608 1.00 11.24 C ATOM 1406 OG SER A 90 -14.930 -4.816 -0.885 1.00 64.01 O ATOM 0 H SER A 90 -12.301 -7.699 -0.872 1.00 2.01 H new ATOM 0 HA SER A 90 -15.136 -7.501 -1.443 1.00 11.35 H new ATOM 0 HB2 SER A 90 -14.150 -6.212 0.412 1.00 11.24 H new ATOM 0 HB3 SER A 90 -12.989 -5.466 -0.668 1.00 11.24 H new ATOM 0 HG SER A 90 -15.034 -4.251 -0.091 1.00 64.01 H new ATOM 1412 N LEU A 91 -12.984 -5.903 -3.404 1.00 31.15 N ATOM 1413 CA LEU A 91 -12.834 -5.277 -4.727 1.00 13.24 C ATOM 1414 C LEU A 91 -12.500 -6.291 -5.833 1.00 54.13 C ATOM 1415 O LEU A 91 -12.536 -5.956 -7.019 1.00 23.15 O ATOM 1416 CB LEU A 91 -11.756 -4.189 -4.662 1.00 62.23 C ATOM 1417 CG LEU A 91 -12.220 -2.862 -4.036 1.00 12.41 C ATOM 1418 CD1 LEU A 91 -11.028 -2.002 -3.638 1.00 12.53 C ATOM 1419 CD2 LEU A 91 -13.122 -2.109 -5.016 1.00 24.43 C ATOM 0 H LEU A 91 -12.154 -5.840 -2.814 1.00 31.15 H new ATOM 0 HA LEU A 91 -13.796 -4.836 -4.988 1.00 13.24 H new ATOM 0 HB2 LEU A 91 -10.910 -4.569 -4.090 1.00 62.23 H new ATOM 0 HB3 LEU A 91 -11.396 -3.993 -5.672 1.00 62.23 H new ATOM 0 HG LEU A 91 -12.788 -3.086 -3.133 1.00 12.41 H new ATOM 0 HD11 LEU A 91 -11.383 -1.070 -3.198 1.00 12.53 H new ATOM 0 HD12 LEU A 91 -10.419 -2.538 -2.910 1.00 12.53 H new ATOM 0 HD13 LEU A 91 -10.428 -1.781 -4.521 1.00 12.53 H new ATOM 0 HD21 LEU A 91 -13.446 -1.171 -4.565 1.00 24.43 H new ATOM 0 HD22 LEU A 91 -12.569 -1.900 -5.932 1.00 24.43 H new ATOM 0 HD23 LEU A 91 -13.994 -2.719 -5.250 1.00 24.43 H new ATOM 1431 N ARG A 92 -12.148 -7.517 -5.441 1.00 12.14 N ATOM 1432 CA ARG A 92 -11.893 -8.603 -6.402 1.00 4.05 C ATOM 1433 C ARG A 92 -10.752 -8.265 -7.378 1.00 1.31 C ATOM 1434 O ARG A 92 -10.631 -8.875 -8.444 1.00 75.32 O ATOM 1435 CB ARG A 92 -13.178 -8.925 -7.185 1.00 74.52 C ATOM 1436 CG ARG A 92 -14.306 -9.477 -6.319 1.00 33.01 C ATOM 1437 CD ARG A 92 -13.910 -10.794 -5.661 1.00 13.12 C ATOM 1438 NE ARG A 92 -13.481 -11.784 -6.649 1.00 63.43 N ATOM 1439 CZ ARG A 92 -12.508 -12.636 -6.466 1.00 4.00 C ATOM 1440 NH1 ARG A 92 -11.809 -12.621 -5.377 1.00 55.51 N ATOM 1441 NH2 ARG A 92 -12.211 -13.482 -7.397 1.00 54.44 N ATOM 0 H ARG A 92 -12.032 -7.787 -4.464 1.00 12.14 H new ATOM 0 HA ARG A 92 -11.581 -9.477 -5.829 1.00 4.05 H new ATOM 0 HB2 ARG A 92 -13.525 -8.020 -7.683 1.00 74.52 H new ATOM 0 HB3 ARG A 92 -12.945 -9.649 -7.966 1.00 74.52 H new ATOM 0 HG2 ARG A 92 -14.566 -8.749 -5.551 1.00 33.01 H new ATOM 0 HG3 ARG A 92 -15.196 -9.627 -6.930 1.00 33.01 H new ATOM 0 HD2 ARG A 92 -13.104 -10.617 -4.949 1.00 13.12 H new ATOM 0 HD3 ARG A 92 -14.755 -11.187 -5.095 1.00 13.12 H new ATOM 0 HE ARG A 92 -13.975 -11.811 -7.541 1.00 63.43 H new ATOM 0 HH11 ARG A 92 -12.015 -11.938 -4.648 1.00 55.51 H new ATOM 0 HH12 ARG A 92 -11.052 -13.292 -5.248 1.00 55.51 H new ATOM 0 HH21 ARG A 92 -12.736 -13.483 -8.272 1.00 54.44 H new ATOM 0 HH22 ARG A 92 -11.452 -14.149 -7.257 1.00 54.44 H new ATOM 1455 N LEU A 93 -9.905 -7.309 -7.008 1.00 63.11 N ATOM 1456 CA LEU A 93 -8.800 -6.883 -7.873 1.00 53.12 C ATOM 1457 C LEU A 93 -7.564 -7.772 -7.685 1.00 2.34 C ATOM 1458 O LEU A 93 -7.469 -8.525 -6.714 1.00 42.13 O ATOM 1459 CB LEU A 93 -8.470 -5.395 -7.628 1.00 22.05 C ATOM 1460 CG LEU A 93 -8.073 -4.999 -6.186 1.00 3.32 C ATOM 1461 CD1 LEU A 93 -6.604 -5.312 -5.896 1.00 4.11 C ATOM 1462 CD2 LEU A 93 -8.363 -3.520 -5.938 1.00 74.40 C ATOM 0 H LEU A 93 -9.959 -6.813 -6.118 1.00 63.11 H new ATOM 0 HA LEU A 93 -9.117 -6.995 -8.910 1.00 53.12 H new ATOM 0 HB2 LEU A 93 -7.655 -5.113 -8.295 1.00 22.05 H new ATOM 0 HB3 LEU A 93 -9.338 -4.802 -7.917 1.00 22.05 H new ATOM 0 HG LEU A 93 -8.678 -5.596 -5.504 1.00 3.32 H new ATOM 0 HD11 LEU A 93 -6.365 -5.019 -4.874 1.00 4.11 H new ATOM 0 HD12 LEU A 93 -6.429 -6.381 -6.018 1.00 4.11 H new ATOM 0 HD13 LEU A 93 -5.970 -4.759 -6.589 1.00 4.11 H new ATOM 0 HD21 LEU A 93 -8.078 -3.259 -4.919 1.00 74.40 H new ATOM 0 HD22 LEU A 93 -7.791 -2.914 -6.641 1.00 74.40 H new ATOM 0 HD23 LEU A 93 -9.427 -3.330 -6.077 1.00 74.40 H new ATOM 1474 N GLU A 94 -6.621 -7.682 -8.617 1.00 23.31 N ATOM 1475 CA GLU A 94 -5.412 -8.508 -8.575 1.00 62.15 C ATOM 1476 C GLU A 94 -4.451 -8.037 -7.476 1.00 1.40 C ATOM 1477 O GLU A 94 -4.022 -6.880 -7.454 1.00 15.41 O ATOM 1478 CB GLU A 94 -4.714 -8.501 -9.939 1.00 2.41 C ATOM 1479 CG GLU A 94 -5.590 -9.043 -11.064 1.00 54.43 C ATOM 1480 CD GLU A 94 -4.846 -9.177 -12.379 1.00 11.41 C ATOM 1481 OE1 GLU A 94 -4.193 -10.221 -12.590 1.00 42.21 O ATOM 1482 OE2 GLU A 94 -4.911 -8.243 -13.207 1.00 12.32 O ATOM 0 H GLU A 94 -6.668 -7.046 -9.413 1.00 23.31 H new ATOM 0 HA GLU A 94 -5.711 -9.529 -8.339 1.00 62.15 H new ATOM 0 HB2 GLU A 94 -4.413 -7.482 -10.181 1.00 2.41 H new ATOM 0 HB3 GLU A 94 -3.803 -9.097 -9.877 1.00 2.41 H new ATOM 0 HG2 GLU A 94 -5.983 -10.017 -10.774 1.00 54.43 H new ATOM 0 HG3 GLU A 94 -6.446 -8.382 -11.202 1.00 54.43 H new ATOM 1489 N THR A 95 -4.124 -8.942 -6.565 1.00 63.32 N ATOM 1490 CA THR A 95 -3.270 -8.625 -5.418 1.00 64.24 C ATOM 1491 C THR A 95 -1.810 -9.016 -5.665 1.00 12.22 C ATOM 1492 O THR A 95 -1.519 -10.056 -6.264 1.00 60.34 O ATOM 1493 CB THR A 95 -3.765 -9.346 -4.144 1.00 53.33 C ATOM 1494 OG1 THR A 95 -3.747 -10.768 -4.341 1.00 14.11 O ATOM 1495 CG2 THR A 95 -5.179 -8.899 -3.780 1.00 34.51 C ATOM 0 H THR A 95 -4.438 -9.912 -6.595 1.00 63.32 H new ATOM 0 HA THR A 95 -3.327 -7.545 -5.280 1.00 64.24 H new ATOM 0 HB THR A 95 -3.094 -9.085 -3.326 1.00 53.33 H new ATOM 0 HG1 THR A 95 -4.061 -11.215 -3.527 1.00 14.11 H new ATOM 0 HG21 THR A 95 -5.505 -9.420 -2.880 1.00 34.51 H new ATOM 0 HG22 THR A 95 -5.186 -7.824 -3.599 1.00 34.51 H new ATOM 0 HG23 THR A 95 -5.857 -9.133 -4.601 1.00 34.51 H new ATOM 1503 N PHE A 96 -0.892 -8.175 -5.200 1.00 32.23 N ATOM 1504 CA PHE A 96 0.539 -8.467 -5.303 1.00 20.32 C ATOM 1505 C PHE A 96 0.992 -9.376 -4.151 1.00 31.35 C ATOM 1506 O PHE A 96 0.196 -9.748 -3.286 1.00 2.00 O ATOM 1507 CB PHE A 96 1.353 -7.165 -5.311 1.00 61.03 C ATOM 1508 CG PHE A 96 1.197 -6.326 -4.062 1.00 54.51 C ATOM 1509 CD1 PHE A 96 0.197 -5.369 -3.972 1.00 1.05 C ATOM 1510 CD2 PHE A 96 2.057 -6.490 -2.984 1.00 51.31 C ATOM 1511 CE1 PHE A 96 0.058 -4.594 -2.834 1.00 12.33 C ATOM 1512 CE2 PHE A 96 1.921 -5.719 -1.846 1.00 60.43 C ATOM 1513 CZ PHE A 96 0.921 -4.770 -1.770 1.00 64.43 C ATOM 0 H PHE A 96 -1.110 -7.287 -4.748 1.00 32.23 H new ATOM 0 HA PHE A 96 0.714 -8.992 -6.242 1.00 20.32 H new ATOM 0 HB2 PHE A 96 2.407 -7.410 -5.441 1.00 61.03 H new ATOM 0 HB3 PHE A 96 1.056 -6.570 -6.174 1.00 61.03 H new ATOM 0 HD1 PHE A 96 -0.481 -5.227 -4.800 1.00 1.05 H new ATOM 0 HD2 PHE A 96 2.842 -7.230 -3.036 1.00 51.31 H new ATOM 0 HE1 PHE A 96 -0.725 -3.852 -2.778 1.00 12.33 H new ATOM 0 HE2 PHE A 96 2.597 -5.859 -1.015 1.00 60.43 H new ATOM 0 HZ PHE A 96 0.814 -4.167 -0.881 1.00 64.43 H new ATOM 1523 N ASP A 97 2.268 -9.733 -4.143 1.00 42.43 N ATOM 1524 CA ASP A 97 2.818 -10.578 -3.088 1.00 23.30 C ATOM 1525 C ASP A 97 3.619 -9.738 -2.082 1.00 12.11 C ATOM 1526 O ASP A 97 4.464 -8.925 -2.468 1.00 24.00 O ATOM 1527 CB ASP A 97 3.695 -11.667 -3.705 1.00 60.13 C ATOM 1528 CG ASP A 97 2.992 -12.379 -4.850 1.00 35.32 C ATOM 1529 OD1 ASP A 97 3.015 -11.858 -5.988 1.00 73.21 O ATOM 1530 OD2 ASP A 97 2.402 -13.455 -4.622 1.00 15.42 O ATOM 0 H ASP A 97 2.943 -9.452 -4.854 1.00 42.43 H new ATOM 0 HA ASP A 97 1.997 -11.050 -2.549 1.00 23.30 H new ATOM 0 HB2 ASP A 97 4.623 -11.224 -4.068 1.00 60.13 H new ATOM 0 HB3 ASP A 97 3.967 -12.393 -2.938 1.00 60.13 H new ATOM 1535 N ALA A 98 3.347 -9.938 -0.792 1.00 40.13 N ATOM 1536 CA ALA A 98 4.011 -9.184 0.281 1.00 1.43 C ATOM 1537 C ALA A 98 5.542 -9.217 0.149 1.00 20.33 C ATOM 1538 O ALA A 98 6.230 -8.230 0.427 1.00 21.44 O ATOM 1539 CB ALA A 98 3.597 -9.745 1.639 1.00 21.43 C ATOM 0 H ALA A 98 2.666 -10.621 -0.459 1.00 40.13 H new ATOM 0 HA ALA A 98 3.696 -8.144 0.196 1.00 1.43 H new ATOM 0 HB1 ALA A 98 4.092 -9.183 2.431 1.00 21.43 H new ATOM 0 HB2 ALA A 98 2.516 -9.659 1.754 1.00 21.43 H new ATOM 0 HB3 ALA A 98 3.887 -10.794 1.703 1.00 21.43 H new ATOM 1545 N ASN A 99 6.063 -10.360 -0.283 1.00 23.44 N ATOM 1546 CA ASN A 99 7.508 -10.564 -0.422 1.00 12.53 C ATOM 1547 C ASN A 99 8.134 -9.615 -1.458 1.00 44.31 C ATOM 1548 O ASN A 99 9.233 -9.101 -1.251 1.00 55.30 O ATOM 1549 CB ASN A 99 7.797 -12.024 -0.792 1.00 74.54 C ATOM 1550 CG ASN A 99 7.236 -12.998 0.230 1.00 24.01 C ATOM 1551 OD1 ASN A 99 6.201 -12.753 0.843 1.00 34.31 O ATOM 1552 ND2 ASN A 99 7.918 -14.104 0.433 1.00 1.15 N ATOM 0 H ASN A 99 5.502 -11.170 -0.547 1.00 23.44 H new ATOM 0 HA ASN A 99 7.966 -10.334 0.540 1.00 12.53 H new ATOM 0 HB2 ASN A 99 7.369 -12.240 -1.771 1.00 74.54 H new ATOM 0 HB3 ASN A 99 8.874 -12.169 -0.876 1.00 74.54 H new ATOM 0 HD21 ASN A 99 7.590 -14.787 1.116 1.00 1.15 H new ATOM 0 HD22 ASN A 99 8.775 -14.279 -0.092 1.00 1.15 H new ATOM 1559 N ASP A 100 7.433 -9.375 -2.565 1.00 60.44 N ATOM 1560 CA ASP A 100 7.930 -8.470 -3.607 1.00 63.11 C ATOM 1561 C ASP A 100 8.131 -7.044 -3.075 1.00 2.41 C ATOM 1562 O ASP A 100 9.159 -6.416 -3.326 1.00 51.12 O ATOM 1563 CB ASP A 100 6.980 -8.458 -4.802 1.00 50.33 C ATOM 1564 CG ASP A 100 7.038 -9.760 -5.572 1.00 51.11 C ATOM 1565 OD1 ASP A 100 7.981 -9.935 -6.363 1.00 42.14 O ATOM 1566 OD2 ASP A 100 6.148 -10.609 -5.390 1.00 43.12 O ATOM 0 H ASP A 100 6.523 -9.791 -2.766 1.00 60.44 H new ATOM 0 HA ASP A 100 8.902 -8.844 -3.928 1.00 63.11 H new ATOM 0 HB2 ASP A 100 5.961 -8.284 -4.456 1.00 50.33 H new ATOM 0 HB3 ASP A 100 7.237 -7.631 -5.464 1.00 50.33 H new ATOM 1571 N LEU A 101 7.150 -6.549 -2.333 1.00 21.34 N ATOM 1572 CA LEU A 101 7.226 -5.209 -1.749 1.00 43.34 C ATOM 1573 C LEU A 101 8.295 -5.139 -0.646 1.00 22.20 C ATOM 1574 O LEU A 101 9.171 -4.274 -0.666 1.00 4.23 O ATOM 1575 CB LEU A 101 5.855 -4.813 -1.183 1.00 73.51 C ATOM 1576 CG LEU A 101 5.786 -3.424 -0.525 1.00 2.43 C ATOM 1577 CD1 LEU A 101 6.144 -2.323 -1.521 1.00 31.54 C ATOM 1578 CD2 LEU A 101 4.402 -3.187 0.073 1.00 73.43 C ATOM 0 H LEU A 101 6.289 -7.053 -2.119 1.00 21.34 H new ATOM 0 HA LEU A 101 7.512 -4.509 -2.534 1.00 43.34 H new ATOM 0 HB2 LEU A 101 5.124 -4.850 -1.990 1.00 73.51 H new ATOM 0 HB3 LEU A 101 5.556 -5.560 -0.447 1.00 73.51 H new ATOM 0 HG LEU A 101 6.520 -3.393 0.280 1.00 2.43 H new ATOM 0 HD11 LEU A 101 6.086 -1.353 -1.027 1.00 31.54 H new ATOM 0 HD12 LEU A 101 7.157 -2.482 -1.891 1.00 31.54 H new ATOM 0 HD13 LEU A 101 5.445 -2.347 -2.357 1.00 31.54 H new ATOM 0 HD21 LEU A 101 4.369 -2.200 0.535 1.00 73.43 H new ATOM 0 HD22 LEU A 101 3.651 -3.244 -0.715 1.00 73.43 H new ATOM 0 HD23 LEU A 101 4.196 -3.947 0.827 1.00 73.43 H new ATOM 1590 N TYR A 102 8.229 -6.072 0.300 1.00 34.20 N ATOM 1591 CA TYR A 102 9.119 -6.064 1.467 1.00 45.22 C ATOM 1592 C TYR A 102 10.586 -6.357 1.095 1.00 1.42 C ATOM 1593 O TYR A 102 11.508 -5.825 1.712 1.00 54.53 O ATOM 1594 CB TYR A 102 8.624 -7.080 2.505 1.00 15.41 C ATOM 1595 CG TYR A 102 9.380 -7.026 3.821 1.00 52.22 C ATOM 1596 CD1 TYR A 102 9.414 -5.856 4.573 1.00 43.44 C ATOM 1597 CD2 TYR A 102 10.058 -8.137 4.308 1.00 50.34 C ATOM 1598 CE1 TYR A 102 10.099 -5.795 5.769 1.00 41.15 C ATOM 1599 CE2 TYR A 102 10.744 -8.084 5.505 1.00 30.43 C ATOM 1600 CZ TYR A 102 10.762 -6.911 6.231 1.00 41.31 C ATOM 1601 OH TYR A 102 11.450 -6.856 7.423 1.00 53.21 O ATOM 0 H TYR A 102 7.567 -6.848 0.285 1.00 34.20 H new ATOM 0 HA TYR A 102 9.092 -5.059 1.889 1.00 45.22 H new ATOM 0 HB2 TYR A 102 7.566 -6.904 2.697 1.00 15.41 H new ATOM 0 HB3 TYR A 102 8.710 -8.083 2.088 1.00 15.41 H new ATOM 0 HD1 TYR A 102 8.895 -4.980 4.214 1.00 43.44 H new ATOM 0 HD2 TYR A 102 10.048 -9.056 3.741 1.00 50.34 H new ATOM 0 HE1 TYR A 102 10.115 -4.878 6.340 1.00 41.15 H new ATOM 0 HE2 TYR A 102 11.264 -8.957 5.871 1.00 30.43 H new ATOM 0 HH TYR A 102 11.860 -7.727 7.605 1.00 53.21 H new ATOM 1611 N GLN A 103 10.800 -7.210 0.092 1.00 62.53 N ATOM 1612 CA GLN A 103 12.159 -7.580 -0.339 1.00 32.14 C ATOM 1613 C GLN A 103 12.593 -6.805 -1.597 1.00 30.02 C ATOM 1614 O GLN A 103 13.666 -7.058 -2.151 1.00 11.35 O ATOM 1615 CB GLN A 103 12.237 -9.093 -0.610 1.00 1.54 C ATOM 1616 CG GLN A 103 11.901 -9.974 0.594 1.00 21.32 C ATOM 1617 CD GLN A 103 12.874 -9.803 1.752 1.00 60.20 C ATOM 1618 OE1 GLN A 103 14.041 -9.488 1.558 1.00 63.24 O ATOM 1619 NE2 GLN A 103 12.407 -10.020 2.966 1.00 22.30 N ATOM 0 H GLN A 103 10.054 -7.660 -0.439 1.00 62.53 H new ATOM 0 HA GLN A 103 12.840 -7.316 0.470 1.00 32.14 H new ATOM 0 HB2 GLN A 103 11.556 -9.338 -1.425 1.00 1.54 H new ATOM 0 HB3 GLN A 103 13.243 -9.336 -0.952 1.00 1.54 H new ATOM 0 HG2 GLN A 103 10.893 -9.740 0.937 1.00 21.32 H new ATOM 0 HG3 GLN A 103 11.897 -11.018 0.282 1.00 21.32 H new ATOM 0 HE21 GLN A 103 11.430 -10.281 3.097 1.00 22.30 H new ATOM 0 HE22 GLN A 103 13.023 -9.927 3.774 1.00 22.30 H new ATOM 1628 N GLY A 104 11.755 -5.871 -2.050 1.00 22.25 N ATOM 1629 CA GLY A 104 12.081 -5.065 -3.228 1.00 50.13 C ATOM 1630 C GLY A 104 12.305 -5.892 -4.498 1.00 65.34 C ATOM 1631 O GLY A 104 13.155 -5.553 -5.327 1.00 21.04 O ATOM 0 H GLY A 104 10.854 -5.655 -1.624 1.00 22.25 H new ATOM 0 HA2 GLY A 104 11.274 -4.354 -3.406 1.00 50.13 H new ATOM 0 HA3 GLY A 104 12.979 -4.482 -3.021 1.00 50.13 H new ATOM 1635 N GLN A 105 11.539 -6.972 -4.655 1.00 2.25 N ATOM 1636 CA GLN A 105 11.687 -7.870 -5.811 1.00 41.52 C ATOM 1637 C GLN A 105 10.989 -7.308 -7.062 1.00 35.35 C ATOM 1638 O GLN A 105 11.628 -6.665 -7.895 1.00 63.24 O ATOM 1639 CB GLN A 105 11.146 -9.270 -5.472 1.00 20.41 C ATOM 1640 CG GLN A 105 11.889 -9.958 -4.334 1.00 20.32 C ATOM 1641 CD GLN A 105 13.327 -10.285 -4.693 1.00 0.14 C ATOM 1642 OE1 GLN A 105 13.621 -11.358 -5.206 1.00 31.21 O ATOM 1643 NE2 GLN A 105 14.231 -9.361 -4.443 1.00 1.33 N ATOM 0 H GLN A 105 10.809 -7.250 -3.999 1.00 2.25 H new ATOM 0 HA GLN A 105 12.750 -7.947 -6.038 1.00 41.52 H new ATOM 0 HB2 GLN A 105 10.092 -9.188 -5.208 1.00 20.41 H new ATOM 0 HB3 GLN A 105 11.203 -9.897 -6.362 1.00 20.41 H new ATOM 0 HG2 GLN A 105 11.875 -9.315 -3.454 1.00 20.32 H new ATOM 0 HG3 GLN A 105 11.367 -10.877 -4.066 1.00 20.32 H new ATOM 0 HE21 GLN A 105 13.953 -8.478 -4.015 1.00 1.33 H new ATOM 0 HE22 GLN A 105 15.209 -9.528 -4.678 1.00 1.33 H new ATOM 1652 N ASN A 106 9.683 -7.545 -7.191 1.00 61.52 N ATOM 1653 CA ASN A 106 8.905 -7.018 -8.318 1.00 54.53 C ATOM 1654 C ASN A 106 7.895 -5.961 -7.845 1.00 24.35 C ATOM 1655 O ASN A 106 6.730 -6.270 -7.583 1.00 31.23 O ATOM 1656 CB ASN A 106 8.173 -8.158 -9.034 1.00 12.43 C ATOM 1657 CG ASN A 106 9.122 -9.200 -9.596 1.00 71.15 C ATOM 1658 OD1 ASN A 106 9.615 -9.076 -10.712 1.00 34.43 O ATOM 1659 ND2 ASN A 106 9.381 -10.240 -8.832 1.00 5.11 N ATOM 0 H ASN A 106 9.139 -8.099 -6.529 1.00 61.52 H new ATOM 0 HA ASN A 106 9.597 -6.543 -9.014 1.00 54.53 H new ATOM 0 HB2 ASN A 106 7.485 -8.637 -8.337 1.00 12.43 H new ATOM 0 HB3 ASN A 106 7.571 -7.746 -9.844 1.00 12.43 H new ATOM 0 HD21 ASN A 106 10.008 -10.973 -9.164 1.00 5.11 H new ATOM 0 HD22 ASN A 106 8.955 -10.313 -7.908 1.00 5.11 H new ATOM 1666 N PHE A 107 8.350 -4.714 -7.722 1.00 25.44 N ATOM 1667 CA PHE A 107 7.487 -3.617 -7.268 1.00 35.51 C ATOM 1668 C PHE A 107 6.392 -3.289 -8.298 1.00 75.23 C ATOM 1669 O PHE A 107 5.306 -2.843 -7.934 1.00 35.42 O ATOM 1670 CB PHE A 107 8.324 -2.365 -6.969 1.00 54.40 C ATOM 1671 CG PHE A 107 7.504 -1.190 -6.488 1.00 63.10 C ATOM 1672 CD1 PHE A 107 6.977 -1.174 -5.201 1.00 23.10 C ATOM 1673 CD2 PHE A 107 7.255 -0.105 -7.321 1.00 12.32 C ATOM 1674 CE1 PHE A 107 6.221 -0.102 -4.761 1.00 25.14 C ATOM 1675 CE2 PHE A 107 6.500 0.966 -6.880 1.00 54.20 C ATOM 1676 CZ PHE A 107 5.982 0.967 -5.602 1.00 53.33 C ATOM 0 H PHE A 107 9.309 -4.436 -7.929 1.00 25.44 H new ATOM 0 HA PHE A 107 6.995 -3.945 -6.353 1.00 35.51 H new ATOM 0 HB2 PHE A 107 9.071 -2.609 -6.214 1.00 54.40 H new ATOM 0 HB3 PHE A 107 8.864 -2.076 -7.870 1.00 54.40 H new ATOM 0 HD1 PHE A 107 7.160 -2.007 -4.538 1.00 23.10 H new ATOM 0 HD2 PHE A 107 7.656 -0.099 -8.324 1.00 12.32 H new ATOM 0 HE1 PHE A 107 5.818 -0.101 -3.759 1.00 25.14 H new ATOM 0 HE2 PHE A 107 6.316 1.803 -7.537 1.00 54.20 H new ATOM 0 HZ PHE A 107 5.390 1.803 -5.259 1.00 53.33 H new ATOM 1686 N ASN A 108 6.687 -3.509 -9.577 1.00 51.23 N ATOM 1687 CA ASN A 108 5.718 -3.277 -10.661 1.00 73.15 C ATOM 1688 C ASN A 108 4.340 -3.907 -10.368 1.00 22.55 C ATOM 1689 O ASN A 108 3.304 -3.282 -10.604 1.00 20.53 O ATOM 1690 CB ASN A 108 6.274 -3.802 -11.990 1.00 33.54 C ATOM 1691 CG ASN A 108 6.924 -5.167 -11.847 1.00 5.13 C ATOM 1692 OD1 ASN A 108 6.264 -6.196 -11.903 1.00 62.14 O ATOM 1693 ND2 ASN A 108 8.231 -5.186 -11.669 1.00 63.51 N ATOM 0 H ASN A 108 7.594 -3.850 -9.896 1.00 51.23 H new ATOM 0 HA ASN A 108 5.566 -2.200 -10.731 1.00 73.15 H new ATOM 0 HB2 ASN A 108 5.467 -3.862 -12.720 1.00 33.54 H new ATOM 0 HB3 ASN A 108 7.005 -3.094 -12.380 1.00 33.54 H new ATOM 0 HD21 ASN A 108 8.720 -6.076 -11.574 1.00 63.51 H new ATOM 0 HD22 ASN A 108 8.753 -4.311 -11.627 1.00 63.51 H new ATOM 1700 N LYS A 109 4.329 -5.141 -9.854 1.00 62.32 N ATOM 1701 CA LYS A 109 3.074 -5.798 -9.458 1.00 40.54 C ATOM 1702 C LYS A 109 2.353 -4.995 -8.360 1.00 54.30 C ATOM 1703 O LYS A 109 1.128 -4.846 -8.377 1.00 65.03 O ATOM 1704 CB LYS A 109 3.340 -7.228 -8.961 1.00 31.43 C ATOM 1705 CG LYS A 109 4.001 -8.141 -9.993 1.00 51.23 C ATOM 1706 CD LYS A 109 4.045 -9.595 -9.520 1.00 5.43 C ATOM 1707 CE LYS A 109 4.817 -9.751 -8.216 1.00 51.13 C ATOM 1708 NZ LYS A 109 4.878 -11.165 -7.760 1.00 51.04 N ATOM 0 H LYS A 109 5.166 -5.703 -9.702 1.00 62.32 H new ATOM 0 HA LYS A 109 2.433 -5.842 -10.339 1.00 40.54 H new ATOM 0 HB2 LYS A 109 3.975 -7.180 -8.076 1.00 31.43 H new ATOM 0 HB3 LYS A 109 2.395 -7.674 -8.651 1.00 31.43 H new ATOM 0 HG2 LYS A 109 3.454 -8.081 -10.934 1.00 51.23 H new ATOM 0 HG3 LYS A 109 5.015 -7.792 -10.191 1.00 51.23 H new ATOM 0 HD2 LYS A 109 3.028 -9.963 -9.385 1.00 5.43 H new ATOM 0 HD3 LYS A 109 4.507 -10.212 -10.290 1.00 5.43 H new ATOM 0 HE2 LYS A 109 5.830 -9.371 -8.349 1.00 51.13 H new ATOM 0 HE3 LYS A 109 4.347 -9.143 -7.443 1.00 51.13 H new ATOM 0 HZ1 LYS A 109 5.523 -11.240 -6.948 1.00 51.04 H new ATOM 0 HZ2 LYS A 109 3.928 -11.480 -7.478 1.00 51.04 H new ATOM 0 HZ3 LYS A 109 5.225 -11.765 -8.535 1.00 51.04 H new ATOM 1722 N VAL A 110 3.132 -4.477 -7.412 1.00 4.22 N ATOM 1723 CA VAL A 110 2.600 -3.661 -6.317 1.00 70.02 C ATOM 1724 C VAL A 110 1.986 -2.357 -6.849 1.00 31.33 C ATOM 1725 O VAL A 110 0.822 -2.051 -6.587 1.00 60.03 O ATOM 1726 CB VAL A 110 3.706 -3.312 -5.286 1.00 2.20 C ATOM 1727 CG1 VAL A 110 3.125 -2.562 -4.088 1.00 63.13 C ATOM 1728 CG2 VAL A 110 4.453 -4.569 -4.837 1.00 52.22 C ATOM 0 H VAL A 110 4.143 -4.609 -7.379 1.00 4.22 H new ATOM 0 HA VAL A 110 1.827 -4.252 -5.826 1.00 70.02 H new ATOM 0 HB VAL A 110 4.423 -2.653 -5.776 1.00 2.20 H new ATOM 0 HG11 VAL A 110 3.923 -2.330 -3.382 1.00 63.13 H new ATOM 0 HG12 VAL A 110 2.662 -1.636 -4.428 1.00 63.13 H new ATOM 0 HG13 VAL A 110 2.376 -3.184 -3.598 1.00 63.13 H new ATOM 0 HG21 VAL A 110 5.223 -4.296 -4.115 1.00 52.22 H new ATOM 0 HG22 VAL A 110 3.751 -5.264 -4.375 1.00 52.22 H new ATOM 0 HG23 VAL A 110 4.918 -5.044 -5.701 1.00 52.22 H new ATOM 1738 N LEU A 111 2.782 -1.605 -7.610 1.00 44.30 N ATOM 1739 CA LEU A 111 2.345 -0.329 -8.186 1.00 1.10 C ATOM 1740 C LEU A 111 1.071 -0.501 -9.032 1.00 25.44 C ATOM 1741 O LEU A 111 0.124 0.273 -8.904 1.00 1.42 O ATOM 1742 CB LEU A 111 3.469 0.273 -9.042 1.00 31.14 C ATOM 1743 CG LEU A 111 3.225 1.709 -9.544 1.00 42.41 C ATOM 1744 CD1 LEU A 111 3.135 2.687 -8.375 1.00 31.23 C ATOM 1745 CD2 LEU A 111 4.321 2.132 -10.521 1.00 25.31 C ATOM 0 H LEU A 111 3.742 -1.859 -7.844 1.00 44.30 H new ATOM 0 HA LEU A 111 2.113 0.349 -7.365 1.00 1.10 H new ATOM 0 HB2 LEU A 111 4.391 0.262 -8.460 1.00 31.14 H new ATOM 0 HB3 LEU A 111 3.630 -0.373 -9.905 1.00 31.14 H new ATOM 0 HG LEU A 111 2.271 1.726 -10.072 1.00 42.41 H new ATOM 0 HD11 LEU A 111 2.963 3.694 -8.755 1.00 31.23 H new ATOM 0 HD12 LEU A 111 2.311 2.399 -7.723 1.00 31.23 H new ATOM 0 HD13 LEU A 111 4.068 2.667 -7.811 1.00 31.23 H new ATOM 0 HD21 LEU A 111 4.130 3.149 -10.864 1.00 25.31 H new ATOM 0 HD22 LEU A 111 5.289 2.093 -10.021 1.00 25.31 H new ATOM 0 HD23 LEU A 111 4.327 1.456 -11.376 1.00 25.31 H new ATOM 1757 N SER A 112 1.048 -1.526 -9.886 1.00 1.31 N ATOM 1758 CA SER A 112 -0.129 -1.811 -10.725 1.00 54.24 C ATOM 1759 C SER A 112 -1.366 -2.117 -9.870 1.00 54.05 C ATOM 1760 O SER A 112 -2.480 -1.703 -10.201 1.00 61.24 O ATOM 1761 CB SER A 112 0.144 -2.989 -11.671 1.00 41.22 C ATOM 1762 OG SER A 112 -0.999 -3.284 -12.466 1.00 13.35 O ATOM 0 H SER A 112 1.825 -2.173 -10.018 1.00 1.31 H new ATOM 0 HA SER A 112 -0.326 -0.916 -11.316 1.00 54.24 H new ATOM 0 HB2 SER A 112 0.989 -2.752 -12.317 1.00 41.22 H new ATOM 0 HB3 SER A 112 0.424 -3.868 -11.091 1.00 41.22 H new ATOM 0 HG SER A 112 -0.798 -4.037 -13.061 1.00 13.35 H new ATOM 1768 N SER A 113 -1.167 -2.840 -8.769 1.00 33.20 N ATOM 1769 CA SER A 113 -2.264 -3.155 -7.844 1.00 52.25 C ATOM 1770 C SER A 113 -2.779 -1.881 -7.155 1.00 1.53 C ATOM 1771 O SER A 113 -3.986 -1.690 -7.001 1.00 24.20 O ATOM 1772 CB SER A 113 -1.809 -4.180 -6.795 1.00 73.44 C ATOM 1773 OG SER A 113 -2.890 -4.611 -5.979 1.00 31.53 O ATOM 0 H SER A 113 -0.261 -3.219 -8.493 1.00 33.20 H new ATOM 0 HA SER A 113 -3.080 -3.588 -8.422 1.00 52.25 H new ATOM 0 HB2 SER A 113 -1.365 -5.041 -7.295 1.00 73.44 H new ATOM 0 HB3 SER A 113 -1.033 -3.740 -6.169 1.00 73.44 H new ATOM 0 HG SER A 113 -3.344 -5.366 -6.409 1.00 31.53 H new ATOM 1779 N LEU A 114 -1.855 -0.998 -6.769 1.00 75.13 N ATOM 1780 CA LEU A 114 -2.213 0.294 -6.166 1.00 33.25 C ATOM 1781 C LEU A 114 -3.006 1.165 -7.155 1.00 0.23 C ATOM 1782 O LEU A 114 -4.038 1.741 -6.805 1.00 74.22 O ATOM 1783 CB LEU A 114 -0.949 1.041 -5.715 1.00 45.33 C ATOM 1784 CG LEU A 114 -0.116 0.336 -4.632 1.00 10.34 C ATOM 1785 CD1 LEU A 114 1.152 1.128 -4.326 1.00 74.11 C ATOM 1786 CD2 LEU A 114 -0.944 0.122 -3.364 1.00 53.43 C ATOM 0 H LEU A 114 -0.851 -1.152 -6.862 1.00 75.13 H new ATOM 0 HA LEU A 114 -2.842 0.096 -5.298 1.00 33.25 H new ATOM 0 HB2 LEU A 114 -0.315 1.206 -6.586 1.00 45.33 H new ATOM 0 HB3 LEU A 114 -1.241 2.023 -5.342 1.00 45.33 H new ATOM 0 HG LEU A 114 0.179 -0.642 -5.012 1.00 10.34 H new ATOM 0 HD11 LEU A 114 1.727 0.612 -3.557 1.00 74.11 H new ATOM 0 HD12 LEU A 114 1.753 1.216 -5.231 1.00 74.11 H new ATOM 0 HD13 LEU A 114 0.883 2.123 -3.971 1.00 74.11 H new ATOM 0 HD21 LEU A 114 -0.334 -0.378 -2.612 1.00 53.43 H new ATOM 0 HD22 LEU A 114 -1.276 1.086 -2.979 1.00 53.43 H new ATOM 0 HD23 LEU A 114 -1.812 -0.495 -3.596 1.00 53.43 H new ATOM 1798 N VAL A 115 -2.515 1.255 -8.395 1.00 64.43 N ATOM 1799 CA VAL A 115 -3.219 1.987 -9.456 1.00 52.35 C ATOM 1800 C VAL A 115 -4.630 1.422 -9.668 1.00 54.24 C ATOM 1801 O VAL A 115 -5.603 2.171 -9.763 1.00 23.02 O ATOM 1802 CB VAL A 115 -2.438 1.936 -10.797 1.00 52.44 C ATOM 1803 CG1 VAL A 115 -3.217 2.629 -11.918 1.00 52.41 C ATOM 1804 CG2 VAL A 115 -1.052 2.562 -10.641 1.00 3.41 C ATOM 0 H VAL A 115 -1.635 0.832 -8.690 1.00 64.43 H new ATOM 0 HA VAL A 115 -3.292 3.026 -9.133 1.00 52.35 H new ATOM 0 HB VAL A 115 -2.315 0.888 -11.070 1.00 52.44 H new ATOM 0 HG11 VAL A 115 -2.645 2.577 -12.844 1.00 52.41 H new ATOM 0 HG12 VAL A 115 -4.177 2.131 -12.056 1.00 52.41 H new ATOM 0 HG13 VAL A 115 -3.385 3.673 -11.653 1.00 52.41 H new ATOM 0 HG21 VAL A 115 -0.523 2.515 -11.593 1.00 3.41 H new ATOM 0 HG22 VAL A 115 -1.155 3.603 -10.334 1.00 3.41 H new ATOM 0 HG23 VAL A 115 -0.489 2.015 -9.885 1.00 3.41 H new ATOM 1814 N THR A 116 -4.737 0.094 -9.725 1.00 51.12 N ATOM 1815 CA THR A 116 -6.042 -0.570 -9.842 1.00 53.53 C ATOM 1816 C THR A 116 -6.944 -0.219 -8.654 1.00 61.43 C ATOM 1817 O THR A 116 -8.125 0.073 -8.826 1.00 64.12 O ATOM 1818 CB THR A 116 -5.909 -2.111 -9.920 1.00 63.11 C ATOM 1819 OG1 THR A 116 -5.034 -2.479 -11.002 1.00 61.30 O ATOM 1820 CG2 THR A 116 -7.279 -2.767 -10.116 1.00 62.23 C ATOM 0 H THR A 116 -3.941 -0.543 -9.692 1.00 51.12 H new ATOM 0 HA THR A 116 -6.486 -0.208 -10.769 1.00 53.53 H new ATOM 0 HB THR A 116 -5.486 -2.464 -8.979 1.00 63.11 H new ATOM 0 HG1 THR A 116 -4.116 -2.213 -10.785 1.00 61.30 H new ATOM 0 HG21 THR A 116 -7.160 -3.849 -10.168 1.00 62.23 H new ATOM 0 HG22 THR A 116 -7.927 -2.513 -9.277 1.00 62.23 H new ATOM 0 HG23 THR A 116 -7.726 -2.406 -11.042 1.00 62.23 H new ATOM 1828 N LEU A 117 -6.369 -0.247 -7.452 1.00 25.14 N ATOM 1829 CA LEU A 117 -7.090 0.121 -6.229 1.00 34.01 C ATOM 1830 C LEU A 117 -7.671 1.543 -6.340 1.00 11.13 C ATOM 1831 O LEU A 117 -8.811 1.798 -5.948 1.00 15.11 O ATOM 1832 CB LEU A 117 -6.147 0.025 -5.019 1.00 64.52 C ATOM 1833 CG LEU A 117 -6.789 0.318 -3.656 1.00 31.30 C ATOM 1834 CD1 LEU A 117 -7.882 -0.698 -3.336 1.00 51.15 C ATOM 1835 CD2 LEU A 117 -5.731 0.332 -2.558 1.00 32.31 C ATOM 0 H LEU A 117 -5.399 -0.522 -7.297 1.00 25.14 H new ATOM 0 HA LEU A 117 -7.919 -0.574 -6.094 1.00 34.01 H new ATOM 0 HB2 LEU A 117 -5.720 -0.977 -4.992 1.00 64.52 H new ATOM 0 HB3 LEU A 117 -5.320 0.720 -5.169 1.00 64.52 H new ATOM 0 HG LEU A 117 -7.250 1.305 -3.705 1.00 31.30 H new ATOM 0 HD11 LEU A 117 -8.320 -0.467 -2.365 1.00 51.15 H new ATOM 0 HD12 LEU A 117 -8.655 -0.654 -4.103 1.00 51.15 H new ATOM 0 HD13 LEU A 117 -7.452 -1.699 -3.311 1.00 51.15 H new ATOM 0 HD21 LEU A 117 -6.205 0.541 -1.599 1.00 32.31 H new ATOM 0 HD22 LEU A 117 -5.238 -0.639 -2.515 1.00 32.31 H new ATOM 0 HD23 LEU A 117 -4.993 1.104 -2.774 1.00 32.31 H new ATOM 1847 N ASN A 118 -6.875 2.463 -6.885 1.00 11.51 N ATOM 1848 CA ASN A 118 -7.326 3.837 -7.138 1.00 24.12 C ATOM 1849 C ASN A 118 -8.459 3.869 -8.181 1.00 62.14 C ATOM 1850 O ASN A 118 -9.482 4.526 -7.987 1.00 24.53 O ATOM 1851 CB ASN A 118 -6.140 4.691 -7.618 1.00 71.32 C ATOM 1852 CG ASN A 118 -6.523 6.133 -7.907 1.00 60.41 C ATOM 1853 OD1 ASN A 118 -6.905 6.479 -9.021 1.00 24.31 O ATOM 1854 ND2 ASN A 118 -6.414 6.989 -6.912 1.00 62.31 N ATOM 0 H ASN A 118 -5.910 2.283 -7.162 1.00 11.51 H new ATOM 0 HA ASN A 118 -7.717 4.247 -6.207 1.00 24.12 H new ATOM 0 HB2 ASN A 118 -5.357 4.674 -6.860 1.00 71.32 H new ATOM 0 HB3 ASN A 118 -5.720 4.245 -8.520 1.00 71.32 H new ATOM 0 HD21 ASN A 118 -6.650 7.971 -7.056 1.00 62.31 H new ATOM 0 HD22 ASN A 118 -6.094 6.670 -5.998 1.00 62.31 H new ATOM 1861 N LYS A 119 -8.273 3.140 -9.279 1.00 64.30 N ATOM 1862 CA LYS A 119 -9.243 3.119 -10.381 1.00 13.43 C ATOM 1863 C LYS A 119 -10.604 2.528 -9.963 1.00 53.34 C ATOM 1864 O LYS A 119 -11.656 3.067 -10.317 1.00 31.24 O ATOM 1865 CB LYS A 119 -8.672 2.322 -11.563 1.00 21.11 C ATOM 1866 CG LYS A 119 -7.450 2.971 -12.210 1.00 14.15 C ATOM 1867 CD LYS A 119 -6.897 2.123 -13.354 1.00 52.31 C ATOM 1868 CE LYS A 119 -7.970 1.807 -14.388 1.00 41.41 C ATOM 1869 NZ LYS A 119 -7.420 1.081 -15.559 1.00 12.32 N ATOM 0 H LYS A 119 -7.455 2.551 -9.433 1.00 64.30 H new ATOM 0 HA LYS A 119 -9.417 4.154 -10.675 1.00 13.43 H new ATOM 0 HB2 LYS A 119 -8.402 1.323 -11.220 1.00 21.11 H new ATOM 0 HB3 LYS A 119 -9.450 2.201 -12.317 1.00 21.11 H new ATOM 0 HG2 LYS A 119 -7.719 3.958 -12.586 1.00 14.15 H new ATOM 0 HG3 LYS A 119 -6.675 3.117 -11.458 1.00 14.15 H new ATOM 0 HD2 LYS A 119 -6.073 2.651 -13.834 1.00 52.31 H new ATOM 0 HD3 LYS A 119 -6.491 1.194 -12.955 1.00 52.31 H new ATOM 0 HE2 LYS A 119 -8.753 1.207 -13.925 1.00 41.41 H new ATOM 0 HE3 LYS A 119 -8.435 2.734 -14.723 1.00 41.41 H new ATOM 0 HZ1 LYS A 119 -8.184 0.886 -16.237 1.00 12.32 H new ATOM 0 HZ2 LYS A 119 -6.690 1.664 -16.017 1.00 12.32 H new ATOM 0 HZ3 LYS A 119 -6.999 0.183 -15.245 1.00 12.32 H new ATOM 1883 N VAL A 120 -10.585 1.420 -9.225 1.00 41.22 N ATOM 1884 CA VAL A 120 -11.826 0.744 -8.816 1.00 42.42 C ATOM 1885 C VAL A 120 -12.611 1.556 -7.768 1.00 70.44 C ATOM 1886 O VAL A 120 -13.841 1.586 -7.793 1.00 2.12 O ATOM 1887 CB VAL A 120 -11.549 -0.683 -8.276 1.00 73.04 C ATOM 1888 CG1 VAL A 120 -10.956 -1.571 -9.370 1.00 54.01 C ATOM 1889 CG2 VAL A 120 -10.630 -0.638 -7.058 1.00 74.41 C ATOM 0 H VAL A 120 -9.731 0.969 -8.897 1.00 41.22 H new ATOM 0 HA VAL A 120 -12.439 0.665 -9.714 1.00 42.42 H new ATOM 0 HB VAL A 120 -12.500 -1.115 -7.964 1.00 73.04 H new ATOM 0 HG11 VAL A 120 -10.770 -2.567 -8.969 1.00 54.01 H new ATOM 0 HG12 VAL A 120 -11.657 -1.640 -10.202 1.00 54.01 H new ATOM 0 HG13 VAL A 120 -10.018 -1.140 -9.720 1.00 54.01 H new ATOM 0 HG21 VAL A 120 -10.452 -1.652 -6.699 1.00 74.41 H new ATOM 0 HG22 VAL A 120 -9.681 -0.179 -7.335 1.00 74.41 H new ATOM 0 HG23 VAL A 120 -11.100 -0.051 -6.269 1.00 74.41 H new ATOM 1899 N THR A 121 -11.901 2.214 -6.853 1.00 35.31 N ATOM 1900 CA THR A 121 -12.552 3.068 -5.849 1.00 4.12 C ATOM 1901 C THR A 121 -13.047 4.379 -6.476 1.00 24.03 C ATOM 1902 O THR A 121 -14.154 4.838 -6.187 1.00 53.24 O ATOM 1903 CB THR A 121 -11.609 3.387 -4.665 1.00 54.01 C ATOM 1904 OG1 THR A 121 -10.386 3.963 -5.148 1.00 24.54 O ATOM 1905 CG2 THR A 121 -11.303 2.130 -3.855 1.00 53.44 C ATOM 0 H THR A 121 -10.884 2.176 -6.782 1.00 35.31 H new ATOM 0 HA THR A 121 -13.406 2.508 -5.468 1.00 4.12 H new ATOM 0 HB THR A 121 -12.113 4.102 -4.015 1.00 54.01 H new ATOM 0 HG1 THR A 121 -9.790 3.251 -5.460 1.00 24.54 H new ATOM 0 HG21 THR A 121 -10.638 2.382 -3.029 1.00 53.44 H new ATOM 0 HG22 THR A 121 -12.231 1.716 -3.461 1.00 53.44 H new ATOM 0 HG23 THR A 121 -10.821 1.392 -4.496 1.00 53.44 H new ATOM 1913 N ALA A 122 -12.227 4.979 -7.341 1.00 54.44 N ATOM 1914 CA ALA A 122 -12.634 6.170 -8.097 1.00 61.44 C ATOM 1915 C ALA A 122 -13.884 5.891 -8.947 1.00 52.11 C ATOM 1916 O ALA A 122 -14.744 6.758 -9.110 1.00 20.52 O ATOM 1917 CB ALA A 122 -11.488 6.654 -8.981 1.00 21.23 C ATOM 0 H ALA A 122 -11.278 4.662 -7.537 1.00 54.44 H new ATOM 0 HA ALA A 122 -12.883 6.953 -7.381 1.00 61.44 H new ATOM 0 HB1 ALA A 122 -11.804 7.537 -9.536 1.00 21.23 H new ATOM 0 HB2 ALA A 122 -10.629 6.905 -8.358 1.00 21.23 H new ATOM 0 HB3 ALA A 122 -11.211 5.866 -9.681 1.00 21.23 H new ATOM 1923 N ASP A 123 -13.978 4.665 -9.469 1.00 34.44 N ATOM 1924 CA ASP A 123 -15.138 4.231 -10.259 1.00 32.43 C ATOM 1925 C ASP A 123 -16.451 4.399 -9.472 1.00 23.44 C ATOM 1926 O ASP A 123 -17.485 4.754 -10.038 1.00 11.33 O ATOM 1927 CB ASP A 123 -14.959 2.767 -10.681 1.00 74.43 C ATOM 1928 CG ASP A 123 -16.108 2.255 -11.535 1.00 62.32 C ATOM 1929 OD1 ASP A 123 -16.123 2.535 -12.752 1.00 61.11 O ATOM 1930 OD2 ASP A 123 -17.000 1.568 -10.996 1.00 22.33 O ATOM 0 H ASP A 123 -13.260 3.949 -9.359 1.00 34.44 H new ATOM 0 HA ASP A 123 -15.200 4.861 -11.146 1.00 32.43 H new ATOM 0 HB2 ASP A 123 -14.026 2.665 -11.236 1.00 74.43 H new ATOM 0 HB3 ASP A 123 -14.869 2.145 -9.790 1.00 74.43 H new