USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 499 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.533 X(o=-0.53,f=-0.21) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.065 X(o=-0.065,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HD1:sc= -0.135 X(o=-0.14,f=-0.078) USER MOD Single : A 36 MET CE :methyl 164:sc= -0.188 (180deg=-0.348) USER MOD Single : A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl -174:sc= -0.464 (180deg=-0.533) USER MOD Single : A 64 THR OG1 : rot 92:sc= 1.26 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0.49) USER MOD Single : A 73 THR OG1 : rot 78:sc= 0.985 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 173:sc= 1.27 USER MOD Single : A 78 HIS : no HD1:sc= -0.0853 X(o=-0.085,f=-0.26) USER MOD Single : A 82 THR OG1 : rot 30:sc= 0.399 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 179 N SER A 14 -4.375 11.768 -7.258 1.00 52.14 N ATOM 180 CA SER A 14 -3.224 12.548 -6.836 1.00 72.21 C ATOM 181 C SER A 14 -2.119 11.587 -6.405 1.00 15.10 C ATOM 182 O SER A 14 -2.328 10.374 -6.363 1.00 54.05 O ATOM 183 CB SER A 14 -3.635 13.516 -5.719 1.00 12.21 C ATOM 184 OG SER A 14 -4.223 14.671 -6.301 1.00 40.01 O ATOM 0 HA SER A 14 -2.842 13.157 -7.655 1.00 72.21 H new ATOM 0 HB2 SER A 14 -4.342 13.033 -5.044 1.00 12.21 H new ATOM 0 HB3 SER A 14 -2.765 13.795 -5.124 1.00 12.21 H new ATOM 0 HG SER A 14 -4.490 15.294 -5.593 1.00 40.01 H new ATOM 189 N GLU A 15 -0.943 12.129 -6.091 1.00 72.52 N ATOM 190 CA GLU A 15 0.259 11.412 -5.673 1.00 35.32 C ATOM 191 C GLU A 15 0.137 10.876 -4.235 1.00 1.42 C ATOM 192 O GLU A 15 1.055 11.037 -3.428 1.00 32.30 O ATOM 193 CB GLU A 15 1.478 12.336 -5.863 1.00 13.13 C ATOM 194 CG GLU A 15 1.892 12.499 -7.332 1.00 14.31 C ATOM 195 CD GLU A 15 2.321 11.176 -7.983 1.00 4.02 C ATOM 196 OE1 GLU A 15 3.312 10.555 -7.536 1.00 10.24 O ATOM 197 OE2 GLU A 15 1.704 10.790 -9.002 1.00 30.51 O ATOM 0 H GLU A 15 -0.796 13.138 -6.124 1.00 72.52 H new ATOM 0 HA GLU A 15 0.391 10.529 -6.298 1.00 35.32 H new ATOM 0 HB2 GLU A 15 1.250 13.317 -5.446 1.00 13.13 H new ATOM 0 HB3 GLU A 15 2.320 11.937 -5.297 1.00 13.13 H new ATOM 0 HG2 GLU A 15 1.059 12.921 -7.894 1.00 14.31 H new ATOM 0 HG3 GLU A 15 2.714 13.212 -7.396 1.00 14.31 H new ATOM 202 N ASN A 16 -0.993 10.272 -3.854 1.00 32.43 N ATOM 203 CA ASN A 16 -1.170 9.601 -2.558 1.00 12.00 C ATOM 204 C ASN A 16 -1.888 8.253 -2.733 1.00 61.22 C ATOM 205 O ASN A 16 -2.491 7.745 -1.791 1.00 51.11 O ATOM 206 CB ASN A 16 -1.830 10.494 -1.464 1.00 40.15 C ATOM 207 CG ASN A 16 -1.817 12.007 -1.682 1.00 75.13 C ATOM 208 OD1 ASN A 16 -2.847 12.671 -1.638 1.00 51.31 O ATOM 209 ND2 ASN A 16 -0.657 12.604 -1.900 1.00 41.02 N ATOM 0 H ASN A 16 -1.824 10.234 -4.444 1.00 32.43 H new ATOM 0 HA ASN A 16 -0.169 9.403 -2.176 1.00 12.00 H new ATOM 0 HB2 ASN A 16 -2.868 10.179 -1.355 1.00 40.15 H new ATOM 0 HB3 ASN A 16 -1.333 10.287 -0.516 1.00 40.15 H new ATOM 0 HD21 ASN A 16 -0.620 13.615 -2.031 1.00 41.02 H new ATOM 0 HD22 ASN A 16 0.201 12.054 -1.937 1.00 41.02 H new ATOM 215 N ARG A 17 -1.849 7.654 -3.927 1.00 52.21 N ATOM 216 CA ARG A 17 -2.664 6.495 -4.297 1.00 51.02 C ATOM 217 C ARG A 17 -1.746 5.342 -4.707 1.00 3.44 C ATOM 218 O ARG A 17 -0.773 5.544 -5.435 1.00 30.31 O ATOM 219 CB ARG A 17 -3.626 6.913 -5.423 1.00 11.20 C ATOM 220 CG ARG A 17 -4.726 5.871 -5.656 1.00 13.20 C ATOM 221 CD ARG A 17 -5.583 6.329 -6.835 1.00 21.34 C ATOM 222 NE ARG A 17 -6.578 5.320 -7.218 1.00 40.24 N ATOM 223 CZ ARG A 17 -7.809 5.194 -6.711 1.00 64.12 C ATOM 224 NH1 ARG A 17 -8.201 5.887 -5.643 1.00 62.21 N ATOM 225 NH2 ARG A 17 -8.687 4.383 -7.284 1.00 23.53 N ATOM 0 H ARG A 17 -1.236 7.969 -4.679 1.00 52.21 H new ATOM 0 HA ARG A 17 -3.263 6.146 -3.455 1.00 51.02 H new ATOM 0 HB2 ARG A 17 -4.082 7.871 -5.173 1.00 11.20 H new ATOM 0 HB3 ARG A 17 -3.063 7.058 -6.345 1.00 11.20 H new ATOM 0 HG2 ARG A 17 -4.286 4.895 -5.863 1.00 13.20 H new ATOM 0 HG3 ARG A 17 -5.339 5.761 -4.762 1.00 13.20 H new ATOM 0 HD2 ARG A 17 -6.091 7.258 -6.575 1.00 21.34 H new ATOM 0 HD3 ARG A 17 -4.940 6.546 -7.688 1.00 21.34 H new ATOM 0 HE ARG A 17 -6.305 4.652 -7.939 1.00 40.24 H new ATOM 0 HH11 ARG A 17 -7.556 6.534 -5.190 1.00 62.21 H new ATOM 0 HH12 ARG A 17 -9.146 5.770 -5.278 1.00 62.21 H new ATOM 0 HH21 ARG A 17 -8.425 3.852 -8.115 1.00 23.53 H new ATOM 0 HH22 ARG A 17 -9.625 4.290 -6.894 1.00 23.53 H new ATOM 236 N VAL A 18 -2.047 4.126 -4.255 1.00 13.34 N ATOM 237 CA VAL A 18 -1.213 2.951 -4.490 1.00 23.13 C ATOM 238 C VAL A 18 -2.112 1.733 -4.699 1.00 51.12 C ATOM 239 O VAL A 18 -3.226 1.676 -4.176 1.00 23.32 O ATOM 240 CB VAL A 18 -0.215 2.730 -3.321 1.00 43.32 C ATOM 241 CG1 VAL A 18 1.109 3.482 -3.514 1.00 5.14 C ATOM 242 CG2 VAL A 18 -0.776 3.125 -1.947 1.00 15.30 C ATOM 0 H VAL A 18 -2.886 3.928 -3.710 1.00 13.34 H new ATOM 0 HA VAL A 18 -0.615 3.106 -5.388 1.00 23.13 H new ATOM 0 HB VAL A 18 -0.039 1.654 -3.340 1.00 43.32 H new ATOM 0 HG11 VAL A 18 1.765 3.288 -2.665 1.00 5.14 H new ATOM 0 HG12 VAL A 18 1.591 3.141 -4.430 1.00 5.14 H new ATOM 0 HG13 VAL A 18 0.913 4.552 -3.584 1.00 5.14 H new ATOM 0 HG21 VAL A 18 -0.023 2.943 -1.180 1.00 15.30 H new ATOM 0 HG22 VAL A 18 -1.040 4.183 -1.952 1.00 15.30 H new ATOM 0 HG23 VAL A 18 -1.664 2.530 -1.732 1.00 15.30 H new ATOM 252 N VAL A 19 -1.612 0.711 -5.387 1.00 71.53 N ATOM 253 CA VAL A 19 -2.322 -0.530 -5.671 1.00 3.43 C ATOM 254 C VAL A 19 -1.446 -1.688 -5.186 1.00 23.44 C ATOM 255 O VAL A 19 -0.222 -1.653 -5.337 1.00 34.13 O ATOM 256 CB VAL A 19 -2.644 -0.597 -7.183 1.00 53.43 C ATOM 257 CG1 VAL A 19 -3.414 -1.856 -7.610 1.00 72.41 C ATOM 258 CG2 VAL A 19 -3.462 0.619 -7.641 1.00 13.21 C ATOM 0 H VAL A 19 -0.669 0.725 -5.775 1.00 71.53 H new ATOM 0 HA VAL A 19 -3.277 -0.588 -5.149 1.00 3.43 H new ATOM 0 HB VAL A 19 -1.664 -0.616 -7.659 1.00 53.43 H new ATOM 0 HG11 VAL A 19 -3.599 -1.823 -8.684 1.00 72.41 H new ATOM 0 HG12 VAL A 19 -2.825 -2.741 -7.370 1.00 72.41 H new ATOM 0 HG13 VAL A 19 -4.365 -1.898 -7.080 1.00 72.41 H new ATOM 0 HG21 VAL A 19 -3.669 0.537 -8.708 1.00 13.21 H new ATOM 0 HG22 VAL A 19 -4.402 0.653 -7.090 1.00 13.21 H new ATOM 0 HG23 VAL A 19 -2.896 1.531 -7.450 1.00 13.21 H new ATOM 268 N VAL A 20 -2.088 -2.704 -4.614 1.00 25.43 N ATOM 269 CA VAL A 20 -1.498 -3.938 -4.120 1.00 73.25 C ATOM 270 C VAL A 20 -1.766 -5.029 -5.152 1.00 43.31 C ATOM 271 O VAL A 20 -2.855 -5.044 -5.730 1.00 22.45 O ATOM 272 CB VAL A 20 -2.173 -4.325 -2.788 1.00 74.43 C ATOM 273 CG1 VAL A 20 -1.444 -5.495 -2.128 1.00 41.13 C ATOM 274 CG2 VAL A 20 -2.227 -3.168 -1.791 1.00 75.35 C ATOM 0 H VAL A 20 -3.098 -2.682 -4.476 1.00 25.43 H new ATOM 0 HA VAL A 20 -0.427 -3.814 -3.959 1.00 73.25 H new ATOM 0 HB VAL A 20 -3.194 -4.607 -3.044 1.00 74.43 H new ATOM 0 HG11 VAL A 20 -1.938 -5.750 -1.191 1.00 41.13 H new ATOM 0 HG12 VAL A 20 -1.463 -6.358 -2.794 1.00 41.13 H new ATOM 0 HG13 VAL A 20 -0.410 -5.213 -1.928 1.00 41.13 H new ATOM 0 HG21 VAL A 20 -2.713 -3.501 -0.874 1.00 75.35 H new ATOM 0 HG22 VAL A 20 -1.214 -2.835 -1.565 1.00 75.35 H new ATOM 0 HG23 VAL A 20 -2.793 -2.342 -2.222 1.00 75.35 H new ATOM 284 N SER A 21 -0.859 -5.998 -5.313 1.00 74.44 N ATOM 285 CA SER A 21 -1.034 -7.082 -6.276 1.00 43.44 C ATOM 286 C SER A 21 -0.649 -8.423 -5.653 1.00 73.51 C ATOM 287 O SER A 21 0.151 -8.469 -4.717 1.00 42.30 O ATOM 288 CB SER A 21 -0.211 -6.807 -7.544 1.00 24.55 C ATOM 289 OG SER A 21 -0.059 -5.421 -7.806 1.00 53.43 O ATOM 0 H SER A 21 0.010 -6.050 -4.782 1.00 74.44 H new ATOM 0 HA SER A 21 -2.086 -7.132 -6.556 1.00 43.44 H new ATOM 0 HB2 SER A 21 0.773 -7.263 -7.440 1.00 24.55 H new ATOM 0 HB3 SER A 21 -0.695 -7.283 -8.397 1.00 24.55 H new ATOM 0 HG SER A 21 0.472 -5.298 -8.620 1.00 53.43 H new ATOM 294 N GLY A 22 -1.184 -9.523 -6.189 1.00 63.43 N ATOM 295 CA GLY A 22 -0.889 -10.890 -5.754 1.00 13.45 C ATOM 296 C GLY A 22 -1.829 -11.416 -4.668 1.00 74.23 C ATOM 297 O GLY A 22 -1.615 -12.513 -4.154 1.00 52.40 O ATOM 0 H GLY A 22 -1.853 -9.486 -6.958 1.00 63.43 H new ATOM 0 HA2 GLY A 22 -0.941 -11.554 -6.617 1.00 13.45 H new ATOM 0 HA3 GLY A 22 0.135 -10.929 -5.383 1.00 13.45 H new ATOM 301 N LEU A 23 -2.840 -10.630 -4.288 1.00 63.53 N ATOM 302 CA LEU A 23 -3.627 -10.824 -3.068 1.00 42.43 C ATOM 303 C LEU A 23 -4.317 -12.199 -2.996 1.00 2.04 C ATOM 304 O LEU A 23 -4.726 -12.704 -4.044 1.00 72.41 O ATOM 305 CB LEU A 23 -4.655 -9.688 -2.952 1.00 43.41 C ATOM 306 CG LEU A 23 -4.015 -8.389 -2.431 1.00 71.41 C ATOM 307 CD1 LEU A 23 -4.862 -7.191 -2.850 1.00 54.00 C ATOM 308 CD2 LEU A 23 -3.847 -8.418 -0.913 1.00 33.34 C ATOM 0 H LEU A 23 -3.141 -9.822 -4.833 1.00 63.53 H new ATOM 0 HA LEU A 23 -2.938 -10.799 -2.224 1.00 42.43 H new ATOM 0 HB2 LEU A 23 -5.106 -9.505 -3.927 1.00 43.41 H new ATOM 0 HB3 LEU A 23 -5.458 -9.992 -2.281 1.00 43.41 H new ATOM 0 HG LEU A 23 -3.021 -8.299 -2.870 1.00 71.41 H new ATOM 0 HD11 LEU A 23 -4.404 -6.274 -2.479 1.00 54.00 H new ATOM 0 HD12 LEU A 23 -4.923 -7.151 -3.938 1.00 54.00 H new ATOM 0 HD13 LEU A 23 -5.864 -7.291 -2.434 1.00 54.00 H new ATOM 0 HD21 LEU A 23 -3.392 -7.485 -0.579 1.00 33.34 H new ATOM 0 HD22 LEU A 23 -4.823 -8.535 -0.441 1.00 33.34 H new ATOM 0 HD23 LEU A 23 -3.206 -9.254 -0.634 1.00 33.34 H new ATOM 319 N PRO A 24 -4.476 -12.773 -1.786 1.00 54.00 N ATOM 320 CA PRO A 24 -5.100 -14.075 -1.523 1.00 73.10 C ATOM 321 C PRO A 24 -6.623 -14.061 -1.736 1.00 30.55 C ATOM 322 O PRO A 24 -7.226 -12.981 -1.718 1.00 74.22 O ATOM 323 CB PRO A 24 -4.792 -14.350 -0.042 1.00 73.30 C ATOM 324 CG PRO A 24 -4.761 -12.946 0.548 1.00 52.13 C ATOM 325 CD PRO A 24 -3.984 -12.233 -0.528 1.00 21.25 C ATOM 0 HA PRO A 24 -4.715 -14.833 -2.205 1.00 73.10 H new ATOM 0 HB2 PRO A 24 -5.557 -14.970 0.424 1.00 73.30 H new ATOM 0 HB3 PRO A 24 -3.841 -14.867 0.087 1.00 73.30 H new ATOM 0 HG2 PRO A 24 -5.759 -12.530 0.688 1.00 52.13 H new ATOM 0 HG3 PRO A 24 -4.262 -12.911 1.516 1.00 52.13 H new ATOM 0 HD2 PRO A 24 -4.140 -11.155 -0.476 1.00 21.25 H new ATOM 0 HD3 PRO A 24 -2.913 -12.406 -0.419 1.00 21.25 H new ATOM 330 N PRO A 25 -7.278 -15.239 -1.818 1.00 3.04 N ATOM 331 CA PRO A 25 -8.701 -15.355 -2.133 1.00 22.11 C ATOM 332 C PRO A 25 -9.642 -14.809 -1.057 1.00 52.00 C ATOM 333 O PRO A 25 -10.815 -14.579 -1.348 1.00 62.53 O ATOM 334 CB PRO A 25 -8.947 -16.843 -2.359 1.00 33.31 C ATOM 335 CG PRO A 25 -7.925 -17.496 -1.445 1.00 11.33 C ATOM 336 CD PRO A 25 -6.719 -16.575 -1.624 1.00 61.43 C ATOM 0 HA PRO A 25 -8.924 -14.743 -3.007 1.00 22.11 H new ATOM 0 HB2 PRO A 25 -9.966 -17.129 -2.096 1.00 33.31 H new ATOM 0 HB3 PRO A 25 -8.796 -17.124 -3.401 1.00 33.31 H new ATOM 0 HG2 PRO A 25 -8.264 -17.530 -0.410 1.00 11.33 H new ATOM 0 HG3 PRO A 25 -7.705 -18.521 -1.743 1.00 11.33 H new ATOM 0 HD2 PRO A 25 -6.068 -16.606 -0.750 1.00 61.43 H new ATOM 0 HD3 PRO A 25 -6.117 -16.878 -2.481 1.00 61.43 H new ATOM 341 N SER A 26 -9.151 -14.584 0.164 1.00 55.22 N ATOM 342 CA SER A 26 -9.915 -14.028 1.271 1.00 34.53 C ATOM 343 C SER A 26 -9.230 -12.756 1.797 1.00 73.20 C ATOM 344 O SER A 26 -9.461 -12.352 2.942 1.00 44.54 O ATOM 345 CB SER A 26 -10.139 -15.123 2.332 1.00 35.15 C ATOM 346 OG SER A 26 -11.487 -15.183 2.763 1.00 55.23 O ATOM 0 H SER A 26 -8.183 -14.791 0.411 1.00 55.22 H new ATOM 0 HA SER A 26 -10.906 -13.710 0.947 1.00 34.53 H new ATOM 0 HB2 SER A 26 -9.847 -16.090 1.921 1.00 35.15 H new ATOM 0 HB3 SER A 26 -9.493 -14.933 3.189 1.00 35.15 H new ATOM 0 HG SER A 26 -11.585 -15.891 3.433 1.00 55.23 H new ATOM 351 N GLY A 27 -8.405 -12.095 0.975 1.00 14.25 N ATOM 352 CA GLY A 27 -7.803 -10.806 1.288 1.00 55.01 C ATOM 353 C GLY A 27 -8.775 -9.687 1.013 1.00 74.24 C ATOM 354 O GLY A 27 -8.619 -8.959 0.031 1.00 52.10 O ATOM 0 H GLY A 27 -8.136 -12.453 0.059 1.00 14.25 H new ATOM 0 HA2 GLY A 27 -7.501 -10.784 2.335 1.00 55.01 H new ATOM 0 HA3 GLY A 27 -6.900 -10.666 0.693 1.00 55.01 H new ATOM 358 N SER A 28 -9.780 -9.578 1.878 1.00 15.31 N ATOM 359 CA SER A 28 -10.764 -8.522 1.807 1.00 4.42 C ATOM 360 C SER A 28 -10.147 -7.166 2.172 1.00 44.23 C ATOM 361 O SER A 28 -9.117 -7.104 2.849 1.00 0.34 O ATOM 362 CB SER A 28 -11.925 -8.849 2.757 1.00 0.11 C ATOM 363 OG SER A 28 -12.624 -10.016 2.361 1.00 72.13 O ATOM 0 H SER A 28 -9.928 -10.228 2.650 1.00 15.31 H new ATOM 0 HA SER A 28 -11.133 -8.455 0.784 1.00 4.42 H new ATOM 0 HB2 SER A 28 -11.539 -8.983 3.768 1.00 0.11 H new ATOM 0 HB3 SER A 28 -12.616 -8.006 2.789 1.00 0.11 H new ATOM 0 HG SER A 28 -13.353 -10.190 2.992 1.00 72.13 H new ATOM 368 N TRP A 29 -10.826 -6.067 1.815 1.00 61.20 N ATOM 369 CA TRP A 29 -10.386 -4.700 2.125 1.00 23.13 C ATOM 370 C TRP A 29 -10.303 -4.467 3.637 1.00 33.15 C ATOM 371 O TRP A 29 -9.643 -3.537 4.108 1.00 11.31 O ATOM 372 CB TRP A 29 -11.307 -3.673 1.449 1.00 62.00 C ATOM 373 CG TRP A 29 -12.775 -3.753 1.749 1.00 12.41 C ATOM 374 CD1 TRP A 29 -13.733 -4.160 0.886 1.00 62.40 C ATOM 375 CD2 TRP A 29 -13.484 -3.344 2.958 1.00 33.45 C ATOM 376 NE1 TRP A 29 -14.973 -4.064 1.485 1.00 44.31 N ATOM 377 CE2 TRP A 29 -14.880 -3.551 2.759 1.00 24.04 C ATOM 378 CE3 TRP A 29 -13.094 -2.791 4.197 1.00 74.24 C ATOM 379 CZ2 TRP A 29 -15.832 -3.222 3.736 1.00 20.25 C ATOM 380 CZ3 TRP A 29 -14.035 -2.520 5.205 1.00 11.21 C ATOM 381 CH2 TRP A 29 -15.403 -2.718 4.972 1.00 3.45 C ATOM 0 H TRP A 29 -11.705 -6.103 1.298 1.00 61.20 H new ATOM 0 HA TRP A 29 -9.380 -4.569 1.725 1.00 23.13 H new ATOM 0 HB2 TRP A 29 -10.961 -2.677 1.727 1.00 62.00 H new ATOM 0 HB3 TRP A 29 -11.179 -3.765 0.371 1.00 62.00 H new ATOM 0 HD1 TRP A 29 -13.555 -4.508 -0.121 1.00 62.40 H new ATOM 0 HE1 TRP A 29 -15.848 -4.339 1.039 1.00 44.31 H new ATOM 0 HE3 TRP A 29 -12.051 -2.572 4.374 1.00 74.24 H new ATOM 0 HZ2 TRP A 29 -16.885 -3.356 3.538 1.00 20.25 H new ATOM 0 HZ3 TRP A 29 -13.702 -2.157 6.166 1.00 11.21 H new ATOM 0 HH2 TRP A 29 -16.124 -2.483 5.741 1.00 3.45 H new ATOM 391 N GLN A 30 -10.987 -5.309 4.412 1.00 44.22 N ATOM 392 CA GLN A 30 -10.954 -5.292 5.853 1.00 33.41 C ATOM 393 C GLN A 30 -9.540 -5.609 6.331 1.00 52.12 C ATOM 394 O GLN A 30 -8.952 -4.731 6.967 1.00 14.52 O ATOM 395 CB GLN A 30 -12.047 -6.229 6.404 1.00 62.02 C ATOM 396 CG GLN A 30 -12.874 -5.589 7.526 1.00 60.12 C ATOM 397 CD GLN A 30 -12.164 -5.593 8.872 1.00 53.50 C ATOM 398 OE1 GLN A 30 -12.559 -6.307 9.787 1.00 74.03 O ATOM 399 NE2 GLN A 30 -11.114 -4.795 9.045 1.00 4.10 N ATOM 0 H GLN A 30 -11.592 -6.037 4.033 1.00 44.22 H new ATOM 0 HA GLN A 30 -11.187 -4.303 6.246 1.00 33.41 H new ATOM 0 HB2 GLN A 30 -12.712 -6.521 5.591 1.00 62.02 H new ATOM 0 HB3 GLN A 30 -11.582 -7.141 6.778 1.00 62.02 H new ATOM 0 HG2 GLN A 30 -13.113 -4.561 7.252 1.00 60.12 H new ATOM 0 HG3 GLN A 30 -13.820 -6.122 7.620 1.00 60.12 H new ATOM 0 HE21 GLN A 30 -10.791 -4.204 8.279 1.00 4.10 H new ATOM 0 HE22 GLN A 30 -10.632 -4.774 9.944 1.00 4.10 H new ATOM 406 N ASP A 31 -8.997 -6.790 6.000 1.00 54.42 N ATOM 407 CA ASP A 31 -7.630 -7.159 6.388 1.00 23.25 C ATOM 408 C ASP A 31 -6.639 -6.227 5.708 1.00 42.33 C ATOM 409 O ASP A 31 -5.711 -5.742 6.342 1.00 23.44 O ATOM 410 CB ASP A 31 -7.260 -8.622 6.062 1.00 40.54 C ATOM 411 CG ASP A 31 -6.327 -9.150 7.159 1.00 35.41 C ATOM 412 OD1 ASP A 31 -5.158 -8.721 7.243 1.00 52.34 O ATOM 413 OD2 ASP A 31 -6.846 -9.889 8.030 1.00 40.14 O ATOM 0 H ASP A 31 -9.486 -7.506 5.463 1.00 54.42 H new ATOM 0 HA ASP A 31 -7.583 -7.061 7.473 1.00 23.25 H new ATOM 0 HB2 ASP A 31 -8.159 -9.235 6.004 1.00 40.54 H new ATOM 0 HB3 ASP A 31 -6.771 -8.680 5.090 1.00 40.54 H new ATOM 417 N LEU A 32 -6.888 -5.884 4.437 1.00 43.23 N ATOM 418 CA LEU A 32 -6.032 -4.985 3.668 1.00 1.44 C ATOM 419 C LEU A 32 -5.744 -3.706 4.451 1.00 64.11 C ATOM 420 O LEU A 32 -4.586 -3.320 4.554 1.00 15.54 O ATOM 421 CB LEU A 32 -6.664 -4.667 2.307 1.00 21.23 C ATOM 422 CG LEU A 32 -5.706 -4.378 1.134 1.00 33.25 C ATOM 423 CD1 LEU A 32 -4.781 -3.183 1.372 1.00 64.51 C ATOM 424 CD2 LEU A 32 -4.860 -5.596 0.781 1.00 21.13 C ATOM 0 H LEU A 32 -7.694 -6.227 3.915 1.00 43.23 H new ATOM 0 HA LEU A 32 -5.082 -5.489 3.490 1.00 1.44 H new ATOM 0 HB2 LEU A 32 -7.299 -5.507 2.025 1.00 21.23 H new ATOM 0 HB3 LEU A 32 -7.316 -3.802 2.431 1.00 21.23 H new ATOM 0 HG LEU A 32 -6.362 -4.128 0.300 1.00 33.25 H new ATOM 0 HD11 LEU A 32 -4.137 -3.043 0.504 1.00 64.51 H new ATOM 0 HD12 LEU A 32 -5.379 -2.286 1.529 1.00 64.51 H new ATOM 0 HD13 LEU A 32 -4.166 -3.368 2.253 1.00 64.51 H new ATOM 0 HD21 LEU A 32 -4.199 -5.351 -0.050 1.00 21.13 H new ATOM 0 HD22 LEU A 32 -4.264 -5.888 1.646 1.00 21.13 H new ATOM 0 HD23 LEU A 32 -5.512 -6.421 0.495 1.00 21.13 H new ATOM 435 N LYS A 33 -6.766 -3.055 5.016 1.00 35.11 N ATOM 436 CA LYS A 33 -6.558 -1.834 5.789 1.00 75.23 C ATOM 437 C LYS A 33 -5.800 -2.133 7.084 1.00 21.00 C ATOM 438 O LYS A 33 -4.881 -1.400 7.446 1.00 13.21 O ATOM 439 CB LYS A 33 -7.905 -1.149 6.074 1.00 44.35 C ATOM 440 CG LYS A 33 -7.728 0.374 6.226 1.00 40.52 C ATOM 441 CD LYS A 33 -9.078 1.097 6.354 1.00 63.22 C ATOM 442 CE LYS A 33 -8.954 2.614 6.147 1.00 34.04 C ATOM 443 NZ LYS A 33 -8.418 3.328 7.325 1.00 35.31 N ATOM 0 H LYS A 33 -7.739 -3.354 4.951 1.00 35.11 H new ATOM 0 HA LYS A 33 -5.947 -1.149 5.202 1.00 75.23 H new ATOM 0 HB2 LYS A 33 -8.603 -1.359 5.263 1.00 44.35 H new ATOM 0 HB3 LYS A 33 -8.341 -1.561 6.984 1.00 44.35 H new ATOM 0 HG2 LYS A 33 -7.119 0.583 7.106 1.00 40.52 H new ATOM 0 HG3 LYS A 33 -7.187 0.765 5.364 1.00 40.52 H new ATOM 0 HD2 LYS A 33 -9.776 0.689 5.622 1.00 63.22 H new ATOM 0 HD3 LYS A 33 -9.499 0.901 7.340 1.00 63.22 H new ATOM 0 HE2 LYS A 33 -8.306 2.804 5.291 1.00 34.04 H new ATOM 0 HE3 LYS A 33 -9.935 3.021 5.901 1.00 34.04 H new ATOM 0 HZ1 LYS A 33 -8.360 4.346 7.118 1.00 35.31 H new ATOM 0 HZ2 LYS A 33 -9.047 3.176 8.139 1.00 35.31 H new ATOM 0 HZ3 LYS A 33 -7.469 2.966 7.548 1.00 35.31 H new ATOM 453 N ASP A 34 -6.188 -3.203 7.779 1.00 43.55 N ATOM 454 CA ASP A 34 -5.632 -3.605 9.076 1.00 3.40 C ATOM 455 C ASP A 34 -4.190 -4.107 8.965 1.00 23.31 C ATOM 456 O ASP A 34 -3.488 -4.206 9.971 1.00 63.22 O ATOM 457 CB ASP A 34 -6.519 -4.693 9.694 1.00 24.30 C ATOM 458 CG ASP A 34 -6.661 -4.528 11.212 1.00 44.35 C ATOM 459 OD1 ASP A 34 -7.327 -3.555 11.631 1.00 43.34 O ATOM 460 OD2 ASP A 34 -6.160 -5.380 11.990 1.00 2.40 O ATOM 0 H ASP A 34 -6.918 -3.833 7.448 1.00 43.55 H new ATOM 0 HA ASP A 34 -5.614 -2.723 9.716 1.00 3.40 H new ATOM 0 HB2 ASP A 34 -7.506 -4.661 9.232 1.00 24.30 H new ATOM 0 HB3 ASP A 34 -6.096 -5.673 9.474 1.00 24.30 H new ATOM 464 N HIS A 35 -3.728 -4.371 7.743 1.00 53.51 N ATOM 465 CA HIS A 35 -2.379 -4.818 7.441 1.00 0.53 C ATOM 466 C HIS A 35 -1.547 -3.738 6.752 1.00 75.43 C ATOM 467 O HIS A 35 -0.384 -3.536 7.106 1.00 1.40 O ATOM 468 CB HIS A 35 -2.444 -6.062 6.548 1.00 31.31 C ATOM 469 CG HIS A 35 -1.141 -6.812 6.491 1.00 54.05 C ATOM 470 ND1 HIS A 35 -0.059 -6.507 5.696 1.00 23.53 N ATOM 471 CD2 HIS A 35 -0.813 -7.900 7.247 1.00 64.35 C ATOM 472 CE1 HIS A 35 0.910 -7.393 5.970 1.00 4.30 C ATOM 473 NE2 HIS A 35 0.498 -8.268 6.910 1.00 31.33 N ATOM 0 H HIS A 35 -4.308 -4.274 6.910 1.00 53.51 H new ATOM 0 HA HIS A 35 -1.891 -5.051 8.387 1.00 0.53 H new ATOM 0 HB2 HIS A 35 -3.224 -6.727 6.917 1.00 31.31 H new ATOM 0 HB3 HIS A 35 -2.730 -5.764 5.539 1.00 31.31 H new ATOM 0 HD2 HIS A 35 -1.447 -8.388 7.972 1.00 64.35 H new ATOM 0 HE1 HIS A 35 1.884 -7.404 5.503 1.00 4.30 H new ATOM 0 HE2 HIS A 35 1.034 -9.044 7.299 1.00 31.33 H new ATOM 480 N MET A 36 -2.094 -3.016 5.769 1.00 61.14 N ATOM 481 CA MET A 36 -1.355 -2.002 5.016 1.00 24.32 C ATOM 482 C MET A 36 -1.210 -0.708 5.824 1.00 42.22 C ATOM 483 O MET A 36 -1.351 0.377 5.268 1.00 60.35 O ATOM 484 CB MET A 36 -2.027 -1.792 3.647 1.00 24.34 C ATOM 485 CG MET A 36 -1.144 -0.991 2.683 1.00 54.14 C ATOM 486 SD MET A 36 -1.315 -1.501 0.962 1.00 23.53 S ATOM 487 CE MET A 36 0.025 -0.557 0.195 1.00 3.42 C ATOM 0 H MET A 36 -3.065 -3.120 5.474 1.00 61.14 H new ATOM 0 HA MET A 36 -0.338 -2.348 4.833 1.00 24.32 H new ATOM 0 HB2 MET A 36 -2.257 -2.761 3.205 1.00 24.34 H new ATOM 0 HB3 MET A 36 -2.975 -1.272 3.786 1.00 24.34 H new ATOM 0 HG2 MET A 36 -1.394 0.067 2.767 1.00 54.14 H new ATOM 0 HG3 MET A 36 -0.102 -1.097 2.984 1.00 54.14 H new ATOM 0 HE1 MET A 36 0.238 -0.965 -0.793 1.00 3.42 H new ATOM 0 HE2 MET A 36 -0.273 0.487 0.100 1.00 3.42 H new ATOM 0 HE3 MET A 36 0.919 -0.624 0.816 1.00 3.42 H new ATOM 495 N ARG A 37 -0.903 -0.760 7.122 1.00 2.14 N ATOM 496 CA ARG A 37 -0.745 0.434 7.958 1.00 41.24 C ATOM 497 C ARG A 37 0.683 0.631 8.471 1.00 21.34 C ATOM 498 O ARG A 37 0.948 1.687 9.040 1.00 32.43 O ATOM 499 CB ARG A 37 -1.809 0.453 9.065 1.00 0.13 C ATOM 500 CG ARG A 37 -1.666 -0.662 10.117 1.00 14.53 C ATOM 501 CD ARG A 37 -3.010 -1.285 10.472 1.00 44.42 C ATOM 502 NE ARG A 37 -3.976 -0.293 10.970 1.00 64.12 N ATOM 503 CZ ARG A 37 -4.275 0.013 12.236 1.00 42.12 C ATOM 504 NH1 ARG A 37 -3.815 -0.703 13.257 1.00 11.50 N ATOM 505 NH2 ARG A 37 -5.047 1.069 12.456 1.00 41.12 N ATOM 0 H ARG A 37 -0.756 -1.635 7.626 1.00 2.14 H new ATOM 0 HA ARG A 37 -0.917 1.307 7.328 1.00 41.24 H new ATOM 0 HB2 ARG A 37 -1.770 1.418 9.571 1.00 0.13 H new ATOM 0 HB3 ARG A 37 -2.794 0.375 8.604 1.00 0.13 H new ATOM 0 HG2 ARG A 37 -0.997 -1.434 9.738 1.00 14.53 H new ATOM 0 HG3 ARG A 37 -1.206 -0.255 11.017 1.00 14.53 H new ATOM 0 HD2 ARG A 37 -3.422 -1.779 9.592 1.00 44.42 H new ATOM 0 HD3 ARG A 37 -2.861 -2.055 11.229 1.00 44.42 H new ATOM 0 HE ARG A 37 -4.484 0.229 10.256 1.00 64.12 H new ATOM 0 HH11 ARG A 37 -3.216 -1.511 13.085 1.00 11.50 H new ATOM 0 HH12 ARG A 37 -4.061 -0.445 14.213 1.00 11.50 H new ATOM 0 HH21 ARG A 37 -5.393 1.620 11.671 1.00 41.12 H new ATOM 0 HH22 ARG A 37 -5.294 1.330 13.411 1.00 41.12 H new ATOM 516 N GLU A 38 1.622 -0.297 8.245 1.00 52.14 N ATOM 517 CA GLU A 38 2.958 -0.211 8.854 1.00 60.43 C ATOM 518 C GLU A 38 3.767 1.023 8.409 1.00 24.51 C ATOM 519 O GLU A 38 4.683 1.444 9.115 1.00 13.04 O ATOM 520 CB GLU A 38 3.775 -1.502 8.619 1.00 54.32 C ATOM 521 CG GLU A 38 4.606 -1.875 9.864 1.00 54.05 C ATOM 522 CD GLU A 38 5.558 -3.074 9.689 1.00 34.43 C ATOM 523 OE1 GLU A 38 5.514 -3.803 8.675 1.00 15.00 O ATOM 524 OE2 GLU A 38 6.360 -3.368 10.608 1.00 72.33 O ATOM 0 H GLU A 38 1.484 -1.113 7.648 1.00 52.14 H new ATOM 0 HA GLU A 38 2.777 -0.095 9.923 1.00 60.43 H new ATOM 0 HB2 GLU A 38 3.100 -2.321 8.371 1.00 54.32 H new ATOM 0 HB3 GLU A 38 4.438 -1.365 7.765 1.00 54.32 H new ATOM 0 HG2 GLU A 38 5.194 -1.006 10.161 1.00 54.05 H new ATOM 0 HG3 GLU A 38 3.922 -2.093 10.684 1.00 54.05 H new ATOM 529 N ALA A 39 3.440 1.603 7.253 1.00 71.15 N ATOM 530 CA ALA A 39 4.227 2.649 6.597 1.00 63.24 C ATOM 531 C ALA A 39 3.970 4.076 7.110 1.00 0.21 C ATOM 532 O ALA A 39 4.645 5.002 6.650 1.00 74.35 O ATOM 533 CB ALA A 39 3.946 2.595 5.090 1.00 42.02 C ATOM 0 H ALA A 39 2.599 1.352 6.734 1.00 71.15 H new ATOM 0 HA ALA A 39 5.270 2.440 6.833 1.00 63.24 H new ATOM 0 HB1 ALA A 39 4.524 3.368 4.584 1.00 42.02 H new ATOM 0 HB2 ALA A 39 4.230 1.617 4.702 1.00 42.02 H new ATOM 0 HB3 ALA A 39 2.884 2.762 4.912 1.00 42.02 H new ATOM 539 N GLY A 40 3.004 4.290 8.007 1.00 41.13 N ATOM 540 CA GLY A 40 2.574 5.622 8.407 1.00 11.34 C ATOM 541 C GLY A 40 1.074 5.657 8.667 1.00 44.14 C ATOM 542 O GLY A 40 0.660 5.259 9.756 1.00 11.21 O ATOM 0 H GLY A 40 2.499 3.537 8.475 1.00 41.13 H new ATOM 0 HA2 GLY A 40 3.110 5.926 9.306 1.00 11.34 H new ATOM 0 HA3 GLY A 40 2.828 6.340 7.627 1.00 11.34 H new ATOM 546 N ASP A 41 0.267 6.117 7.702 1.00 63.25 N ATOM 547 CA ASP A 41 -1.191 6.130 7.823 1.00 1.33 C ATOM 548 C ASP A 41 -1.885 5.961 6.469 1.00 13.43 C ATOM 549 O ASP A 41 -1.407 6.465 5.445 1.00 40.53 O ATOM 550 CB ASP A 41 -1.664 7.454 8.453 1.00 71.43 C ATOM 551 CG ASP A 41 -2.139 7.316 9.895 1.00 42.45 C ATOM 552 OD1 ASP A 41 -2.751 6.291 10.261 1.00 12.11 O ATOM 553 OD2 ASP A 41 -1.993 8.314 10.640 1.00 2.34 O ATOM 0 H ASP A 41 0.610 6.490 6.817 1.00 63.25 H new ATOM 0 HA ASP A 41 -1.460 5.287 8.459 1.00 1.33 H new ATOM 0 HB2 ASP A 41 -0.847 8.175 8.417 1.00 71.43 H new ATOM 0 HB3 ASP A 41 -2.476 7.862 7.851 1.00 71.43 H new ATOM 557 N VAL A 42 -3.075 5.348 6.486 1.00 33.00 N ATOM 558 CA VAL A 42 -3.939 5.125 5.327 1.00 21.42 C ATOM 559 C VAL A 42 -5.363 5.583 5.655 1.00 20.21 C ATOM 560 O VAL A 42 -5.812 5.469 6.794 1.00 52.11 O ATOM 561 CB VAL A 42 -3.897 3.633 4.947 1.00 22.22 C ATOM 562 CG1 VAL A 42 -4.826 3.292 3.774 1.00 72.24 C ATOM 563 CG2 VAL A 42 -2.479 3.210 4.559 1.00 32.22 C ATOM 0 H VAL A 42 -3.477 4.979 7.348 1.00 33.00 H new ATOM 0 HA VAL A 42 -3.589 5.706 4.474 1.00 21.42 H new ATOM 0 HB VAL A 42 -4.235 3.094 5.832 1.00 22.22 H new ATOM 0 HG11 VAL A 42 -4.755 2.227 3.551 1.00 72.24 H new ATOM 0 HG12 VAL A 42 -5.854 3.539 4.040 1.00 72.24 H new ATOM 0 HG13 VAL A 42 -4.530 3.867 2.897 1.00 72.24 H new ATOM 0 HG21 VAL A 42 -2.474 2.153 4.295 1.00 32.22 H new ATOM 0 HG22 VAL A 42 -2.144 3.799 3.705 1.00 32.22 H new ATOM 0 HG23 VAL A 42 -1.807 3.377 5.400 1.00 32.22 H new ATOM 573 N CYS A 43 -6.099 6.070 4.647 1.00 40.53 N ATOM 574 CA CYS A 43 -7.387 6.730 4.835 1.00 31.11 C ATOM 575 C CYS A 43 -8.481 6.152 3.913 1.00 63.45 C ATOM 576 O CYS A 43 -9.576 6.713 3.825 1.00 53.43 O ATOM 577 CB CYS A 43 -7.160 8.241 4.653 1.00 60.24 C ATOM 578 SG CYS A 43 -8.404 9.233 5.527 1.00 64.44 S ATOM 0 H CYS A 43 -5.809 6.014 3.671 1.00 40.53 H new ATOM 0 HA CYS A 43 -7.769 6.546 5.839 1.00 31.11 H new ATOM 0 HB2 CYS A 43 -6.167 8.504 5.018 1.00 60.24 H new ATOM 0 HB3 CYS A 43 -7.184 8.485 3.591 1.00 60.24 H new ATOM 0 HG CYS A 43 -8.161 10.496 5.340 1.00 64.44 H new ATOM 583 N TYR A 44 -8.220 5.054 3.195 1.00 72.45 N ATOM 584 CA TYR A 44 -9.150 4.397 2.273 1.00 32.00 C ATOM 585 C TYR A 44 -8.773 2.916 2.163 1.00 23.41 C ATOM 586 O TYR A 44 -7.655 2.558 2.524 1.00 61.31 O ATOM 587 CB TYR A 44 -9.020 5.081 0.908 1.00 24.00 C ATOM 588 CG TYR A 44 -9.923 4.541 -0.180 1.00 64.44 C ATOM 589 CD1 TYR A 44 -11.273 4.930 -0.246 1.00 35.41 C ATOM 590 CD2 TYR A 44 -9.405 3.641 -1.128 1.00 23.34 C ATOM 591 CE1 TYR A 44 -12.104 4.421 -1.260 1.00 60.32 C ATOM 592 CE2 TYR A 44 -10.225 3.122 -2.140 1.00 11.11 C ATOM 593 CZ TYR A 44 -11.582 3.514 -2.215 1.00 3.21 C ATOM 594 OH TYR A 44 -12.382 3.023 -3.201 1.00 74.12 O ATOM 0 H TYR A 44 -7.318 4.580 3.243 1.00 72.45 H new ATOM 0 HA TYR A 44 -10.178 4.473 2.628 1.00 32.00 H new ATOM 0 HB2 TYR A 44 -9.226 6.144 1.033 1.00 24.00 H new ATOM 0 HB3 TYR A 44 -7.986 4.994 0.574 1.00 24.00 H new ATOM 0 HD1 TYR A 44 -11.672 5.620 0.483 1.00 35.41 H new ATOM 0 HD2 TYR A 44 -8.367 3.347 -1.076 1.00 23.34 H new ATOM 0 HE1 TYR A 44 -13.140 4.722 -1.311 1.00 60.32 H new ATOM 0 HE2 TYR A 44 -9.822 2.425 -2.860 1.00 11.11 H new ATOM 0 HH TYR A 44 -11.865 2.415 -3.770 1.00 74.12 H new ATOM 603 N ALA A 45 -9.666 2.054 1.664 1.00 53.12 N ATOM 604 CA ALA A 45 -9.387 0.642 1.424 1.00 73.01 C ATOM 605 C ALA A 45 -10.431 0.069 0.463 1.00 60.43 C ATOM 606 O ALA A 45 -11.625 0.247 0.711 1.00 20.14 O ATOM 607 CB ALA A 45 -9.440 -0.109 2.762 1.00 54.25 C ATOM 0 H ALA A 45 -10.616 2.327 1.413 1.00 53.12 H new ATOM 0 HA ALA A 45 -8.398 0.529 0.980 1.00 73.01 H new ATOM 0 HB1 ALA A 45 -9.233 -1.166 2.594 1.00 54.25 H new ATOM 0 HB2 ALA A 45 -8.694 0.304 3.441 1.00 54.25 H new ATOM 0 HB3 ALA A 45 -10.431 0.001 3.202 1.00 54.25 H new ATOM 613 N ASP A 46 -10.026 -0.622 -0.603 1.00 61.04 N ATOM 614 CA ASP A 46 -10.933 -1.296 -1.533 1.00 51.11 C ATOM 615 C ASP A 46 -10.230 -2.445 -2.255 1.00 53.52 C ATOM 616 O ASP A 46 -9.148 -2.270 -2.811 1.00 4.01 O ATOM 617 CB ASP A 46 -11.439 -0.283 -2.564 1.00 22.31 C ATOM 618 CG ASP A 46 -12.493 -0.895 -3.484 1.00 51.50 C ATOM 619 OD1 ASP A 46 -13.379 -1.607 -2.956 1.00 72.14 O ATOM 620 OD2 ASP A 46 -12.450 -0.609 -4.703 1.00 11.33 O ATOM 0 H ASP A 46 -9.042 -0.731 -0.849 1.00 61.04 H new ATOM 0 HA ASP A 46 -11.767 -1.708 -0.965 1.00 51.11 H new ATOM 0 HB2 ASP A 46 -11.861 0.580 -2.050 1.00 22.31 H new ATOM 0 HB3 ASP A 46 -10.601 0.079 -3.160 1.00 22.31 H new ATOM 624 N VAL A 47 -10.803 -3.642 -2.257 1.00 13.15 N ATOM 625 CA VAL A 47 -10.308 -4.787 -2.986 1.00 3.03 C ATOM 626 C VAL A 47 -11.475 -5.365 -3.772 1.00 4.53 C ATOM 627 O VAL A 47 -12.634 -4.976 -3.602 1.00 34.02 O ATOM 628 CB VAL A 47 -9.730 -5.836 -2.018 1.00 63.53 C ATOM 629 CG1 VAL A 47 -8.613 -5.318 -1.094 1.00 71.33 C ATOM 630 CG2 VAL A 47 -10.837 -6.560 -1.271 1.00 62.44 C ATOM 0 H VAL A 47 -11.654 -3.842 -1.731 1.00 13.15 H new ATOM 0 HA VAL A 47 -9.504 -4.493 -3.661 1.00 3.03 H new ATOM 0 HB VAL A 47 -9.219 -6.567 -2.644 1.00 63.53 H new ATOM 0 HG11 VAL A 47 -8.269 -6.127 -0.450 1.00 71.33 H new ATOM 0 HG12 VAL A 47 -7.780 -4.956 -1.697 1.00 71.33 H new ATOM 0 HG13 VAL A 47 -8.997 -4.503 -0.480 1.00 71.33 H new ATOM 0 HG21 VAL A 47 -10.400 -7.295 -0.595 1.00 62.44 H new ATOM 0 HG22 VAL A 47 -11.420 -5.840 -0.697 1.00 62.44 H new ATOM 0 HG23 VAL A 47 -11.487 -7.066 -1.985 1.00 62.44 H new ATOM 640 N TYR A 48 -11.170 -6.395 -4.540 1.00 60.22 N ATOM 641 CA TYR A 48 -12.137 -7.249 -5.178 1.00 61.53 C ATOM 642 C TYR A 48 -11.525 -8.646 -5.261 1.00 54.13 C ATOM 643 O TYR A 48 -10.310 -8.808 -5.122 1.00 35.24 O ATOM 644 CB TYR A 48 -12.478 -6.629 -6.539 1.00 63.33 C ATOM 645 CG TYR A 48 -11.301 -5.949 -7.226 1.00 31.25 C ATOM 646 CD1 TYR A 48 -10.125 -6.657 -7.564 1.00 12.22 C ATOM 647 CD2 TYR A 48 -11.333 -4.549 -7.364 1.00 21.21 C ATOM 648 CE1 TYR A 48 -9.023 -5.969 -8.113 1.00 63.12 C ATOM 649 CE2 TYR A 48 -10.212 -3.858 -7.837 1.00 53.33 C ATOM 650 CZ TYR A 48 -9.061 -4.559 -8.245 1.00 52.23 C ATOM 651 OH TYR A 48 -8.013 -3.841 -8.738 1.00 10.24 O ATOM 0 H TYR A 48 -10.206 -6.664 -4.739 1.00 60.22 H new ATOM 0 HA TYR A 48 -13.074 -7.340 -4.629 1.00 61.53 H new ATOM 0 HB2 TYR A 48 -12.866 -7.409 -7.194 1.00 63.33 H new ATOM 0 HB3 TYR A 48 -13.277 -5.900 -6.404 1.00 63.33 H new ATOM 0 HD1 TYR A 48 -10.071 -7.723 -7.402 1.00 12.22 H new ATOM 0 HD2 TYR A 48 -12.228 -4.004 -7.103 1.00 21.21 H new ATOM 0 HE1 TYR A 48 -8.149 -6.518 -8.433 1.00 63.12 H new ATOM 0 HE2 TYR A 48 -10.230 -2.779 -7.890 1.00 53.33 H new ATOM 0 HH TYR A 48 -8.244 -2.889 -8.746 1.00 10.24 H new ATOM 660 N ARG A 49 -12.395 -9.634 -5.452 1.00 54.10 N ATOM 661 CA ARG A 49 -12.229 -11.007 -5.909 1.00 35.45 C ATOM 662 C ARG A 49 -11.019 -11.672 -5.288 1.00 11.34 C ATOM 663 O ARG A 49 -11.124 -12.234 -4.202 1.00 34.14 O ATOM 664 CB ARG A 49 -12.320 -11.116 -7.439 1.00 61.50 C ATOM 665 CG ARG A 49 -11.622 -9.987 -8.203 1.00 12.11 C ATOM 666 CD ARG A 49 -11.612 -10.314 -9.688 1.00 45.04 C ATOM 667 NE ARG A 49 -11.076 -9.206 -10.486 1.00 34.14 N ATOM 668 CZ ARG A 49 -10.950 -9.234 -11.810 1.00 72.21 C ATOM 669 NH1 ARG A 49 -11.409 -10.267 -12.508 1.00 61.12 N ATOM 670 NH2 ARG A 49 -10.356 -8.239 -12.448 1.00 4.11 N ATOM 0 H ARG A 49 -13.381 -9.458 -5.259 1.00 54.10 H new ATOM 0 HA ARG A 49 -13.074 -11.590 -5.542 1.00 35.45 H new ATOM 0 HB2 ARG A 49 -11.887 -12.067 -7.748 1.00 61.50 H new ATOM 0 HB3 ARG A 49 -13.371 -11.135 -7.727 1.00 61.50 H new ATOM 0 HG2 ARG A 49 -12.138 -9.043 -8.031 1.00 12.11 H new ATOM 0 HG3 ARG A 49 -10.602 -9.863 -7.840 1.00 12.11 H new ATOM 0 HD2 ARG A 49 -11.013 -11.208 -9.859 1.00 45.04 H new ATOM 0 HD3 ARG A 49 -12.626 -10.542 -10.017 1.00 45.04 H new ATOM 0 HE ARG A 49 -10.782 -8.362 -9.995 1.00 34.14 H new ATOM 0 HH11 ARG A 49 -11.862 -11.046 -12.029 1.00 61.12 H new ATOM 0 HH12 ARG A 49 -11.309 -10.282 -13.523 1.00 61.12 H new ATOM 0 HH21 ARG A 49 -9.991 -7.443 -11.925 1.00 4.11 H new ATOM 0 HH22 ARG A 49 -10.263 -8.268 -13.463 1.00 4.11 H new ATOM 681 N ASP A 50 -9.879 -11.479 -5.934 1.00 51.34 N ATOM 682 CA ASP A 50 -8.547 -11.491 -5.399 1.00 22.31 C ATOM 683 C ASP A 50 -7.572 -10.878 -6.399 1.00 44.02 C ATOM 684 O ASP A 50 -7.960 -10.397 -7.472 1.00 71.12 O ATOM 685 CB ASP A 50 -8.123 -12.897 -4.948 1.00 25.45 C ATOM 686 CG ASP A 50 -7.693 -13.932 -6.004 1.00 62.20 C ATOM 687 OD1 ASP A 50 -6.903 -13.601 -6.916 1.00 25.42 O ATOM 688 OD2 ASP A 50 -8.004 -15.132 -5.812 1.00 50.22 O ATOM 0 H ASP A 50 -9.875 -11.294 -6.937 1.00 51.34 H new ATOM 0 HA ASP A 50 -8.532 -10.874 -4.501 1.00 22.31 H new ATOM 0 HB2 ASP A 50 -7.295 -12.780 -4.248 1.00 25.45 H new ATOM 0 HB3 ASP A 50 -8.955 -13.326 -4.389 1.00 25.45 H new ATOM 692 N GLY A 51 -6.292 -10.873 -6.025 1.00 32.54 N ATOM 693 CA GLY A 51 -5.186 -10.701 -6.944 1.00 74.10 C ATOM 694 C GLY A 51 -4.773 -9.258 -7.160 1.00 53.32 C ATOM 695 O GLY A 51 -3.628 -9.040 -7.565 1.00 11.14 O ATOM 0 H GLY A 51 -5.998 -10.991 -5.055 1.00 32.54 H new ATOM 0 HA2 GLY A 51 -4.328 -11.260 -6.571 1.00 74.10 H new ATOM 0 HA3 GLY A 51 -5.457 -11.137 -7.906 1.00 74.10 H new ATOM 699 N THR A 52 -5.625 -8.272 -6.893 1.00 73.43 N ATOM 700 CA THR A 52 -5.251 -6.861 -6.844 1.00 21.42 C ATOM 701 C THR A 52 -6.223 -6.131 -5.894 1.00 63.43 C ATOM 702 O THR A 52 -7.250 -6.695 -5.511 1.00 4.31 O ATOM 703 CB THR A 52 -5.182 -6.239 -8.267 1.00 73.20 C ATOM 704 OG1 THR A 52 -5.726 -7.069 -9.287 1.00 61.20 O ATOM 705 CG2 THR A 52 -3.759 -5.921 -8.748 1.00 2.25 C ATOM 0 H THR A 52 -6.614 -8.434 -6.701 1.00 73.43 H new ATOM 0 HA THR A 52 -4.243 -6.750 -6.445 1.00 21.42 H new ATOM 0 HB THR A 52 -5.768 -5.330 -8.133 1.00 73.20 H new ATOM 0 HG1 THR A 52 -5.651 -6.616 -10.153 1.00 61.20 H new ATOM 0 HG21 THR A 52 -3.801 -5.491 -9.749 1.00 2.25 H new ATOM 0 HG22 THR A 52 -3.295 -5.209 -8.066 1.00 2.25 H new ATOM 0 HG23 THR A 52 -3.170 -6.838 -8.772 1.00 2.25 H new ATOM 713 N GLY A 53 -5.882 -4.914 -5.465 1.00 5.42 N ATOM 714 CA GLY A 53 -6.659 -4.090 -4.543 1.00 63.44 C ATOM 715 C GLY A 53 -6.115 -2.665 -4.618 1.00 72.14 C ATOM 716 O GLY A 53 -4.903 -2.497 -4.757 1.00 52.30 O ATOM 0 H GLY A 53 -5.020 -4.459 -5.765 1.00 5.42 H new ATOM 0 HA2 GLY A 53 -7.715 -4.110 -4.810 1.00 63.44 H new ATOM 0 HA3 GLY A 53 -6.580 -4.476 -3.527 1.00 63.44 H new ATOM 720 N VAL A 54 -6.971 -1.647 -4.530 1.00 35.14 N ATOM 721 CA VAL A 54 -6.600 -0.239 -4.642 1.00 0.45 C ATOM 722 C VAL A 54 -6.692 0.428 -3.263 1.00 62.44 C ATOM 723 O VAL A 54 -7.506 0.039 -2.424 1.00 75.53 O ATOM 724 CB VAL A 54 -7.427 0.411 -5.772 1.00 42.21 C ATOM 725 CG1 VAL A 54 -8.944 0.415 -5.535 1.00 40.12 C ATOM 726 CG2 VAL A 54 -6.956 1.844 -6.048 1.00 53.33 C ATOM 0 H VAL A 54 -7.970 -1.785 -4.374 1.00 35.14 H new ATOM 0 HA VAL A 54 -5.560 -0.106 -4.940 1.00 0.45 H new ATOM 0 HB VAL A 54 -7.249 -0.223 -6.640 1.00 42.21 H new ATOM 0 HG11 VAL A 54 -9.443 0.891 -6.379 1.00 40.12 H new ATOM 0 HG12 VAL A 54 -9.299 -0.611 -5.435 1.00 40.12 H new ATOM 0 HG13 VAL A 54 -9.168 0.968 -4.623 1.00 40.12 H new ATOM 0 HG21 VAL A 54 -7.556 2.277 -6.848 1.00 53.33 H new ATOM 0 HG22 VAL A 54 -7.068 2.444 -5.145 1.00 53.33 H new ATOM 0 HG23 VAL A 54 -5.908 1.831 -6.347 1.00 53.33 H new ATOM 736 N VAL A 55 -5.807 1.375 -2.961 1.00 63.32 N ATOM 737 CA VAL A 55 -5.702 1.992 -1.646 1.00 71.54 C ATOM 738 C VAL A 55 -5.375 3.470 -1.866 1.00 3.23 C ATOM 739 O VAL A 55 -4.817 3.850 -2.898 1.00 13.33 O ATOM 740 CB VAL A 55 -4.597 1.276 -0.830 1.00 4.02 C ATOM 741 CG1 VAL A 55 -4.515 1.759 0.627 1.00 32.54 C ATOM 742 CG2 VAL A 55 -4.772 -0.248 -0.752 1.00 32.53 C ATOM 0 H VAL A 55 -5.134 1.739 -3.635 1.00 63.32 H new ATOM 0 HA VAL A 55 -6.630 1.905 -1.081 1.00 71.54 H new ATOM 0 HB VAL A 55 -3.692 1.528 -1.382 1.00 4.02 H new ATOM 0 HG11 VAL A 55 -3.722 1.219 1.145 1.00 32.54 H new ATOM 0 HG12 VAL A 55 -4.298 2.827 0.645 1.00 32.54 H new ATOM 0 HG13 VAL A 55 -5.466 1.573 1.126 1.00 32.54 H new ATOM 0 HG21 VAL A 55 -3.960 -0.678 -0.165 1.00 32.53 H new ATOM 0 HG22 VAL A 55 -5.726 -0.481 -0.278 1.00 32.53 H new ATOM 0 HG23 VAL A 55 -4.754 -0.668 -1.758 1.00 32.53 H new ATOM 752 N GLU A 56 -5.697 4.310 -0.885 1.00 73.02 N ATOM 753 CA GLU A 56 -5.397 5.726 -0.928 1.00 11.22 C ATOM 754 C GLU A 56 -4.868 6.109 0.447 1.00 44.45 C ATOM 755 O GLU A 56 -5.542 5.970 1.475 1.00 4.40 O ATOM 756 CB GLU A 56 -6.623 6.513 -1.401 1.00 63.01 C ATOM 757 CG GLU A 56 -6.235 7.794 -2.143 1.00 42.54 C ATOM 758 CD GLU A 56 -7.389 8.217 -3.041 1.00 20.33 C ATOM 759 OE1 GLU A 56 -8.487 8.513 -2.520 1.00 0.41 O ATOM 760 OE2 GLU A 56 -7.234 8.203 -4.288 1.00 62.25 O ATOM 0 H GLU A 56 -6.177 4.018 -0.034 1.00 73.02 H new ATOM 0 HA GLU A 56 -4.626 5.974 -1.657 1.00 11.22 H new ATOM 0 HB2 GLU A 56 -7.226 5.884 -2.056 1.00 63.01 H new ATOM 0 HB3 GLU A 56 -7.244 6.766 -0.542 1.00 63.01 H new ATOM 0 HG2 GLU A 56 -6.003 8.586 -1.431 1.00 42.54 H new ATOM 0 HG3 GLU A 56 -5.337 7.627 -2.738 1.00 42.54 H new ATOM 765 N PHE A 57 -3.589 6.459 0.454 1.00 44.53 N ATOM 766 CA PHE A 57 -2.871 6.947 1.608 1.00 34.30 C ATOM 767 C PHE A 57 -3.222 8.422 1.768 1.00 14.54 C ATOM 768 O PHE A 57 -3.979 9.012 0.992 1.00 51.41 O ATOM 769 CB PHE A 57 -1.357 6.721 1.429 1.00 24.11 C ATOM 770 CG PHE A 57 -0.881 5.305 1.700 1.00 51.05 C ATOM 771 CD1 PHE A 57 -1.503 4.197 1.097 1.00 32.24 C ATOM 772 CD2 PHE A 57 0.187 5.086 2.588 1.00 73.53 C ATOM 773 CE1 PHE A 57 -1.070 2.892 1.379 1.00 43.25 C ATOM 774 CE2 PHE A 57 0.629 3.784 2.863 1.00 72.34 C ATOM 775 CZ PHE A 57 0.009 2.682 2.253 1.00 31.30 C ATOM 0 H PHE A 57 -3.006 6.406 -0.381 1.00 44.53 H new ATOM 0 HA PHE A 57 -3.155 6.408 2.512 1.00 34.30 H new ATOM 0 HB2 PHE A 57 -1.083 6.991 0.409 1.00 24.11 H new ATOM 0 HB3 PHE A 57 -0.823 7.401 2.093 1.00 24.11 H new ATOM 0 HD1 PHE A 57 -2.322 4.352 0.410 1.00 32.24 H new ATOM 0 HD2 PHE A 57 0.671 5.927 3.062 1.00 73.53 H new ATOM 0 HE1 PHE A 57 -1.567 2.048 0.923 1.00 43.25 H new ATOM 0 HE2 PHE A 57 1.450 3.628 3.547 1.00 72.34 H new ATOM 0 HZ PHE A 57 0.359 1.680 2.454 1.00 31.30 H new ATOM 784 N VAL A 58 -2.677 9.017 2.817 1.00 43.44 N ATOM 785 CA VAL A 58 -2.890 10.417 3.135 1.00 54.24 C ATOM 786 C VAL A 58 -2.132 11.310 2.148 1.00 24.14 C ATOM 787 O VAL A 58 -2.733 12.125 1.451 1.00 35.20 O ATOM 788 CB VAL A 58 -2.470 10.650 4.600 1.00 64.23 C ATOM 789 CG1 VAL A 58 -2.577 12.130 4.978 1.00 20.11 C ATOM 790 CG2 VAL A 58 -3.325 9.803 5.562 1.00 51.53 C ATOM 0 H VAL A 58 -2.068 8.535 3.478 1.00 43.44 H new ATOM 0 HA VAL A 58 -3.942 10.682 3.035 1.00 54.24 H new ATOM 0 HB VAL A 58 -1.429 10.342 4.692 1.00 64.23 H new ATOM 0 HG11 VAL A 58 -2.274 12.263 6.017 1.00 20.11 H new ATOM 0 HG12 VAL A 58 -1.926 12.719 4.332 1.00 20.11 H new ATOM 0 HG13 VAL A 58 -3.607 12.463 4.855 1.00 20.11 H new ATOM 0 HG21 VAL A 58 -3.008 9.987 6.588 1.00 51.53 H new ATOM 0 HG22 VAL A 58 -4.375 10.076 5.452 1.00 51.53 H new ATOM 0 HG23 VAL A 58 -3.199 8.746 5.327 1.00 51.53 H new ATOM 800 N ARG A 59 -0.807 11.184 2.105 1.00 52.32 N ATOM 801 CA ARG A 59 0.083 12.105 1.406 1.00 24.13 C ATOM 802 C ARG A 59 1.170 11.325 0.699 1.00 75.31 C ATOM 803 O ARG A 59 1.372 10.141 0.979 1.00 52.45 O ATOM 804 CB ARG A 59 0.662 13.144 2.382 1.00 15.33 C ATOM 805 CG ARG A 59 1.472 12.464 3.491 1.00 2.14 C ATOM 806 CD ARG A 59 1.973 13.427 4.570 1.00 54.21 C ATOM 807 NE ARG A 59 2.097 12.716 5.841 1.00 22.33 N ATOM 808 CZ ARG A 59 2.467 13.210 7.018 1.00 34.30 C ATOM 809 NH1 ARG A 59 2.999 14.423 7.140 1.00 73.01 N ATOM 810 NH2 ARG A 59 2.277 12.484 8.104 1.00 62.11 N ATOM 0 H ARG A 59 -0.312 10.421 2.566 1.00 52.32 H new ATOM 0 HA ARG A 59 -0.482 12.654 0.653 1.00 24.13 H new ATOM 0 HB2 ARG A 59 1.298 13.843 1.839 1.00 15.33 H new ATOM 0 HB3 ARG A 59 -0.148 13.725 2.823 1.00 15.33 H new ATOM 0 HG2 ARG A 59 0.856 11.697 3.960 1.00 2.14 H new ATOM 0 HG3 ARG A 59 2.327 11.957 3.044 1.00 2.14 H new ATOM 0 HD2 ARG A 59 2.937 13.845 4.280 1.00 54.21 H new ATOM 0 HD3 ARG A 59 1.282 14.263 4.675 1.00 54.21 H new ATOM 0 HE ARG A 59 1.873 11.721 5.822 1.00 22.33 H new ATOM 0 HH11 ARG A 59 3.134 15.006 6.314 1.00 73.01 H new ATOM 0 HH12 ARG A 59 3.272 14.770 8.060 1.00 73.01 H new ATOM 0 HH21 ARG A 59 1.852 11.559 8.032 1.00 62.11 H new ATOM 0 HH22 ARG A 59 2.555 12.848 9.016 1.00 62.11 H new ATOM 821 N LYS A 60 1.917 12.022 -0.159 1.00 2.10 N ATOM 822 CA LYS A 60 3.009 11.419 -0.898 1.00 55.15 C ATOM 823 C LYS A 60 4.067 10.839 0.030 1.00 34.24 C ATOM 824 O LYS A 60 4.681 9.866 -0.374 1.00 22.30 O ATOM 825 CB LYS A 60 3.613 12.425 -1.892 1.00 52.34 C ATOM 826 CG LYS A 60 4.734 11.764 -2.713 1.00 63.52 C ATOM 827 CD LYS A 60 5.009 12.442 -4.066 1.00 42.04 C ATOM 828 CE LYS A 60 4.888 11.436 -5.220 1.00 1.32 C ATOM 829 NZ LYS A 60 6.152 10.760 -5.572 1.00 25.30 N ATOM 0 H LYS A 60 1.777 13.013 -0.355 1.00 2.10 H new ATOM 0 HA LYS A 60 2.604 10.585 -1.471 1.00 55.15 H new ATOM 0 HB2 LYS A 60 2.836 12.797 -2.560 1.00 52.34 H new ATOM 0 HB3 LYS A 60 4.008 13.286 -1.353 1.00 52.34 H new ATOM 0 HG2 LYS A 60 5.651 11.769 -2.124 1.00 63.52 H new ATOM 0 HG3 LYS A 60 4.473 10.720 -2.889 1.00 63.52 H new ATOM 0 HD2 LYS A 60 4.305 13.260 -4.217 1.00 42.04 H new ATOM 0 HD3 LYS A 60 6.008 12.878 -4.062 1.00 42.04 H new ATOM 0 HE2 LYS A 60 4.148 10.681 -4.952 1.00 1.32 H new ATOM 0 HE3 LYS A 60 4.510 11.955 -6.101 1.00 1.32 H new ATOM 0 HZ1 LYS A 60 5.985 10.099 -6.358 1.00 25.30 H new ATOM 0 HZ2 LYS A 60 6.856 11.469 -5.860 1.00 25.30 H new ATOM 0 HZ3 LYS A 60 6.506 10.235 -4.747 1.00 25.30 H new ATOM 839 N GLU A 61 4.273 11.381 1.229 1.00 31.31 N ATOM 840 CA GLU A 61 5.299 10.889 2.149 1.00 2.22 C ATOM 841 C GLU A 61 5.020 9.426 2.506 1.00 21.32 C ATOM 842 O GLU A 61 5.823 8.542 2.205 1.00 61.52 O ATOM 843 CB GLU A 61 5.367 11.768 3.414 1.00 42.45 C ATOM 844 CG GLU A 61 5.540 13.266 3.120 1.00 40.11 C ATOM 845 CD GLU A 61 6.748 13.573 2.235 1.00 63.25 C ATOM 846 OE1 GLU A 61 7.857 13.067 2.515 1.00 54.01 O ATOM 847 OE2 GLU A 61 6.606 14.372 1.282 1.00 14.22 O ATOM 0 H GLU A 61 3.737 12.170 1.590 1.00 31.31 H new ATOM 0 HA GLU A 61 6.270 10.946 1.657 1.00 2.22 H new ATOM 0 HB2 GLU A 61 4.456 11.624 3.994 1.00 42.45 H new ATOM 0 HB3 GLU A 61 6.197 11.431 4.035 1.00 42.45 H new ATOM 0 HG2 GLU A 61 4.639 13.640 2.635 1.00 40.11 H new ATOM 0 HG3 GLU A 61 5.642 13.805 4.062 1.00 40.11 H new ATOM 852 N ASP A 62 3.851 9.170 3.101 1.00 42.01 N ATOM 853 CA ASP A 62 3.453 7.848 3.582 1.00 62.34 C ATOM 854 C ASP A 62 3.342 6.884 2.404 1.00 31.44 C ATOM 855 O ASP A 62 3.811 5.750 2.472 1.00 71.54 O ATOM 856 CB ASP A 62 2.112 7.935 4.334 1.00 40.44 C ATOM 857 CG ASP A 62 2.186 8.853 5.553 1.00 60.42 C ATOM 858 OD1 ASP A 62 2.725 8.444 6.606 1.00 35.33 O ATOM 859 OD2 ASP A 62 1.748 10.014 5.441 1.00 33.34 O ATOM 0 H ASP A 62 3.145 9.888 3.263 1.00 42.01 H new ATOM 0 HA ASP A 62 4.210 7.477 4.273 1.00 62.34 H new ATOM 0 HB2 ASP A 62 1.341 8.299 3.655 1.00 40.44 H new ATOM 0 HB3 ASP A 62 1.812 6.937 4.652 1.00 40.44 H new ATOM 863 N MET A 63 2.753 7.361 1.302 1.00 1.43 N ATOM 864 CA MET A 63 2.613 6.617 0.061 1.00 42.33 C ATOM 865 C MET A 63 3.983 6.190 -0.472 1.00 34.21 C ATOM 866 O MET A 63 4.182 5.013 -0.768 1.00 53.21 O ATOM 867 CB MET A 63 1.822 7.476 -0.933 1.00 40.44 C ATOM 868 CG MET A 63 1.496 6.694 -2.201 1.00 21.42 C ATOM 869 SD MET A 63 2.778 6.766 -3.476 1.00 70.44 S ATOM 870 CE MET A 63 2.444 8.424 -4.106 1.00 14.32 C ATOM 0 H MET A 63 2.353 8.298 1.255 1.00 1.43 H new ATOM 0 HA MET A 63 2.059 5.693 0.227 1.00 42.33 H new ATOM 0 HB2 MET A 63 0.898 7.819 -0.467 1.00 40.44 H new ATOM 0 HB3 MET A 63 2.399 8.365 -1.189 1.00 40.44 H new ATOM 0 HG2 MET A 63 1.323 5.651 -1.935 1.00 21.42 H new ATOM 0 HG3 MET A 63 0.564 7.075 -2.618 1.00 21.42 H new ATOM 0 HE1 MET A 63 3.069 8.615 -4.978 1.00 14.32 H new ATOM 0 HE2 MET A 63 1.394 8.501 -4.388 1.00 14.32 H new ATOM 0 HE3 MET A 63 2.667 9.159 -3.332 1.00 14.32 H new ATOM 878 N THR A 64 4.933 7.120 -0.579 1.00 40.23 N ATOM 879 CA THR A 64 6.278 6.832 -1.050 1.00 61.24 C ATOM 880 C THR A 64 6.904 5.762 -0.161 1.00 42.13 C ATOM 881 O THR A 64 7.337 4.732 -0.678 1.00 33.51 O ATOM 882 CB THR A 64 7.120 8.118 -1.143 1.00 12.40 C ATOM 883 OG1 THR A 64 6.518 8.997 -2.073 1.00 70.25 O ATOM 884 CG2 THR A 64 8.562 7.869 -1.589 1.00 5.41 C ATOM 0 H THR A 64 4.784 8.100 -0.338 1.00 40.23 H new ATOM 0 HA THR A 64 6.240 6.434 -2.064 1.00 61.24 H new ATOM 0 HB THR A 64 7.154 8.543 -0.140 1.00 12.40 H new ATOM 0 HG1 THR A 64 5.897 9.593 -1.605 1.00 70.25 H new ATOM 0 HG21 THR A 64 9.098 8.817 -1.633 1.00 5.41 H new ATOM 0 HG22 THR A 64 9.054 7.207 -0.877 1.00 5.41 H new ATOM 0 HG23 THR A 64 8.563 7.406 -2.576 1.00 5.41 H new ATOM 892 N TYR A 65 6.908 5.960 1.162 1.00 65.25 N ATOM 893 CA TYR A 65 7.521 5.039 2.116 1.00 65.24 C ATOM 894 C TYR A 65 6.954 3.623 1.994 1.00 41.23 C ATOM 895 O TYR A 65 7.679 2.647 2.184 1.00 74.55 O ATOM 896 CB TYR A 65 7.303 5.574 3.533 1.00 71.53 C ATOM 897 CG TYR A 65 8.137 4.894 4.602 1.00 11.41 C ATOM 898 CD1 TYR A 65 9.406 5.407 4.912 1.00 32.21 C ATOM 899 CD2 TYR A 65 7.641 3.795 5.326 1.00 72.44 C ATOM 900 CE1 TYR A 65 10.140 4.906 5.996 1.00 31.22 C ATOM 901 CE2 TYR A 65 8.374 3.271 6.409 1.00 4.11 C ATOM 902 CZ TYR A 65 9.620 3.841 6.759 1.00 53.24 C ATOM 903 OH TYR A 65 10.368 3.355 7.782 1.00 44.25 O ATOM 0 H TYR A 65 6.480 6.775 1.602 1.00 65.25 H new ATOM 0 HA TYR A 65 8.587 4.977 1.895 1.00 65.24 H new ATOM 0 HB2 TYR A 65 7.525 6.641 3.542 1.00 71.53 H new ATOM 0 HB3 TYR A 65 6.249 5.466 3.790 1.00 71.53 H new ATOM 0 HD1 TYR A 65 9.823 6.199 4.307 1.00 32.21 H new ATOM 0 HD2 TYR A 65 6.695 3.351 5.051 1.00 72.44 H new ATOM 0 HE1 TYR A 65 11.100 5.334 6.245 1.00 31.22 H new ATOM 0 HE2 TYR A 65 7.985 2.435 6.971 1.00 4.11 H new ATOM 0 HH TYR A 65 9.886 2.624 8.221 1.00 44.25 H new ATOM 912 N ALA A 66 5.677 3.488 1.629 1.00 1.42 N ATOM 913 CA ALA A 66 5.023 2.197 1.471 1.00 24.53 C ATOM 914 C ALA A 66 5.706 1.396 0.360 1.00 10.03 C ATOM 915 O ALA A 66 5.936 0.205 0.513 1.00 63.33 O ATOM 916 CB ALA A 66 3.532 2.378 1.172 1.00 33.32 C ATOM 0 H ALA A 66 5.067 4.282 1.434 1.00 1.42 H new ATOM 0 HA ALA A 66 5.113 1.643 2.405 1.00 24.53 H new ATOM 0 HB1 ALA A 66 3.063 1.401 1.058 1.00 33.32 H new ATOM 0 HB2 ALA A 66 3.058 2.914 1.995 1.00 33.32 H new ATOM 0 HB3 ALA A 66 3.412 2.948 0.251 1.00 33.32 H new ATOM 922 N VAL A 67 6.102 2.040 -0.735 1.00 52.22 N ATOM 923 CA VAL A 67 6.792 1.363 -1.837 1.00 12.13 C ATOM 924 C VAL A 67 8.218 0.952 -1.421 1.00 51.32 C ATOM 925 O VAL A 67 8.864 0.179 -2.121 1.00 33.43 O ATOM 926 CB VAL A 67 6.767 2.259 -3.098 1.00 43.21 C ATOM 927 CG1 VAL A 67 7.191 1.525 -4.382 1.00 12.42 C ATOM 928 CG2 VAL A 67 5.358 2.817 -3.379 1.00 21.12 C ATOM 0 H VAL A 67 5.957 3.038 -0.886 1.00 52.22 H new ATOM 0 HA VAL A 67 6.269 0.439 -2.084 1.00 12.13 H new ATOM 0 HB VAL A 67 7.478 3.052 -2.867 1.00 43.21 H new ATOM 0 HG11 VAL A 67 7.150 2.214 -5.226 1.00 12.42 H new ATOM 0 HG12 VAL A 67 8.209 1.151 -4.268 1.00 12.42 H new ATOM 0 HG13 VAL A 67 6.515 0.689 -4.563 1.00 12.42 H new ATOM 0 HG21 VAL A 67 5.385 3.441 -4.273 1.00 21.12 H new ATOM 0 HG22 VAL A 67 4.664 1.991 -3.534 1.00 21.12 H new ATOM 0 HG23 VAL A 67 5.027 3.415 -2.530 1.00 21.12 H new ATOM 938 N ARG A 68 8.738 1.458 -0.296 1.00 10.22 N ATOM 939 CA ARG A 68 10.115 1.225 0.142 1.00 42.12 C ATOM 940 C ARG A 68 10.185 0.238 1.301 1.00 31.23 C ATOM 941 O ARG A 68 11.165 -0.493 1.404 1.00 62.35 O ATOM 942 CB ARG A 68 10.777 2.558 0.534 1.00 5.04 C ATOM 943 CG ARG A 68 10.611 3.683 -0.494 1.00 14.01 C ATOM 944 CD ARG A 68 11.187 3.330 -1.875 1.00 33.32 C ATOM 945 NE ARG A 68 11.093 4.461 -2.817 1.00 62.12 N ATOM 946 CZ ARG A 68 11.875 5.550 -2.821 1.00 64.21 C ATOM 947 NH1 ARG A 68 12.936 5.632 -2.022 1.00 1.03 N ATOM 948 NH2 ARG A 68 11.594 6.552 -3.641 1.00 41.12 N ATOM 0 H ARG A 68 8.205 2.048 0.343 1.00 10.22 H new ATOM 0 HA ARG A 68 10.658 0.784 -0.694 1.00 42.12 H new ATOM 0 HB2 ARG A 68 10.360 2.889 1.485 1.00 5.04 H new ATOM 0 HB3 ARG A 68 11.841 2.386 0.695 1.00 5.04 H new ATOM 0 HG2 ARG A 68 9.552 3.918 -0.598 1.00 14.01 H new ATOM 0 HG3 ARG A 68 11.102 4.582 -0.122 1.00 14.01 H new ATOM 0 HD2 ARG A 68 12.230 3.033 -1.768 1.00 33.32 H new ATOM 0 HD3 ARG A 68 10.652 2.473 -2.283 1.00 33.32 H new ATOM 0 HE ARG A 68 10.366 4.410 -3.531 1.00 62.12 H new ATOM 0 HH11 ARG A 68 13.164 4.860 -1.395 1.00 1.03 H new ATOM 0 HH12 ARG A 68 13.522 6.467 -2.036 1.00 1.03 H new ATOM 0 HH21 ARG A 68 10.788 6.491 -4.263 1.00 41.12 H new ATOM 0 HH22 ARG A 68 12.184 7.384 -3.650 1.00 41.12 H new ATOM 959 N LYS A 69 9.184 0.222 2.187 1.00 72.31 N ATOM 960 CA LYS A 69 9.172 -0.591 3.410 1.00 64.55 C ATOM 961 C LYS A 69 7.982 -1.551 3.471 1.00 4.42 C ATOM 962 O LYS A 69 7.981 -2.444 4.322 1.00 64.23 O ATOM 963 CB LYS A 69 9.177 0.325 4.651 1.00 51.01 C ATOM 964 CG LYS A 69 10.562 0.855 5.065 1.00 5.12 C ATOM 965 CD LYS A 69 11.124 1.941 4.143 1.00 12.32 C ATOM 966 CE LYS A 69 12.331 2.623 4.788 1.00 72.54 C ATOM 967 NZ LYS A 69 13.042 3.490 3.826 1.00 12.32 N ATOM 0 H LYS A 69 8.341 0.785 2.073 1.00 72.31 H new ATOM 0 HA LYS A 69 10.074 -1.203 3.396 1.00 64.55 H new ATOM 0 HB2 LYS A 69 8.522 1.175 4.459 1.00 51.01 H new ATOM 0 HB3 LYS A 69 8.749 -0.224 5.490 1.00 51.01 H new ATOM 0 HG2 LYS A 69 10.498 1.253 6.078 1.00 5.12 H new ATOM 0 HG3 LYS A 69 11.263 0.021 5.094 1.00 5.12 H new ATOM 0 HD2 LYS A 69 11.415 1.501 3.189 1.00 12.32 H new ATOM 0 HD3 LYS A 69 10.352 2.681 3.931 1.00 12.32 H new ATOM 0 HE2 LYS A 69 12.002 3.217 5.640 1.00 72.54 H new ATOM 0 HE3 LYS A 69 13.015 1.866 5.172 1.00 72.54 H new ATOM 0 HZ1 LYS A 69 13.855 3.937 4.296 1.00 12.32 H new ATOM 0 HZ2 LYS A 69 13.377 2.918 3.025 1.00 12.32 H new ATOM 0 HZ3 LYS A 69 12.395 4.227 3.479 1.00 12.32 H new ATOM 977 N LEU A 70 6.980 -1.399 2.604 1.00 64.22 N ATOM 978 CA LEU A 70 5.706 -2.124 2.616 1.00 30.20 C ATOM 979 C LEU A 70 5.523 -2.858 1.279 1.00 21.12 C ATOM 980 O LEU A 70 4.406 -3.243 0.945 1.00 41.35 O ATOM 981 CB LEU A 70 4.549 -1.132 2.911 1.00 73.55 C ATOM 982 CG LEU A 70 3.349 -1.611 3.753 1.00 55.43 C ATOM 983 CD1 LEU A 70 2.558 -2.786 3.179 1.00 62.43 C ATOM 984 CD2 LEU A 70 3.769 -1.907 5.189 1.00 53.11 C ATOM 0 H LEU A 70 7.037 -0.733 1.834 1.00 64.22 H new ATOM 0 HA LEU A 70 5.701 -2.876 3.405 1.00 30.20 H new ATOM 0 HB2 LEU A 70 4.979 -0.266 3.414 1.00 73.55 H new ATOM 0 HB3 LEU A 70 4.161 -0.785 1.953 1.00 73.55 H new ATOM 0 HG LEU A 70 2.657 -0.769 3.727 1.00 55.43 H new ATOM 0 HD11 LEU A 70 1.739 -3.037 3.853 1.00 62.43 H new ATOM 0 HD12 LEU A 70 2.155 -2.512 2.204 1.00 62.43 H new ATOM 0 HD13 LEU A 70 3.215 -3.648 3.070 1.00 62.43 H new ATOM 0 HD21 LEU A 70 2.903 -2.243 5.760 1.00 53.11 H new ATOM 0 HD22 LEU A 70 4.530 -2.687 5.192 1.00 53.11 H new ATOM 0 HD23 LEU A 70 4.174 -1.003 5.643 1.00 53.11 H new ATOM 995 N ASP A 71 6.583 -3.073 0.493 1.00 13.01 N ATOM 996 CA ASP A 71 6.523 -3.779 -0.789 1.00 30.42 C ATOM 997 C ASP A 71 7.268 -5.113 -0.711 1.00 1.00 C ATOM 998 O ASP A 71 8.247 -5.231 0.028 1.00 42.42 O ATOM 999 CB ASP A 71 7.081 -2.873 -1.895 1.00 21.51 C ATOM 1000 CG ASP A 71 7.356 -3.651 -3.181 1.00 61.31 C ATOM 1001 OD1 ASP A 71 6.389 -4.066 -3.862 1.00 34.24 O ATOM 1002 OD2 ASP A 71 8.547 -3.876 -3.495 1.00 74.24 O ATOM 0 H ASP A 71 7.522 -2.756 0.735 1.00 13.01 H new ATOM 0 HA ASP A 71 5.485 -4.012 -1.028 1.00 30.42 H new ATOM 0 HB2 ASP A 71 6.372 -2.071 -2.100 1.00 21.51 H new ATOM 0 HB3 ASP A 71 8.002 -2.404 -1.550 1.00 21.51 H new ATOM 1006 N ASN A 72 6.822 -6.127 -1.470 1.00 23.33 N ATOM 1007 CA ASN A 72 7.425 -7.458 -1.507 1.00 22.14 C ATOM 1008 C ASN A 72 7.336 -8.143 -0.132 1.00 50.14 C ATOM 1009 O ASN A 72 8.194 -8.954 0.226 1.00 31.52 O ATOM 1010 CB ASN A 72 8.857 -7.363 -2.064 1.00 23.21 C ATOM 1011 CG ASN A 72 9.230 -8.592 -2.876 1.00 72.33 C ATOM 1012 OD1 ASN A 72 9.137 -9.723 -2.415 1.00 24.44 O ATOM 1013 ND2 ASN A 72 9.655 -8.406 -4.114 1.00 42.33 N ATOM 0 H ASN A 72 6.014 -6.037 -2.086 1.00 23.33 H new ATOM 0 HA ASN A 72 6.865 -8.101 -2.186 1.00 22.14 H new ATOM 0 HB2 ASN A 72 8.946 -6.474 -2.689 1.00 23.21 H new ATOM 0 HB3 ASN A 72 9.560 -7.245 -1.240 1.00 23.21 H new ATOM 0 HD21 ASN A 72 9.908 -9.207 -4.692 1.00 42.33 H new ATOM 0 HD22 ASN A 72 9.730 -7.461 -4.491 1.00 42.33 H new ATOM 1019 N THR A 73 6.328 -7.798 0.673 1.00 34.40 N ATOM 1020 CA THR A 73 6.130 -8.307 2.028 1.00 22.34 C ATOM 1021 C THR A 73 5.260 -9.569 1.987 1.00 44.25 C ATOM 1022 O THR A 73 4.751 -9.941 0.925 1.00 22.43 O ATOM 1023 CB THR A 73 5.516 -7.202 2.919 1.00 24.23 C ATOM 1024 OG1 THR A 73 4.163 -6.930 2.588 1.00 4.12 O ATOM 1025 CG2 THR A 73 6.294 -5.885 2.824 1.00 44.33 C ATOM 0 H THR A 73 5.606 -7.136 0.389 1.00 34.40 H new ATOM 0 HA THR A 73 7.089 -8.585 2.465 1.00 22.34 H new ATOM 0 HB THR A 73 5.573 -7.594 3.934 1.00 24.23 H new ATOM 0 HG1 THR A 73 3.588 -7.631 2.960 1.00 4.12 H new ATOM 0 HG21 THR A 73 5.826 -5.139 3.466 1.00 44.33 H new ATOM 0 HG22 THR A 73 7.323 -6.046 3.145 1.00 44.33 H new ATOM 0 HG23 THR A 73 6.287 -5.532 1.793 1.00 44.33 H new ATOM 1033 N LYS A 74 5.044 -10.219 3.133 1.00 45.12 N ATOM 1034 CA LYS A 74 3.917 -11.129 3.333 1.00 21.34 C ATOM 1035 C LYS A 74 2.630 -10.297 3.506 1.00 10.21 C ATOM 1036 O LYS A 74 2.707 -9.077 3.711 1.00 44.34 O ATOM 1037 CB LYS A 74 4.203 -12.022 4.558 1.00 25.51 C ATOM 1038 CG LYS A 74 3.417 -13.343 4.560 1.00 32.40 C ATOM 1039 CD LYS A 74 4.067 -14.428 3.691 1.00 62.35 C ATOM 1040 CE LYS A 74 4.910 -15.411 4.511 1.00 42.21 C ATOM 1041 NZ LYS A 74 6.133 -14.813 5.103 1.00 3.24 N ATOM 0 H LYS A 74 5.648 -10.128 3.950 1.00 45.12 H new ATOM 0 HA LYS A 74 3.781 -11.782 2.471 1.00 21.34 H new ATOM 0 HB2 LYS A 74 5.269 -12.245 4.593 1.00 25.51 H new ATOM 0 HB3 LYS A 74 3.964 -11.466 5.465 1.00 25.51 H new ATOM 0 HG2 LYS A 74 3.332 -13.707 5.584 1.00 32.40 H new ATOM 0 HG3 LYS A 74 2.404 -13.157 4.203 1.00 32.40 H new ATOM 0 HD2 LYS A 74 3.290 -14.977 3.159 1.00 62.35 H new ATOM 0 HD3 LYS A 74 4.697 -13.956 2.937 1.00 62.35 H new ATOM 0 HE2 LYS A 74 4.295 -15.821 5.312 1.00 42.21 H new ATOM 0 HE3 LYS A 74 5.199 -16.246 3.872 1.00 42.21 H new ATOM 0 HZ1 LYS A 74 6.649 -15.538 5.641 1.00 3.24 H new ATOM 0 HZ2 LYS A 74 6.742 -14.446 4.344 1.00 3.24 H new ATOM 0 HZ3 LYS A 74 5.866 -14.035 5.739 1.00 3.24 H new ATOM 1051 N PHE A 75 1.467 -10.941 3.452 1.00 32.43 N ATOM 1052 CA PHE A 75 0.145 -10.398 3.721 1.00 61.13 C ATOM 1053 C PHE A 75 -0.747 -11.450 4.359 1.00 13.41 C ATOM 1054 O PHE A 75 -0.433 -12.623 4.243 1.00 50.44 O ATOM 1055 CB PHE A 75 -0.452 -9.916 2.395 1.00 34.41 C ATOM 1056 CG PHE A 75 -1.856 -9.367 2.502 1.00 54.01 C ATOM 1057 CD1 PHE A 75 -2.104 -8.150 3.160 1.00 64.34 C ATOM 1058 CD2 PHE A 75 -2.931 -10.144 2.043 1.00 24.22 C ATOM 1059 CE1 PHE A 75 -3.427 -7.742 3.386 1.00 54.43 C ATOM 1060 CE2 PHE A 75 -4.252 -9.710 2.233 1.00 51.41 C ATOM 1061 CZ PHE A 75 -4.503 -8.509 2.912 1.00 13.35 C ATOM 0 H PHE A 75 1.425 -11.929 3.200 1.00 32.43 H new ATOM 0 HA PHE A 75 0.220 -9.565 4.420 1.00 61.13 H new ATOM 0 HB2 PHE A 75 0.196 -9.144 1.979 1.00 34.41 H new ATOM 0 HB3 PHE A 75 -0.453 -10.746 1.689 1.00 34.41 H new ATOM 0 HD1 PHE A 75 -1.281 -7.533 3.490 1.00 64.34 H new ATOM 0 HD2 PHE A 75 -2.741 -11.081 1.541 1.00 24.22 H new ATOM 0 HE1 PHE A 75 -3.620 -6.829 3.930 1.00 54.43 H new ATOM 0 HE2 PHE A 75 -5.074 -10.300 1.857 1.00 51.41 H new ATOM 0 HZ PHE A 75 -5.518 -8.176 3.069 1.00 13.35 H new ATOM 1070 N ARG A 76 -1.842 -11.064 5.026 1.00 21.20 N ATOM 1071 CA ARG A 76 -2.694 -11.972 5.793 1.00 51.01 C ATOM 1072 C ARG A 76 -4.068 -12.036 5.143 1.00 60.44 C ATOM 1073 O ARG A 76 -4.696 -11.011 4.902 1.00 42.33 O ATOM 1074 CB ARG A 76 -2.815 -11.505 7.253 1.00 4.10 C ATOM 1075 CG ARG A 76 -1.473 -11.445 8.000 1.00 0.44 C ATOM 1076 CD ARG A 76 -1.695 -10.956 9.437 1.00 44.11 C ATOM 1077 NE ARG A 76 -0.455 -10.450 10.054 1.00 12.04 N ATOM 1078 CZ ARG A 76 -0.301 -9.267 10.669 1.00 14.22 C ATOM 1079 NH1 ARG A 76 -1.292 -8.385 10.764 1.00 44.34 N ATOM 1080 NH2 ARG A 76 0.877 -8.948 11.191 1.00 33.50 N ATOM 0 H ARG A 76 -2.163 -10.096 5.046 1.00 21.20 H new ATOM 0 HA ARG A 76 -2.245 -12.965 5.796 1.00 51.01 H new ATOM 0 HB2 ARG A 76 -3.275 -10.517 7.271 1.00 4.10 H new ATOM 0 HB3 ARG A 76 -3.486 -12.179 7.785 1.00 4.10 H new ATOM 0 HG2 ARG A 76 -1.008 -12.431 8.010 1.00 0.44 H new ATOM 0 HG3 ARG A 76 -0.788 -10.775 7.481 1.00 0.44 H new ATOM 0 HD2 ARG A 76 -2.447 -10.167 9.438 1.00 44.11 H new ATOM 0 HD3 ARG A 76 -2.091 -11.774 10.040 1.00 44.11 H new ATOM 0 HE ARG A 76 0.364 -11.057 10.009 1.00 12.04 H new ATOM 0 HH11 ARG A 76 -2.205 -8.598 10.362 1.00 44.34 H new ATOM 0 HH12 ARG A 76 -1.139 -7.495 11.239 1.00 44.34 H new ATOM 0 HH21 ARG A 76 1.658 -9.600 11.123 1.00 33.50 H new ATOM 0 HH22 ARG A 76 1.001 -8.051 11.660 1.00 33.50 H new ATOM 1091 N SER A 77 -4.529 -13.241 4.837 1.00 62.53 N ATOM 1092 CA SER A 77 -5.887 -13.491 4.384 1.00 73.21 C ATOM 1093 C SER A 77 -6.749 -13.842 5.585 1.00 35.44 C ATOM 1094 O SER A 77 -6.237 -14.297 6.610 1.00 52.20 O ATOM 1095 CB SER A 77 -5.788 -14.706 3.468 1.00 3.04 C ATOM 1096 OG SER A 77 -6.939 -15.047 2.734 1.00 75.50 O ATOM 0 H SER A 77 -3.959 -14.085 4.898 1.00 62.53 H new ATOM 0 HA SER A 77 -6.322 -12.629 3.879 1.00 73.21 H new ATOM 0 HB2 SER A 77 -4.975 -14.533 2.763 1.00 3.04 H new ATOM 0 HB3 SER A 77 -5.506 -15.566 4.075 1.00 3.04 H new ATOM 0 HG SER A 77 -6.723 -15.762 2.100 1.00 75.50 H new ATOM 1101 N HIS A 78 -8.068 -13.771 5.412 1.00 1.24 N ATOM 1102 CA HIS A 78 -8.993 -14.346 6.376 1.00 60.21 C ATOM 1103 C HIS A 78 -9.054 -15.883 6.263 1.00 73.20 C ATOM 1104 O HIS A 78 -9.681 -16.521 7.108 1.00 40.42 O ATOM 1105 CB HIS A 78 -10.385 -13.714 6.200 1.00 31.21 C ATOM 1106 CG HIS A 78 -11.229 -13.701 7.454 1.00 51.10 C ATOM 1107 ND1 HIS A 78 -10.817 -14.034 8.727 1.00 60.41 N ATOM 1108 CD2 HIS A 78 -12.523 -13.259 7.544 1.00 43.42 C ATOM 1109 CE1 HIS A 78 -11.831 -13.795 9.565 1.00 1.34 C ATOM 1110 NE2 HIS A 78 -12.901 -13.321 8.896 1.00 20.21 N ATOM 0 H HIS A 78 -8.515 -13.321 4.613 1.00 1.24 H new ATOM 0 HA HIS A 78 -8.630 -14.121 7.379 1.00 60.21 H new ATOM 0 HB2 HIS A 78 -10.263 -12.690 5.848 1.00 31.21 H new ATOM 0 HB3 HIS A 78 -10.921 -14.257 5.422 1.00 31.21 H new ATOM 0 HD2 HIS A 78 -13.141 -12.924 6.724 1.00 43.42 H new ATOM 0 HE1 HIS A 78 -11.797 -13.959 10.632 1.00 1.34 H new ATOM 0 HE2 HIS A 78 -13.804 -13.060 9.292 1.00 20.21 H new ATOM 1117 N GLU A 79 -8.436 -16.505 5.246 1.00 73.22 N ATOM 1118 CA GLU A 79 -8.648 -17.928 4.964 1.00 43.20 C ATOM 1119 C GLU A 79 -7.863 -18.858 5.902 1.00 21.41 C ATOM 1120 O GLU A 79 -8.182 -20.047 5.969 1.00 11.31 O ATOM 1121 CB GLU A 79 -8.404 -18.267 3.476 1.00 15.42 C ATOM 1122 CG GLU A 79 -9.596 -19.044 2.877 1.00 0.32 C ATOM 1123 CD GLU A 79 -9.358 -19.567 1.452 1.00 72.40 C ATOM 1124 OE1 GLU A 79 -8.195 -19.875 1.105 1.00 51.21 O ATOM 1125 OE2 GLU A 79 -10.338 -19.811 0.709 1.00 63.53 O ATOM 0 H GLU A 79 -7.787 -16.043 4.608 1.00 73.22 H new ATOM 0 HA GLU A 79 -9.701 -18.117 5.171 1.00 43.20 H new ATOM 0 HB2 GLU A 79 -8.246 -17.348 2.912 1.00 15.42 H new ATOM 0 HB3 GLU A 79 -7.495 -18.860 3.380 1.00 15.42 H new ATOM 0 HG2 GLU A 79 -9.828 -19.888 3.527 1.00 0.32 H new ATOM 0 HG3 GLU A 79 -10.472 -18.395 2.872 1.00 0.32 H new ATOM 1130 N GLY A 80 -6.899 -18.337 6.668 1.00 4.02 N ATOM 1131 CA GLY A 80 -5.990 -19.126 7.502 1.00 0.43 C ATOM 1132 C GLY A 80 -4.605 -19.243 6.878 1.00 0.25 C ATOM 1133 O GLY A 80 -3.935 -20.272 6.992 1.00 74.24 O ATOM 0 H GLY A 80 -6.726 -17.333 6.726 1.00 4.02 H new ATOM 0 HA2 GLY A 80 -5.907 -18.664 8.486 1.00 0.43 H new ATOM 0 HA3 GLY A 80 -6.406 -20.122 7.651 1.00 0.43 H new ATOM 1137 N GLU A 81 -4.188 -18.215 6.143 1.00 24.15 N ATOM 1138 CA GLU A 81 -3.003 -18.241 5.312 1.00 12.05 C ATOM 1139 C GLU A 81 -2.429 -16.846 5.142 1.00 65.21 C ATOM 1140 O GLU A 81 -3.048 -15.853 5.548 1.00 20.43 O ATOM 1141 CB GLU A 81 -3.332 -18.913 3.974 1.00 73.11 C ATOM 1142 CG GLU A 81 -4.666 -18.526 3.308 1.00 42.32 C ATOM 1143 CD GLU A 81 -4.600 -17.343 2.349 1.00 11.42 C ATOM 1144 OE1 GLU A 81 -3.614 -16.575 2.376 1.00 34.23 O ATOM 1145 OE2 GLU A 81 -5.634 -17.114 1.677 1.00 51.10 O ATOM 0 H GLU A 81 -4.682 -17.323 6.113 1.00 24.15 H new ATOM 0 HA GLU A 81 -2.227 -18.832 5.799 1.00 12.05 H new ATOM 0 HB2 GLU A 81 -2.526 -18.689 3.275 1.00 73.11 H new ATOM 0 HB3 GLU A 81 -3.330 -19.992 4.127 1.00 73.11 H new ATOM 0 HG2 GLU A 81 -5.046 -19.391 2.765 1.00 42.32 H new ATOM 0 HG3 GLU A 81 -5.390 -18.298 4.090 1.00 42.32 H new ATOM 1150 N THR A 82 -1.213 -16.810 4.602 1.00 54.34 N ATOM 1151 CA THR A 82 -0.465 -15.595 4.330 1.00 73.44 C ATOM 1152 C THR A 82 0.349 -15.800 3.049 1.00 5.05 C ATOM 1153 O THR A 82 1.175 -16.725 3.014 1.00 45.41 O ATOM 1154 CB THR A 82 0.421 -15.161 5.515 1.00 53.24 C ATOM 1155 OG1 THR A 82 1.517 -16.045 5.686 1.00 21.12 O ATOM 1156 CG2 THR A 82 -0.326 -15.169 6.848 1.00 35.34 C ATOM 0 H THR A 82 -0.709 -17.656 4.335 1.00 54.34 H new ATOM 0 HA THR A 82 -1.169 -14.775 4.188 1.00 73.44 H new ATOM 0 HB THR A 82 0.744 -14.150 5.266 1.00 53.24 H new ATOM 0 HG1 THR A 82 1.768 -16.426 4.819 1.00 21.12 H new ATOM 0 HG21 THR A 82 0.348 -14.855 7.645 1.00 35.34 H new ATOM 0 HG22 THR A 82 -1.171 -14.482 6.796 1.00 35.34 H new ATOM 0 HG23 THR A 82 -0.689 -16.176 7.056 1.00 35.34 H new ATOM 1164 N ALA A 83 0.146 -14.947 2.051 1.00 42.04 N ATOM 1165 CA ALA A 83 0.819 -14.946 0.758 1.00 61.40 C ATOM 1166 C ALA A 83 1.727 -13.712 0.686 1.00 53.43 C ATOM 1167 O ALA A 83 1.875 -13.022 1.697 1.00 53.11 O ATOM 1168 CB ALA A 83 -0.253 -14.995 -0.338 1.00 43.34 C ATOM 0 H ALA A 83 -0.535 -14.191 2.128 1.00 42.04 H new ATOM 0 HA ALA A 83 1.460 -15.816 0.616 1.00 61.40 H new ATOM 0 HB1 ALA A 83 0.227 -14.995 -1.317 1.00 43.34 H new ATOM 0 HB2 ALA A 83 -0.847 -15.902 -0.225 1.00 43.34 H new ATOM 0 HB3 ALA A 83 -0.901 -14.123 -0.252 1.00 43.34 H new ATOM 1174 N TYR A 84 2.373 -13.410 -0.446 1.00 33.25 N ATOM 1175 CA TYR A 84 3.121 -12.167 -0.611 1.00 63.24 C ATOM 1176 C TYR A 84 2.356 -11.196 -1.497 1.00 5.23 C ATOM 1177 O TYR A 84 1.553 -11.605 -2.338 1.00 44.40 O ATOM 1178 CB TYR A 84 4.514 -12.421 -1.192 1.00 43.31 C ATOM 1179 CG TYR A 84 4.527 -12.823 -2.647 1.00 64.40 C ATOM 1180 CD1 TYR A 84 4.434 -14.184 -2.974 1.00 64.52 C ATOM 1181 CD2 TYR A 84 4.594 -11.847 -3.666 1.00 44.30 C ATOM 1182 CE1 TYR A 84 4.407 -14.589 -4.312 1.00 72.43 C ATOM 1183 CE2 TYR A 84 4.542 -12.250 -5.015 1.00 4.15 C ATOM 1184 CZ TYR A 84 4.461 -13.624 -5.342 1.00 2.24 C ATOM 1185 OH TYR A 84 4.408 -14.021 -6.642 1.00 54.23 O ATOM 0 H TYR A 84 2.390 -14.018 -1.265 1.00 33.25 H new ATOM 0 HA TYR A 84 3.243 -11.726 0.378 1.00 63.24 H new ATOM 0 HB2 TYR A 84 5.112 -11.518 -1.073 1.00 43.31 H new ATOM 0 HB3 TYR A 84 4.999 -13.204 -0.609 1.00 43.31 H new ATOM 0 HD1 TYR A 84 4.383 -14.923 -2.188 1.00 64.52 H new ATOM 0 HD2 TYR A 84 4.684 -10.801 -3.413 1.00 44.30 H new ATOM 0 HE1 TYR A 84 4.345 -15.639 -4.558 1.00 72.43 H new ATOM 0 HE2 TYR A 84 4.564 -11.509 -5.800 1.00 4.15 H new ATOM 0 HH TYR A 84 4.455 -13.236 -7.226 1.00 54.23 H new ATOM 1194 N ILE A 85 2.644 -9.907 -1.351 1.00 2.44 N ATOM 1195 CA ILE A 85 2.108 -8.859 -2.206 1.00 41.41 C ATOM 1196 C ILE A 85 3.254 -7.986 -2.697 1.00 23.22 C ATOM 1197 O ILE A 85 4.395 -8.089 -2.246 1.00 5.33 O ATOM 1198 CB ILE A 85 0.989 -8.051 -1.509 1.00 64.54 C ATOM 1199 CG1 ILE A 85 1.547 -7.279 -0.298 1.00 63.25 C ATOM 1200 CG2 ILE A 85 -0.211 -8.958 -1.212 1.00 53.10 C ATOM 1201 CD1 ILE A 85 0.570 -6.527 0.610 1.00 65.13 C ATOM 0 H ILE A 85 3.267 -9.558 -0.623 1.00 2.44 H new ATOM 0 HA ILE A 85 1.627 -9.314 -3.072 1.00 41.41 H new ATOM 0 HB ILE A 85 0.607 -7.278 -2.176 1.00 64.54 H new ATOM 0 HG12 ILE A 85 2.095 -7.989 0.322 1.00 63.25 H new ATOM 0 HG13 ILE A 85 2.272 -6.557 -0.673 1.00 63.25 H new ATOM 0 HG21 ILE A 85 -0.993 -8.378 -0.721 1.00 53.10 H new ATOM 0 HG22 ILE A 85 -0.596 -9.369 -2.145 1.00 53.10 H new ATOM 0 HG23 ILE A 85 0.101 -9.772 -0.558 1.00 53.10 H new ATOM 0 HD11 ILE A 85 1.122 -6.038 1.413 1.00 65.13 H new ATOM 0 HD12 ILE A 85 0.036 -5.776 0.027 1.00 65.13 H new ATOM 0 HD13 ILE A 85 -0.144 -7.231 1.037 1.00 65.13 H new ATOM 1212 N ARG A 86 2.927 -7.116 -3.643 1.00 42.45 N ATOM 1213 CA ARG A 86 3.782 -6.064 -4.166 1.00 23.11 C ATOM 1214 C ARG A 86 2.925 -4.809 -4.121 1.00 1.10 C ATOM 1215 O ARG A 86 1.696 -4.920 -4.153 1.00 23.43 O ATOM 1216 CB ARG A 86 4.209 -6.397 -5.606 1.00 51.35 C ATOM 1217 CG ARG A 86 4.884 -7.772 -5.772 1.00 24.54 C ATOM 1218 CD ARG A 86 6.409 -7.742 -5.840 1.00 5.40 C ATOM 1219 NE ARG A 86 6.935 -9.111 -5.961 1.00 71.14 N ATOM 1220 CZ ARG A 86 6.822 -9.898 -7.034 1.00 54.22 C ATOM 1221 NH1 ARG A 86 6.386 -9.415 -8.193 1.00 10.21 N ATOM 1222 NH2 ARG A 86 7.110 -11.185 -6.940 1.00 31.14 N ATOM 0 H ARG A 86 2.009 -7.127 -4.088 1.00 42.45 H new ATOM 0 HA ARG A 86 4.701 -5.943 -3.592 1.00 23.11 H new ATOM 0 HB2 ARG A 86 3.330 -6.358 -6.250 1.00 51.35 H new ATOM 0 HB3 ARG A 86 4.895 -5.625 -5.955 1.00 51.35 H new ATOM 0 HG2 ARG A 86 4.586 -8.409 -4.939 1.00 24.54 H new ATOM 0 HG3 ARG A 86 4.505 -8.238 -6.681 1.00 24.54 H new ATOM 0 HD2 ARG A 86 6.731 -7.143 -6.692 1.00 5.40 H new ATOM 0 HD3 ARG A 86 6.812 -7.267 -4.946 1.00 5.40 H new ATOM 0 HE ARG A 86 7.429 -9.492 -5.154 1.00 71.14 H new ATOM 0 HH11 ARG A 86 6.132 -8.430 -8.272 1.00 10.21 H new ATOM 0 HH12 ARG A 86 6.305 -10.029 -9.003 1.00 10.21 H new ATOM 0 HH21 ARG A 86 7.418 -11.575 -6.049 1.00 31.14 H new ATOM 0 HH22 ARG A 86 7.024 -11.788 -7.758 1.00 31.14 H new ATOM 1233 N VAL A 87 3.546 -3.640 -4.059 1.00 72.53 N ATOM 1234 CA VAL A 87 2.860 -2.355 -3.997 1.00 43.22 C ATOM 1235 C VAL A 87 3.397 -1.478 -5.129 1.00 4.04 C ATOM 1236 O VAL A 87 4.605 -1.443 -5.380 1.00 21.10 O ATOM 1237 CB VAL A 87 3.035 -1.742 -2.588 1.00 31.34 C ATOM 1238 CG1 VAL A 87 2.394 -0.348 -2.489 1.00 51.23 C ATOM 1239 CG2 VAL A 87 2.405 -2.640 -1.505 1.00 71.34 C ATOM 0 H VAL A 87 4.562 -3.555 -4.050 1.00 72.53 H new ATOM 0 HA VAL A 87 1.785 -2.457 -4.145 1.00 43.22 H new ATOM 0 HB VAL A 87 4.109 -1.659 -2.423 1.00 31.34 H new ATOM 0 HG11 VAL A 87 2.539 0.048 -1.484 1.00 51.23 H new ATOM 0 HG12 VAL A 87 2.861 0.320 -3.213 1.00 51.23 H new ATOM 0 HG13 VAL A 87 1.327 -0.422 -2.700 1.00 51.23 H new ATOM 0 HG21 VAL A 87 2.545 -2.182 -0.526 1.00 71.34 H new ATOM 0 HG22 VAL A 87 1.339 -2.756 -1.703 1.00 71.34 H new ATOM 0 HG23 VAL A 87 2.885 -3.619 -1.519 1.00 71.34 H new ATOM 1249 N LYS A 88 2.508 -0.763 -5.823 1.00 24.22 N ATOM 1250 CA LYS A 88 2.871 0.224 -6.837 1.00 12.32 C ATOM 1251 C LYS A 88 2.142 1.525 -6.597 1.00 31.52 C ATOM 1252 O LYS A 88 0.989 1.513 -6.179 1.00 13.42 O ATOM 1253 CB LYS A 88 2.583 -0.267 -8.264 1.00 43.23 C ATOM 1254 CG LYS A 88 1.209 -0.945 -8.449 1.00 32.23 C ATOM 1255 CD LYS A 88 0.593 -0.801 -9.854 1.00 5.03 C ATOM 1256 CE LYS A 88 0.193 0.659 -10.122 1.00 10.02 C ATOM 1257 NZ LYS A 88 -0.804 0.828 -11.202 1.00 65.40 N ATOM 0 H LYS A 88 1.501 -0.857 -5.692 1.00 24.22 H new ATOM 0 HA LYS A 88 3.946 0.381 -6.748 1.00 12.32 H new ATOM 0 HB2 LYS A 88 2.649 0.581 -8.945 1.00 43.23 H new ATOM 0 HB3 LYS A 88 3.362 -0.971 -8.555 1.00 43.23 H new ATOM 0 HG2 LYS A 88 1.311 -2.006 -8.221 1.00 32.23 H new ATOM 0 HG3 LYS A 88 0.514 -0.528 -7.720 1.00 32.23 H new ATOM 0 HD2 LYS A 88 1.309 -1.132 -10.607 1.00 5.03 H new ATOM 0 HD3 LYS A 88 -0.282 -1.445 -9.941 1.00 5.03 H new ATOM 0 HE2 LYS A 88 -0.207 1.088 -9.204 1.00 10.02 H new ATOM 0 HE3 LYS A 88 1.087 1.228 -10.377 1.00 10.02 H new ATOM 0 HZ1 LYS A 88 -1.020 1.838 -11.320 1.00 65.40 H new ATOM 0 HZ2 LYS A 88 -0.420 0.450 -12.091 1.00 65.40 H new ATOM 0 HZ3 LYS A 88 -1.674 0.315 -10.955 1.00 65.40 H new ATOM 1267 N VAL A 89 2.795 2.629 -6.946 1.00 54.43 N ATOM 1268 CA VAL A 89 2.146 3.920 -7.126 1.00 1.04 C ATOM 1269 C VAL A 89 1.183 3.739 -8.294 1.00 61.35 C ATOM 1270 O VAL A 89 1.587 3.214 -9.339 1.00 12.00 O ATOM 1271 CB VAL A 89 3.170 5.047 -7.373 1.00 22.50 C ATOM 1272 CG1 VAL A 89 2.469 6.413 -7.374 1.00 13.33 C ATOM 1273 CG2 VAL A 89 4.279 5.050 -6.309 1.00 4.20 C ATOM 0 H VAL A 89 3.801 2.651 -7.113 1.00 54.43 H new ATOM 0 HA VAL A 89 1.611 4.228 -6.227 1.00 1.04 H new ATOM 0 HB VAL A 89 3.626 4.863 -8.346 1.00 22.50 H new ATOM 0 HG11 VAL A 89 3.204 7.199 -7.549 1.00 13.33 H new ATOM 0 HG12 VAL A 89 1.718 6.436 -8.163 1.00 13.33 H new ATOM 0 HG13 VAL A 89 1.987 6.575 -6.410 1.00 13.33 H new ATOM 0 HG21 VAL A 89 4.981 5.858 -6.517 1.00 4.20 H new ATOM 0 HG22 VAL A 89 3.837 5.198 -5.324 1.00 4.20 H new ATOM 0 HG23 VAL A 89 4.807 4.096 -6.331 1.00 4.20 H new ATOM 1283 N ASP A 90 -0.072 4.112 -8.057 1.00 45.45 N ATOM 1284 CA ASP A 90 -1.236 3.930 -8.921 1.00 10.34 C ATOM 1285 C ASP A 90 -0.960 4.440 -10.324 1.00 51.21 C ATOM 1286 O ASP A 90 -0.659 5.644 -10.484 1.00 21.43 O ATOM 1287 CB ASP A 90 -2.451 4.629 -8.298 1.00 42.01 C ATOM 1288 CG ASP A 90 -3.720 4.464 -9.133 1.00 1.22 C ATOM 1289 OD1 ASP A 90 -3.835 5.075 -10.218 1.00 45.35 O ATOM 1290 OD2 ASP A 90 -4.626 3.721 -8.697 1.00 30.21 O ATOM 0 H ASP A 90 -0.321 4.586 -7.189 1.00 45.45 H new ATOM 0 HA ASP A 90 -1.453 2.865 -9.006 1.00 10.34 H new ATOM 0 HB2 ASP A 90 -2.623 4.227 -7.300 1.00 42.01 H new ATOM 0 HB3 ASP A 90 -2.234 5.691 -8.181 1.00 42.01 H new