USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 761 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 36 GLN : amide:sc= 0.102 K(o=0.95,f=0.25) USER MOD Set 1.2: A 57 SER OG : rot -70:sc= 0.846 USER MOD Set 2.1: A 54 SER OG : rot -143:sc= -0.358 USER MOD Set 2.2: A 63 HIS : no HE2:sc= -1.58! C(o=-1.9!,f=-2.9!) USER MOD Single : A 17 GLN : amide:sc= -0.12 K(o=-0.12,f=-0.69) USER MOD Single : A 20 TYR OH : rot 180:sc= -0.0371 USER MOD Single : A 21 HIS : no HD1:sc= 0.712 K(o=0.71,f=-3!) USER MOD Single : A 30 GLN : amide:sc= 1.62 K(o=1.6,f=-10!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 144:sc= 0.454 USER MOD Single : A 51 TYR OH : rot -101:sc= 0.921 USER MOD Single : A 56 TYR OH : rot 180:sc= -0.833 USER MOD Single : A 60 GLN : amide:sc= -0.259 X(o=-0.26,f=-0.057) USER MOD Single : A 67 GLN : amide:sc= -0.687 K(o=-0.69,f=-2.5) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc=-0.00726 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 GLN : amide:sc= -0.0732 X(o=-0.073,f=-0.07) USER MOD Single : A 89 HIS : no HD1:sc= -0.0967 K(o=-0.097,f=-0.85) USER MOD Single : A 90 HIS : no HE2:sc= 1.13 K(o=1.1,f=-3.5!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot -77:sc= 1.06 USER MOD Single : A 93 THR OG1 : rot -95:sc= 1.04 USER MOD Single : A 94 LYS NZ :NH3+ 164:sc= 0.944 (180deg=0.467) USER MOD Single : A 95 GLN : amide:sc= -2.11 K(o=-2.1,f=-0.6) USER MOD Single : A 98 THR OG1 : rot -121:sc= 1.27 USER MOD Single : A 99 LYS NZ :NH3+ 167:sc= -0.0199 (180deg=-0.172) USER MOD Single : A 100 LYS NZ :NH3+ -176:sc= 0.796 (180deg=0.781) USER MOD Single : A 101 SER OG : rot -179:sc= 0.0286 USER MOD Single : A 107 ASN : amide:sc= -0.305 K(o=-0.31,f=-0.87) USER MOD ----------------------------------------------------------------- ATOM 203 N PRO A 13 5.705 3.929 -14.376 1.00 51.24 N ATOM 204 CA PRO A 13 5.090 4.970 -13.528 1.00 51.02 C ATOM 205 C PRO A 13 3.944 4.433 -12.650 1.00 21.00 C ATOM 206 O PRO A 13 3.430 3.331 -12.873 1.00 62.53 O ATOM 207 CB PRO A 13 4.559 5.990 -14.552 1.00 34.43 C ATOM 208 CG PRO A 13 4.434 5.218 -15.823 1.00 22.54 C ATOM 209 CD PRO A 13 5.582 4.256 -15.808 1.00 65.51 C ATOM 0 HA PRO A 13 5.804 5.385 -12.817 1.00 51.02 H new ATOM 0 HB2 PRO A 13 3.598 6.400 -14.241 1.00 34.43 H new ATOM 0 HB3 PRO A 13 5.243 6.831 -14.665 1.00 34.43 H new ATOM 0 HG2 PRO A 13 3.480 4.693 -15.873 1.00 22.54 H new ATOM 0 HG3 PRO A 13 4.482 5.876 -16.691 1.00 22.54 H new ATOM 0 HD2 PRO A 13 5.378 3.371 -16.410 1.00 65.51 H new ATOM 0 HD3 PRO A 13 6.494 4.706 -16.201 1.00 65.51 H new ATOM 217 N LEU A 14 3.541 5.226 -11.660 1.00 52.14 N ATOM 218 CA LEU A 14 2.494 4.824 -10.711 1.00 13.42 C ATOM 219 C LEU A 14 1.162 4.507 -11.420 1.00 4.13 C ATOM 220 O LEU A 14 0.491 3.533 -11.085 1.00 12.53 O ATOM 221 CB LEU A 14 2.286 5.929 -9.669 1.00 24.42 C ATOM 222 CG LEU A 14 1.293 5.597 -8.539 1.00 72.53 C ATOM 223 CD1 LEU A 14 1.766 4.386 -7.733 1.00 53.42 C ATOM 224 CD2 LEU A 14 1.099 6.809 -7.632 1.00 65.32 C ATOM 0 H LEU A 14 3.923 6.156 -11.490 1.00 52.14 H new ATOM 0 HA LEU A 14 2.826 3.911 -10.218 1.00 13.42 H new ATOM 0 HB2 LEU A 14 3.251 6.169 -9.222 1.00 24.42 H new ATOM 0 HB3 LEU A 14 1.940 6.827 -10.181 1.00 24.42 H new ATOM 0 HG LEU A 14 0.333 5.344 -8.989 1.00 72.53 H new ATOM 0 HD11 LEU A 14 1.048 4.173 -6.942 1.00 53.42 H new ATOM 0 HD12 LEU A 14 1.849 3.521 -8.391 1.00 53.42 H new ATOM 0 HD13 LEU A 14 2.739 4.600 -7.291 1.00 53.42 H new ATOM 0 HD21 LEU A 14 0.395 6.560 -6.838 1.00 65.32 H new ATOM 0 HD22 LEU A 14 2.056 7.092 -7.193 1.00 65.32 H new ATOM 0 HD23 LEU A 14 0.708 7.642 -8.216 1.00 65.32 H new ATOM 236 N ALA A 15 0.796 5.322 -12.409 1.00 32.42 N ATOM 237 CA ALA A 15 -0.447 5.119 -13.168 1.00 21.11 C ATOM 238 C ALA A 15 -0.433 3.801 -13.969 1.00 23.33 C ATOM 239 O ALA A 15 -1.471 3.340 -14.450 1.00 21.41 O ATOM 240 CB ALA A 15 -0.689 6.299 -14.102 1.00 31.13 C ATOM 0 H ALA A 15 1.341 6.131 -12.707 1.00 32.42 H new ATOM 0 HA ALA A 15 -1.261 5.051 -12.447 1.00 21.11 H new ATOM 0 HB1 ALA A 15 -1.612 6.139 -14.659 1.00 31.13 H new ATOM 0 HB2 ALA A 15 -0.773 7.215 -13.517 1.00 31.13 H new ATOM 0 HB3 ALA A 15 0.145 6.389 -14.799 1.00 31.13 H new ATOM 246 N GLU A 16 0.749 3.208 -14.123 1.00 21.10 N ATOM 247 CA GLU A 16 0.895 1.915 -14.802 1.00 52.25 C ATOM 248 C GLU A 16 0.816 0.743 -13.816 1.00 75.35 C ATOM 249 O GLU A 16 0.505 -0.385 -14.200 1.00 32.35 O ATOM 250 CB GLU A 16 2.227 1.861 -15.562 1.00 75.05 C ATOM 251 CG GLU A 16 2.231 2.642 -16.869 1.00 42.24 C ATOM 252 CD GLU A 16 1.301 2.038 -17.907 1.00 33.13 C ATOM 253 OE1 GLU A 16 1.605 0.932 -18.405 1.00 54.34 O ATOM 254 OE2 GLU A 16 0.274 2.666 -18.238 1.00 15.21 O ATOM 0 H GLU A 16 1.627 3.603 -13.786 1.00 21.10 H new ATOM 0 HA GLU A 16 0.068 1.821 -15.506 1.00 52.25 H new ATOM 0 HB2 GLU A 16 3.016 2.248 -14.918 1.00 75.05 H new ATOM 0 HB3 GLU A 16 2.470 0.820 -15.773 1.00 75.05 H new ATOM 0 HG2 GLU A 16 1.934 3.672 -16.674 1.00 42.24 H new ATOM 0 HG3 GLU A 16 3.245 2.673 -17.268 1.00 42.24 H new ATOM 261 N GLN A 17 1.088 1.015 -12.544 1.00 43.15 N ATOM 262 CA GLN A 17 1.068 -0.025 -11.510 1.00 34.21 C ATOM 263 C GLN A 17 -0.327 -0.660 -11.383 1.00 25.23 C ATOM 264 O GLN A 17 -1.330 0.033 -11.232 1.00 30.14 O ATOM 265 CB GLN A 17 1.517 0.563 -10.171 1.00 54.14 C ATOM 266 CG GLN A 17 2.925 1.151 -10.203 1.00 42.42 C ATOM 267 CD GLN A 17 3.986 0.135 -10.601 1.00 33.11 C ATOM 268 OE1 GLN A 17 3.847 -1.059 -10.356 1.00 43.21 O ATOM 269 NE2 GLN A 17 5.055 0.597 -11.221 1.00 1.44 N ATOM 0 H GLN A 17 1.325 1.945 -12.200 1.00 43.15 H new ATOM 0 HA GLN A 17 1.762 -0.813 -11.803 1.00 34.21 H new ATOM 0 HB2 GLN A 17 0.814 1.341 -9.871 1.00 54.14 H new ATOM 0 HB3 GLN A 17 1.475 -0.216 -9.409 1.00 54.14 H new ATOM 0 HG2 GLN A 17 2.948 1.985 -10.904 1.00 42.42 H new ATOM 0 HG3 GLN A 17 3.167 1.554 -9.219 1.00 42.42 H new ATOM 0 HE21 GLN A 17 5.143 1.595 -11.411 1.00 1.44 H new ATOM 0 HE22 GLN A 17 5.794 -0.044 -11.510 1.00 1.44 H new ATOM 278 N ASP A 18 -0.385 -1.985 -11.461 1.00 25.43 N ATOM 279 CA ASP A 18 -1.664 -2.699 -11.470 1.00 64.32 C ATOM 280 C ASP A 18 -2.314 -2.758 -10.079 1.00 34.13 C ATOM 281 O ASP A 18 -3.530 -2.900 -9.966 1.00 21.43 O ATOM 282 CB ASP A 18 -1.467 -4.103 -12.040 1.00 31.42 C ATOM 283 CG ASP A 18 -0.880 -4.056 -13.443 1.00 1.02 C ATOM 284 OD1 ASP A 18 -1.417 -3.307 -14.288 1.00 13.52 O ATOM 285 OD2 ASP A 18 0.127 -4.753 -13.702 1.00 33.43 O ATOM 0 H ASP A 18 0.435 -2.589 -11.519 1.00 25.43 H new ATOM 0 HA ASP A 18 -2.350 -2.142 -12.108 1.00 64.32 H new ATOM 0 HB2 ASP A 18 -0.806 -4.673 -11.387 1.00 31.42 H new ATOM 0 HB3 ASP A 18 -2.423 -4.626 -12.061 1.00 31.42 H new ATOM 290 N TRP A 19 -1.506 -2.639 -9.026 1.00 3.32 N ATOM 291 CA TRP A 19 -2.028 -2.581 -7.653 1.00 14.40 C ATOM 292 C TRP A 19 -2.509 -1.162 -7.287 1.00 5.22 C ATOM 293 O TRP A 19 -3.030 -0.933 -6.195 1.00 34.04 O ATOM 294 CB TRP A 19 -0.978 -3.091 -6.646 1.00 62.42 C ATOM 295 CG TRP A 19 0.436 -2.657 -6.936 1.00 62.04 C ATOM 296 CD1 TRP A 19 1.430 -3.426 -7.476 1.00 33.32 C ATOM 297 CD2 TRP A 19 1.022 -1.369 -6.694 1.00 21.42 C ATOM 298 NE1 TRP A 19 2.587 -2.697 -7.589 1.00 11.52 N ATOM 299 CE2 TRP A 19 2.364 -1.432 -7.119 1.00 63.11 C ATOM 300 CE3 TRP A 19 0.542 -0.166 -6.169 1.00 21.44 C ATOM 301 CZ2 TRP A 19 3.228 -0.345 -7.028 1.00 3.44 C ATOM 302 CZ3 TRP A 19 1.402 0.914 -6.081 1.00 5.43 C ATOM 303 CH2 TRP A 19 2.732 0.819 -6.511 1.00 64.15 C ATOM 0 H TRP A 19 -0.490 -2.581 -9.093 1.00 3.32 H new ATOM 0 HA TRP A 19 -2.895 -3.239 -7.601 1.00 14.40 H new ATOM 0 HB2 TRP A 19 -1.252 -2.745 -5.649 1.00 62.42 H new ATOM 0 HB3 TRP A 19 -1.012 -4.180 -6.626 1.00 62.42 H new ATOM 0 HD1 TRP A 19 1.320 -4.459 -7.771 1.00 33.32 H new ATOM 0 HE1 TRP A 19 3.471 -3.043 -7.963 1.00 11.52 H new ATOM 0 HE3 TRP A 19 -0.482 -0.081 -5.838 1.00 21.44 H new ATOM 0 HZ2 TRP A 19 4.255 -0.419 -7.355 1.00 3.44 H new ATOM 0 HZ3 TRP A 19 1.042 1.847 -5.674 1.00 5.43 H new ATOM 0 HH2 TRP A 19 3.377 1.681 -6.433 1.00 64.15 H new ATOM 314 N TYR A 20 -2.344 -0.219 -8.213 1.00 65.31 N ATOM 315 CA TYR A 20 -2.835 1.155 -8.034 1.00 60.43 C ATOM 316 C TYR A 20 -4.251 1.300 -8.615 1.00 52.02 C ATOM 317 O TYR A 20 -4.481 1.013 -9.789 1.00 3.15 O ATOM 318 CB TYR A 20 -1.878 2.144 -8.714 1.00 43.11 C ATOM 319 CG TYR A 20 -2.301 3.600 -8.607 1.00 21.02 C ATOM 320 CD1 TYR A 20 -2.239 4.272 -7.391 1.00 2.43 C ATOM 321 CD2 TYR A 20 -2.752 4.301 -9.722 1.00 31.01 C ATOM 322 CE1 TYR A 20 -2.615 5.596 -7.288 1.00 12.24 C ATOM 323 CE2 TYR A 20 -3.125 5.630 -9.625 1.00 63.25 C ATOM 324 CZ TYR A 20 -3.055 6.273 -8.406 1.00 63.20 C ATOM 325 OH TYR A 20 -3.413 7.600 -8.307 1.00 61.43 O ATOM 0 H TYR A 20 -1.871 -0.379 -9.103 1.00 65.31 H new ATOM 0 HA TYR A 20 -2.876 1.377 -6.968 1.00 60.43 H new ATOM 0 HB2 TYR A 20 -0.887 2.033 -8.274 1.00 43.11 H new ATOM 0 HB3 TYR A 20 -1.790 1.880 -9.768 1.00 43.11 H new ATOM 0 HD1 TYR A 20 -1.891 3.749 -6.513 1.00 2.43 H new ATOM 0 HD2 TYR A 20 -2.812 3.800 -10.677 1.00 31.01 H new ATOM 0 HE1 TYR A 20 -2.565 6.100 -6.334 1.00 12.24 H new ATOM 0 HE2 TYR A 20 -3.469 6.162 -10.500 1.00 63.25 H new ATOM 0 HH TYR A 20 -3.699 7.928 -9.185 1.00 61.43 H new ATOM 335 N HIS A 21 -5.202 1.738 -7.788 1.00 54.21 N ATOM 336 CA HIS A 21 -6.601 1.864 -8.223 1.00 33.53 C ATOM 337 C HIS A 21 -7.113 3.312 -8.114 1.00 64.14 C ATOM 338 O HIS A 21 -8.006 3.611 -7.321 1.00 55.35 O ATOM 339 CB HIS A 21 -7.496 0.913 -7.413 1.00 32.14 C ATOM 340 CG HIS A 21 -7.254 -0.538 -7.711 1.00 31.44 C ATOM 341 ND1 HIS A 21 -8.145 -1.316 -8.414 1.00 51.43 N ATOM 342 CD2 HIS A 21 -6.217 -1.356 -7.396 1.00 44.33 C ATOM 343 CE1 HIS A 21 -7.675 -2.542 -8.518 1.00 63.04 C ATOM 344 NE2 HIS A 21 -6.507 -2.596 -7.912 1.00 64.01 N ATOM 0 H HIS A 21 -5.035 2.011 -6.819 1.00 54.21 H new ATOM 0 HA HIS A 21 -6.644 1.586 -9.276 1.00 33.53 H new ATOM 0 HB2 HIS A 21 -7.331 1.090 -6.350 1.00 32.14 H new ATOM 0 HB3 HIS A 21 -8.541 1.148 -7.617 1.00 32.14 H new ATOM 0 HD2 HIS A 21 -5.330 -1.083 -6.843 1.00 44.33 H new ATOM 0 HE1 HIS A 21 -8.165 -3.365 -9.017 1.00 63.04 H new ATOM 0 HE2 HIS A 21 -5.915 -3.423 -7.838 1.00 64.01 H new ATOM 353 N GLY A 22 -6.522 4.200 -8.913 1.00 62.11 N ATOM 354 CA GLY A 22 -6.968 5.591 -8.986 1.00 34.32 C ATOM 355 C GLY A 22 -7.057 6.290 -7.627 1.00 45.44 C ATOM 356 O GLY A 22 -6.123 6.235 -6.828 1.00 1.22 O ATOM 0 H GLY A 22 -5.732 3.980 -9.520 1.00 62.11 H new ATOM 0 HA2 GLY A 22 -6.283 6.148 -9.625 1.00 34.32 H new ATOM 0 HA3 GLY A 22 -7.947 5.623 -9.464 1.00 34.32 H new ATOM 360 N ALA A 23 -8.190 6.940 -7.369 1.00 31.20 N ATOM 361 CA ALA A 23 -8.409 7.674 -6.115 1.00 64.44 C ATOM 362 C ALA A 23 -9.735 7.261 -5.451 1.00 32.51 C ATOM 363 O ALA A 23 -10.437 8.091 -4.866 1.00 61.22 O ATOM 364 CB ALA A 23 -8.390 9.176 -6.389 1.00 13.50 C ATOM 0 H ALA A 23 -8.979 6.976 -8.015 1.00 31.20 H new ATOM 0 HA ALA A 23 -7.604 7.426 -5.423 1.00 64.44 H new ATOM 0 HB1 ALA A 23 -8.553 9.718 -5.457 1.00 13.50 H new ATOM 0 HB2 ALA A 23 -7.424 9.457 -6.808 1.00 13.50 H new ATOM 0 HB3 ALA A 23 -9.180 9.427 -7.097 1.00 13.50 H new ATOM 370 N ILE A 24 -10.057 5.969 -5.537 1.00 31.53 N ATOM 371 CA ILE A 24 -11.300 5.427 -4.963 1.00 0.25 C ATOM 372 C ILE A 24 -11.402 5.702 -3.449 1.00 22.13 C ATOM 373 O ILE A 24 -10.385 5.780 -2.759 1.00 3.51 O ATOM 374 CB ILE A 24 -11.409 3.897 -5.205 1.00 2.25 C ATOM 375 CG1 ILE A 24 -10.299 3.142 -4.452 1.00 2.51 C ATOM 376 CG2 ILE A 24 -11.343 3.589 -6.697 1.00 32.21 C ATOM 377 CD1 ILE A 24 -10.362 1.637 -4.617 1.00 41.31 C ATOM 0 H ILE A 24 -9.474 5.272 -6.000 1.00 31.53 H new ATOM 0 HA ILE A 24 -12.121 5.936 -5.469 1.00 0.25 H new ATOM 0 HB ILE A 24 -12.371 3.559 -4.821 1.00 2.25 H new ATOM 0 HG12 ILE A 24 -9.330 3.496 -4.802 1.00 2.51 H new ATOM 0 HG13 ILE A 24 -10.363 3.385 -3.391 1.00 2.51 H new ATOM 0 HG21 ILE A 24 -11.421 2.513 -6.850 1.00 32.21 H new ATOM 0 HG22 ILE A 24 -12.166 4.089 -7.208 1.00 32.21 H new ATOM 0 HG23 ILE A 24 -10.395 3.945 -7.101 1.00 32.21 H new ATOM 0 HD11 ILE A 24 -9.548 1.175 -4.058 1.00 41.31 H new ATOM 0 HD12 ILE A 24 -11.316 1.269 -4.240 1.00 41.31 H new ATOM 0 HD13 ILE A 24 -10.267 1.382 -5.673 1.00 41.31 H new ATOM 389 N PRO A 25 -12.628 5.856 -2.908 1.00 11.42 N ATOM 390 CA PRO A 25 -12.835 6.109 -1.468 1.00 5.25 C ATOM 391 C PRO A 25 -12.512 4.888 -0.582 1.00 71.42 C ATOM 392 O PRO A 25 -12.360 3.764 -1.073 1.00 23.23 O ATOM 393 CB PRO A 25 -14.327 6.459 -1.386 1.00 52.10 C ATOM 394 CG PRO A 25 -14.937 5.765 -2.556 1.00 0.34 C ATOM 395 CD PRO A 25 -13.903 5.816 -3.648 1.00 72.42 C ATOM 0 HA PRO A 25 -12.172 6.891 -1.098 1.00 5.25 H new ATOM 0 HB2 PRO A 25 -14.764 6.116 -0.448 1.00 52.10 H new ATOM 0 HB3 PRO A 25 -14.486 7.536 -1.436 1.00 52.10 H new ATOM 0 HG2 PRO A 25 -15.194 4.735 -2.309 1.00 0.34 H new ATOM 0 HG3 PRO A 25 -15.858 6.258 -2.866 1.00 0.34 H new ATOM 0 HD2 PRO A 25 -13.963 4.944 -4.299 1.00 72.42 H new ATOM 0 HD3 PRO A 25 -14.029 6.695 -4.280 1.00 72.42 H new ATOM 403 N ARG A 26 -12.421 5.125 0.732 1.00 73.25 N ATOM 404 CA ARG A 26 -12.095 4.067 1.705 1.00 22.32 C ATOM 405 C ARG A 26 -12.981 2.827 1.511 1.00 64.21 C ATOM 406 O ARG A 26 -12.512 1.691 1.605 1.00 53.43 O ATOM 407 CB ARG A 26 -12.279 4.590 3.142 1.00 14.32 C ATOM 408 CG ARG A 26 -11.593 3.732 4.209 1.00 64.04 C ATOM 409 CD ARG A 26 -12.263 3.857 5.579 1.00 60.22 C ATOM 410 NE ARG A 26 -13.452 3.008 5.681 1.00 21.33 N ATOM 411 CZ ARG A 26 -14.408 3.169 6.555 1.00 64.01 C ATOM 412 NH1 ARG A 26 -14.403 4.175 7.370 1.00 22.35 N ATOM 413 NH2 ARG A 26 -15.382 2.319 6.600 1.00 73.43 N ATOM 0 H ARG A 26 -12.569 6.043 1.151 1.00 73.25 H new ATOM 0 HA ARG A 26 -11.056 3.783 1.539 1.00 22.32 H new ATOM 0 HB2 ARG A 26 -11.888 5.606 3.201 1.00 14.32 H new ATOM 0 HB3 ARG A 26 -13.345 4.645 3.364 1.00 14.32 H new ATOM 0 HG2 ARG A 26 -11.606 2.688 3.895 1.00 64.04 H new ATOM 0 HG3 ARG A 26 -10.547 4.027 4.291 1.00 64.04 H new ATOM 0 HD2 ARG A 26 -11.552 3.582 6.358 1.00 60.22 H new ATOM 0 HD3 ARG A 26 -12.542 4.896 5.754 1.00 60.22 H new ATOM 0 HE ARG A 26 -13.539 2.235 5.021 1.00 21.33 H new ATOM 0 HH11 ARG A 26 -13.644 4.856 7.335 1.00 22.35 H new ATOM 0 HH12 ARG A 26 -15.158 4.287 8.047 1.00 22.35 H new ATOM 0 HH21 ARG A 26 -15.400 1.529 5.955 1.00 73.43 H new ATOM 0 HH22 ARG A 26 -16.132 2.439 7.280 1.00 73.43 H new ATOM 427 N ILE A 27 -14.265 3.065 1.236 1.00 3.51 N ATOM 428 CA ILE A 27 -15.248 1.986 1.089 1.00 12.23 C ATOM 429 C ILE A 27 -14.849 0.997 -0.018 1.00 13.10 C ATOM 430 O ILE A 27 -14.641 -0.183 0.245 1.00 75.13 O ATOM 431 CB ILE A 27 -16.656 2.556 0.778 1.00 70.41 C ATOM 432 CG1 ILE A 27 -17.090 3.531 1.887 1.00 14.52 C ATOM 433 CG2 ILE A 27 -17.679 1.428 0.614 1.00 72.33 C ATOM 434 CD1 ILE A 27 -18.447 4.166 1.657 1.00 63.53 C ATOM 0 H ILE A 27 -14.651 4.000 1.110 1.00 3.51 H new ATOM 0 HA ILE A 27 -15.273 1.453 2.040 1.00 12.23 H new ATOM 0 HB ILE A 27 -16.608 3.101 -0.165 1.00 70.41 H new ATOM 0 HG12 ILE A 27 -17.107 2.999 2.838 1.00 14.52 H new ATOM 0 HG13 ILE A 27 -16.342 4.319 1.976 1.00 14.52 H new ATOM 0 HG21 ILE A 27 -18.658 1.854 0.396 1.00 72.33 H new ATOM 0 HG22 ILE A 27 -17.376 0.778 -0.207 1.00 72.33 H new ATOM 0 HG23 ILE A 27 -17.732 0.848 1.535 1.00 72.33 H new ATOM 0 HD11 ILE A 27 -18.678 4.839 2.483 1.00 63.53 H new ATOM 0 HD12 ILE A 27 -18.432 4.729 0.724 1.00 63.53 H new ATOM 0 HD13 ILE A 27 -19.208 3.388 1.599 1.00 63.53 H new ATOM 446 N GLU A 28 -14.690 1.484 -1.241 1.00 72.00 N ATOM 447 CA GLU A 28 -14.364 0.608 -2.374 1.00 4.31 C ATOM 448 C GLU A 28 -13.022 -0.116 -2.159 1.00 3.13 C ATOM 449 O GLU A 28 -12.827 -1.244 -2.615 1.00 3.12 O ATOM 450 CB GLU A 28 -14.333 1.420 -3.673 1.00 31.45 C ATOM 451 CG GLU A 28 -15.580 2.273 -3.883 1.00 40.12 C ATOM 452 CD GLU A 28 -16.863 1.462 -3.931 1.00 54.30 C ATOM 453 OE1 GLU A 28 -17.096 0.754 -4.933 1.00 40.43 O ATOM 454 OE2 GLU A 28 -17.655 1.540 -2.965 1.00 31.25 O ATOM 0 H GLU A 28 -14.779 2.472 -1.480 1.00 72.00 H new ATOM 0 HA GLU A 28 -15.141 -0.153 -2.447 1.00 4.31 H new ATOM 0 HB2 GLU A 28 -13.456 2.067 -3.668 1.00 31.45 H new ATOM 0 HB3 GLU A 28 -14.221 0.739 -4.516 1.00 31.45 H new ATOM 0 HG2 GLU A 28 -15.651 3.004 -3.078 1.00 40.12 H new ATOM 0 HG3 GLU A 28 -15.477 2.832 -4.813 1.00 40.12 H new ATOM 461 N ALA A 29 -12.111 0.542 -1.441 1.00 71.42 N ATOM 462 CA ALA A 29 -10.802 -0.038 -1.113 1.00 51.24 C ATOM 463 C ALA A 29 -10.915 -1.196 -0.101 1.00 11.34 C ATOM 464 O ALA A 29 -10.128 -2.140 -0.140 1.00 21.15 O ATOM 465 CB ALA A 29 -9.873 1.046 -0.577 1.00 74.15 C ATOM 0 H ALA A 29 -12.254 1.482 -1.072 1.00 71.42 H new ATOM 0 HA ALA A 29 -10.386 -0.453 -2.031 1.00 51.24 H new ATOM 0 HB1 ALA A 29 -8.904 0.608 -0.336 1.00 74.15 H new ATOM 0 HB2 ALA A 29 -9.743 1.820 -1.333 1.00 74.15 H new ATOM 0 HB3 ALA A 29 -10.306 1.485 0.322 1.00 74.15 H new ATOM 471 N GLN A 30 -11.881 -1.111 0.819 1.00 43.12 N ATOM 472 CA GLN A 30 -12.085 -2.172 1.821 1.00 53.53 C ATOM 473 C GLN A 30 -13.018 -3.285 1.307 1.00 44.43 C ATOM 474 O GLN A 30 -12.877 -4.449 1.693 1.00 41.01 O ATOM 475 CB GLN A 30 -12.658 -1.585 3.124 1.00 3.54 C ATOM 476 CG GLN A 30 -14.028 -0.938 2.958 1.00 34.41 C ATOM 477 CD GLN A 30 -14.655 -0.508 4.268 1.00 44.44 C ATOM 478 OE1 GLN A 30 -14.456 0.607 4.735 1.00 43.11 O ATOM 479 NE2 GLN A 30 -15.435 -1.383 4.863 1.00 35.55 N ATOM 0 H GLN A 30 -12.530 -0.328 0.894 1.00 43.12 H new ATOM 0 HA GLN A 30 -11.108 -2.613 2.016 1.00 53.53 H new ATOM 0 HB2 GLN A 30 -12.729 -2.378 3.868 1.00 3.54 H new ATOM 0 HB3 GLN A 30 -11.961 -0.843 3.514 1.00 3.54 H new ATOM 0 HG2 GLN A 30 -13.934 -0.069 2.307 1.00 34.41 H new ATOM 0 HG3 GLN A 30 -14.695 -1.641 2.458 1.00 34.41 H new ATOM 0 HE21 GLN A 30 -15.580 -2.303 4.447 1.00 35.55 H new ATOM 0 HE22 GLN A 30 -15.896 -1.142 5.740 1.00 35.55 H new ATOM 488 N GLU A 31 -13.965 -2.921 0.441 1.00 1.33 N ATOM 489 CA GLU A 31 -14.987 -3.860 -0.049 1.00 5.55 C ATOM 490 C GLU A 31 -14.392 -4.992 -0.901 1.00 15.41 C ATOM 491 O GLU A 31 -14.795 -6.152 -0.774 1.00 24.03 O ATOM 492 CB GLU A 31 -16.057 -3.107 -0.858 1.00 42.12 C ATOM 493 CG GLU A 31 -16.841 -2.078 -0.045 1.00 41.15 C ATOM 494 CD GLU A 31 -17.674 -2.702 1.065 1.00 74.21 C ATOM 495 OE1 GLU A 31 -18.791 -3.181 0.782 1.00 13.40 O ATOM 496 OE2 GLU A 31 -17.214 -2.721 2.227 1.00 71.14 O ATOM 0 H GLU A 31 -14.049 -1.979 0.060 1.00 1.33 H new ATOM 0 HA GLU A 31 -15.441 -4.319 0.829 1.00 5.55 H new ATOM 0 HB2 GLU A 31 -15.576 -2.603 -1.696 1.00 42.12 H new ATOM 0 HB3 GLU A 31 -16.755 -3.830 -1.279 1.00 42.12 H new ATOM 0 HG2 GLU A 31 -16.145 -1.361 0.391 1.00 41.15 H new ATOM 0 HG3 GLU A 31 -17.497 -1.520 -0.713 1.00 41.15 H new ATOM 503 N LEU A 32 -13.432 -4.658 -1.767 1.00 43.45 N ATOM 504 CA LEU A 32 -12.829 -5.654 -2.667 1.00 13.24 C ATOM 505 C LEU A 32 -11.962 -6.670 -1.900 1.00 71.03 C ATOM 506 O LEU A 32 -11.757 -7.795 -2.357 1.00 55.34 O ATOM 507 CB LEU A 32 -12.011 -4.945 -3.766 1.00 42.13 C ATOM 508 CG LEU A 32 -10.760 -4.161 -3.303 1.00 32.11 C ATOM 509 CD1 LEU A 32 -9.534 -5.073 -3.217 1.00 21.22 C ATOM 510 CD2 LEU A 32 -10.487 -2.981 -4.234 1.00 54.13 C ATOM 0 H LEU A 32 -13.056 -3.715 -1.867 1.00 43.45 H new ATOM 0 HA LEU A 32 -13.636 -6.217 -3.136 1.00 13.24 H new ATOM 0 HB2 LEU A 32 -11.694 -5.694 -4.491 1.00 42.13 H new ATOM 0 HB3 LEU A 32 -12.671 -4.254 -4.290 1.00 42.13 H new ATOM 0 HG LEU A 32 -10.961 -3.774 -2.304 1.00 32.11 H new ATOM 0 HD11 LEU A 32 -8.671 -4.493 -2.889 1.00 21.22 H new ATOM 0 HD12 LEU A 32 -9.726 -5.874 -2.503 1.00 21.22 H new ATOM 0 HD13 LEU A 32 -9.331 -5.503 -4.198 1.00 21.22 H new ATOM 0 HD21 LEU A 32 -9.603 -2.443 -3.890 1.00 54.13 H new ATOM 0 HD22 LEU A 32 -10.318 -3.348 -5.246 1.00 54.13 H new ATOM 0 HD23 LEU A 32 -11.345 -2.309 -4.230 1.00 54.13 H new ATOM 522 N LEU A 33 -11.465 -6.261 -0.732 1.00 73.33 N ATOM 523 CA LEU A 33 -10.629 -7.126 0.115 1.00 73.33 C ATOM 524 C LEU A 33 -11.437 -8.310 0.676 1.00 11.31 C ATOM 525 O LEU A 33 -12.559 -8.131 1.152 1.00 34.41 O ATOM 526 CB LEU A 33 -10.047 -6.303 1.272 1.00 61.33 C ATOM 527 CG LEU A 33 -9.203 -5.088 0.855 1.00 70.22 C ATOM 528 CD1 LEU A 33 -8.743 -4.304 2.077 1.00 44.01 C ATOM 529 CD2 LEU A 33 -8.006 -5.518 0.010 1.00 63.32 C ATOM 0 H LEU A 33 -11.626 -5.331 -0.345 1.00 73.33 H new ATOM 0 HA LEU A 33 -9.822 -7.527 -0.498 1.00 73.33 H new ATOM 0 HB2 LEU A 33 -10.869 -5.956 1.898 1.00 61.33 H new ATOM 0 HB3 LEU A 33 -9.431 -6.958 1.888 1.00 61.33 H new ATOM 0 HG LEU A 33 -9.831 -4.437 0.247 1.00 70.22 H new ATOM 0 HD11 LEU A 33 -8.147 -3.449 1.758 1.00 44.01 H new ATOM 0 HD12 LEU A 33 -9.613 -3.953 2.633 1.00 44.01 H new ATOM 0 HD13 LEU A 33 -8.139 -4.948 2.716 1.00 44.01 H new ATOM 0 HD21 LEU A 33 -7.425 -4.640 -0.272 1.00 63.32 H new ATOM 0 HD22 LEU A 33 -7.379 -6.198 0.587 1.00 63.32 H new ATOM 0 HD23 LEU A 33 -8.358 -6.024 -0.889 1.00 63.32 H new ATOM 541 N LYS A 34 -10.867 -9.518 0.633 1.00 63.12 N ATOM 542 CA LYS A 34 -11.595 -10.716 1.085 1.00 4.34 C ATOM 543 C LYS A 34 -10.683 -11.766 1.749 1.00 4.22 C ATOM 544 O LYS A 34 -11.069 -12.384 2.747 1.00 54.51 O ATOM 545 CB LYS A 34 -12.351 -11.333 -0.096 1.00 60.30 C ATOM 546 CG LYS A 34 -11.464 -11.674 -1.290 1.00 74.11 C ATOM 547 CD LYS A 34 -12.295 -12.088 -2.501 1.00 14.21 C ATOM 548 CE LYS A 34 -13.177 -10.947 -3.005 1.00 41.44 C ATOM 549 NZ LYS A 34 -14.086 -11.392 -4.094 1.00 62.32 N ATOM 0 H LYS A 34 -9.921 -9.695 0.297 1.00 63.12 H new ATOM 0 HA LYS A 34 -12.298 -10.395 1.853 1.00 4.34 H new ATOM 0 HB2 LYS A 34 -12.853 -12.240 0.241 1.00 60.30 H new ATOM 0 HB3 LYS A 34 -13.127 -10.640 -0.419 1.00 60.30 H new ATOM 0 HG2 LYS A 34 -10.849 -10.811 -1.547 1.00 74.11 H new ATOM 0 HG3 LYS A 34 -10.783 -12.482 -1.021 1.00 74.11 H new ATOM 0 HD2 LYS A 34 -11.632 -12.415 -3.302 1.00 14.21 H new ATOM 0 HD3 LYS A 34 -12.920 -12.941 -2.237 1.00 14.21 H new ATOM 0 HE2 LYS A 34 -13.767 -10.551 -2.178 1.00 41.44 H new ATOM 0 HE3 LYS A 34 -12.548 -10.133 -3.366 1.00 41.44 H new ATOM 0 HZ1 LYS A 34 -14.668 -10.590 -4.410 1.00 62.32 H new ATOM 0 HZ2 LYS A 34 -13.523 -11.747 -4.893 1.00 62.32 H new ATOM 0 HZ3 LYS A 34 -14.704 -12.151 -3.742 1.00 62.32 H new ATOM 563 N LYS A 35 -9.484 -11.974 1.208 1.00 14.32 N ATOM 564 CA LYS A 35 -8.554 -12.969 1.761 1.00 4.20 C ATOM 565 C LYS A 35 -7.269 -12.313 2.290 1.00 55.30 C ATOM 566 O LYS A 35 -6.898 -11.213 1.876 1.00 73.52 O ATOM 567 CB LYS A 35 -8.218 -14.034 0.707 1.00 44.43 C ATOM 568 CG LYS A 35 -7.571 -13.470 -0.552 1.00 3.21 C ATOM 569 CD LYS A 35 -7.259 -14.552 -1.581 1.00 75.52 C ATOM 570 CE LYS A 35 -6.601 -13.968 -2.829 1.00 32.14 C ATOM 571 NZ LYS A 35 -6.337 -15.012 -3.852 1.00 41.43 N ATOM 0 H LYS A 35 -9.131 -11.473 0.393 1.00 14.32 H new ATOM 0 HA LYS A 35 -9.050 -13.450 2.604 1.00 4.20 H new ATOM 0 HB2 LYS A 35 -7.548 -14.771 1.150 1.00 44.43 H new ATOM 0 HB3 LYS A 35 -9.132 -14.559 0.430 1.00 44.43 H new ATOM 0 HG2 LYS A 35 -8.235 -12.729 -0.998 1.00 3.21 H new ATOM 0 HG3 LYS A 35 -6.650 -12.952 -0.283 1.00 3.21 H new ATOM 0 HD2 LYS A 35 -6.600 -15.298 -1.137 1.00 75.52 H new ATOM 0 HD3 LYS A 35 -8.179 -15.065 -1.860 1.00 75.52 H new ATOM 0 HE2 LYS A 35 -7.245 -13.198 -3.253 1.00 32.14 H new ATOM 0 HE3 LYS A 35 -5.664 -13.484 -2.553 1.00 32.14 H new ATOM 0 HZ1 LYS A 35 -5.890 -14.577 -4.684 1.00 41.43 H new ATOM 0 HZ2 LYS A 35 -5.702 -15.734 -3.455 1.00 41.43 H new ATOM 0 HZ3 LYS A 35 -7.234 -15.457 -4.134 1.00 41.43 H new ATOM 585 N GLN A 36 -6.595 -12.992 3.217 1.00 24.53 N ATOM 586 CA GLN A 36 -5.368 -12.463 3.817 1.00 72.41 C ATOM 587 C GLN A 36 -4.282 -12.233 2.755 1.00 13.23 C ATOM 588 O GLN A 36 -3.833 -13.172 2.092 1.00 35.21 O ATOM 589 CB GLN A 36 -4.847 -13.412 4.906 1.00 54.44 C ATOM 590 CG GLN A 36 -3.598 -12.901 5.619 1.00 32.32 C ATOM 591 CD GLN A 36 -3.114 -13.844 6.705 1.00 14.22 C ATOM 592 OE1 GLN A 36 -3.278 -15.058 6.610 1.00 60.21 O ATOM 593 NE2 GLN A 36 -2.543 -13.300 7.762 1.00 2.53 N ATOM 0 H GLN A 36 -6.876 -13.907 3.569 1.00 24.53 H new ATOM 0 HA GLN A 36 -5.610 -11.502 4.271 1.00 72.41 H new ATOM 0 HB2 GLN A 36 -5.635 -13.573 5.642 1.00 54.44 H new ATOM 0 HB3 GLN A 36 -4.628 -14.381 4.457 1.00 54.44 H new ATOM 0 HG2 GLN A 36 -2.802 -12.756 4.889 1.00 32.32 H new ATOM 0 HG3 GLN A 36 -3.809 -11.926 6.058 1.00 32.32 H new ATOM 0 HE21 GLN A 36 -2.421 -12.289 7.812 1.00 2.53 H new ATOM 0 HE22 GLN A 36 -2.224 -13.891 8.530 1.00 2.53 H new ATOM 602 N GLY A 37 -3.883 -10.976 2.597 1.00 14.44 N ATOM 603 CA GLY A 37 -2.840 -10.621 1.649 1.00 24.53 C ATOM 604 C GLY A 37 -3.239 -9.477 0.726 1.00 43.22 C ATOM 605 O GLY A 37 -2.434 -8.586 0.461 1.00 73.35 O ATOM 0 H GLY A 37 -4.268 -10.186 3.115 1.00 14.44 H new ATOM 0 HA2 GLY A 37 -1.939 -10.342 2.196 1.00 24.53 H new ATOM 0 HA3 GLY A 37 -2.590 -11.495 1.048 1.00 24.53 H new ATOM 609 N ASP A 38 -4.496 -9.491 0.273 1.00 14.34 N ATOM 610 CA ASP A 38 -4.987 -8.529 -0.729 1.00 64.15 C ATOM 611 C ASP A 38 -4.626 -7.079 -0.364 1.00 32.35 C ATOM 612 O ASP A 38 -4.998 -6.591 0.706 1.00 3.23 O ATOM 613 CB ASP A 38 -6.514 -8.635 -0.860 1.00 65.43 C ATOM 614 CG ASP A 38 -7.006 -10.044 -1.137 1.00 12.11 C ATOM 615 OD1 ASP A 38 -6.210 -10.875 -1.634 1.00 73.30 O ATOM 616 OD2 ASP A 38 -8.195 -10.326 -0.848 1.00 1.54 O ATOM 0 H ASP A 38 -5.199 -10.161 0.584 1.00 14.34 H new ATOM 0 HA ASP A 38 -4.504 -8.779 -1.673 1.00 64.15 H new ATOM 0 HB2 ASP A 38 -6.975 -8.273 0.059 1.00 65.43 H new ATOM 0 HB3 ASP A 38 -6.847 -7.979 -1.664 1.00 65.43 H new ATOM 621 N PHE A 39 -3.908 -6.391 -1.255 1.00 3.23 N ATOM 622 CA PHE A 39 -3.548 -4.985 -1.025 1.00 53.05 C ATOM 623 C PHE A 39 -3.702 -4.133 -2.296 1.00 53.30 C ATOM 624 O PHE A 39 -3.516 -4.615 -3.417 1.00 30.14 O ATOM 625 CB PHE A 39 -2.105 -4.867 -0.493 1.00 62.15 C ATOM 626 CG PHE A 39 -1.027 -5.171 -1.514 1.00 63.41 C ATOM 627 CD1 PHE A 39 -0.630 -6.476 -1.762 1.00 5.43 C ATOM 628 CD2 PHE A 39 -0.403 -4.143 -2.215 1.00 24.00 C ATOM 629 CE1 PHE A 39 0.361 -6.753 -2.687 1.00 61.11 C ATOM 630 CE2 PHE A 39 0.587 -4.417 -3.141 1.00 1.24 C ATOM 631 CZ PHE A 39 0.969 -5.722 -3.376 1.00 64.12 C ATOM 0 H PHE A 39 -3.566 -6.778 -2.135 1.00 3.23 H new ATOM 0 HA PHE A 39 -4.241 -4.602 -0.276 1.00 53.05 H new ATOM 0 HB2 PHE A 39 -1.953 -3.856 -0.115 1.00 62.15 H new ATOM 0 HB3 PHE A 39 -1.987 -5.545 0.352 1.00 62.15 H new ATOM 0 HD1 PHE A 39 -1.100 -7.287 -1.226 1.00 5.43 H new ATOM 0 HD2 PHE A 39 -0.695 -3.119 -2.034 1.00 24.00 H new ATOM 0 HE1 PHE A 39 0.659 -7.775 -2.870 1.00 61.11 H new ATOM 0 HE2 PHE A 39 1.061 -3.610 -3.680 1.00 1.24 H new ATOM 0 HZ PHE A 39 1.743 -5.937 -4.098 1.00 64.12 H new ATOM 641 N LEU A 40 -4.046 -2.859 -2.107 1.00 13.12 N ATOM 642 CA LEU A 40 -4.095 -1.888 -3.204 1.00 62.32 C ATOM 643 C LEU A 40 -3.714 -0.487 -2.706 1.00 14.01 C ATOM 644 O LEU A 40 -3.900 -0.161 -1.532 1.00 64.22 O ATOM 645 CB LEU A 40 -5.493 -1.824 -3.841 1.00 3.55 C ATOM 646 CG LEU A 40 -6.604 -1.236 -2.949 1.00 34.41 C ATOM 647 CD1 LEU A 40 -7.756 -0.705 -3.796 1.00 21.43 C ATOM 648 CD2 LEU A 40 -7.114 -2.273 -1.951 1.00 1.44 C ATOM 0 H LEU A 40 -4.297 -2.472 -1.197 1.00 13.12 H new ATOM 0 HA LEU A 40 -3.379 -2.221 -3.955 1.00 62.32 H new ATOM 0 HB2 LEU A 40 -5.431 -1.230 -4.752 1.00 3.55 H new ATOM 0 HB3 LEU A 40 -5.784 -2.832 -4.137 1.00 3.55 H new ATOM 0 HG LEU A 40 -6.174 -0.405 -2.389 1.00 34.41 H new ATOM 0 HD11 LEU A 40 -8.528 -0.295 -3.145 1.00 21.43 H new ATOM 0 HD12 LEU A 40 -7.389 0.077 -4.460 1.00 21.43 H new ATOM 0 HD13 LEU A 40 -8.176 -1.517 -4.389 1.00 21.43 H new ATOM 0 HD21 LEU A 40 -7.897 -1.831 -1.335 1.00 1.44 H new ATOM 0 HD22 LEU A 40 -7.517 -3.130 -2.491 1.00 1.44 H new ATOM 0 HD23 LEU A 40 -6.292 -2.600 -1.314 1.00 1.44 H new ATOM 660 N VAL A 41 -3.188 0.339 -3.604 1.00 45.51 N ATOM 661 CA VAL A 41 -2.865 1.730 -3.279 1.00 65.23 C ATOM 662 C VAL A 41 -3.862 2.693 -3.942 1.00 24.54 C ATOM 663 O VAL A 41 -4.124 2.608 -5.144 1.00 73.25 O ATOM 664 CB VAL A 41 -1.421 2.089 -3.719 1.00 35.21 C ATOM 665 CG1 VAL A 41 -1.114 3.561 -3.440 1.00 33.40 C ATOM 666 CG2 VAL A 41 -0.411 1.184 -3.015 1.00 11.11 C ATOM 0 H VAL A 41 -2.975 0.072 -4.565 1.00 45.51 H new ATOM 0 HA VAL A 41 -2.936 1.836 -2.196 1.00 65.23 H new ATOM 0 HB VAL A 41 -1.341 1.928 -4.794 1.00 35.21 H new ATOM 0 HG11 VAL A 41 -0.096 3.787 -3.757 1.00 33.40 H new ATOM 0 HG12 VAL A 41 -1.814 4.189 -3.991 1.00 33.40 H new ATOM 0 HG13 VAL A 41 -1.213 3.757 -2.372 1.00 33.40 H new ATOM 0 HG21 VAL A 41 0.598 1.448 -3.334 1.00 11.11 H new ATOM 0 HG22 VAL A 41 -0.496 1.314 -1.936 1.00 11.11 H new ATOM 0 HG23 VAL A 41 -0.613 0.144 -3.272 1.00 11.11 H new ATOM 676 N ARG A 42 -4.431 3.597 -3.147 1.00 74.35 N ATOM 677 CA ARG A 42 -5.373 4.600 -3.658 1.00 32.04 C ATOM 678 C ARG A 42 -4.869 6.021 -3.364 1.00 24.20 C ATOM 679 O ARG A 42 -4.217 6.262 -2.344 1.00 3.53 O ATOM 680 CB ARG A 42 -6.764 4.400 -3.031 1.00 75.23 C ATOM 681 CG ARG A 42 -6.822 4.728 -1.538 1.00 4.21 C ATOM 682 CD ARG A 42 -8.219 4.530 -0.965 1.00 64.45 C ATOM 683 NE ARG A 42 -8.377 5.167 0.347 1.00 73.22 N ATOM 684 CZ ARG A 42 -9.174 6.181 0.580 1.00 62.03 C ATOM 685 NH1 ARG A 42 -9.843 6.731 -0.376 1.00 31.52 N ATOM 686 NH2 ARG A 42 -9.291 6.662 1.770 1.00 64.12 N ATOM 0 H ARG A 42 -4.258 3.658 -2.144 1.00 74.35 H new ATOM 0 HA ARG A 42 -5.448 4.473 -4.738 1.00 32.04 H new ATOM 0 HB2 ARG A 42 -7.483 5.026 -3.559 1.00 75.23 H new ATOM 0 HB3 ARG A 42 -7.073 3.365 -3.178 1.00 75.23 H new ATOM 0 HG2 ARG A 42 -6.116 4.095 -1.000 1.00 4.21 H new ATOM 0 HG3 ARG A 42 -6.508 5.760 -1.381 1.00 4.21 H new ATOM 0 HD2 ARG A 42 -8.955 4.940 -1.657 1.00 64.45 H new ATOM 0 HD3 ARG A 42 -8.425 3.463 -0.876 1.00 64.45 H new ATOM 0 HE ARG A 42 -7.833 4.798 1.127 1.00 73.22 H new ATOM 0 HH11 ARG A 42 -9.756 6.377 -1.329 1.00 31.52 H new ATOM 0 HH12 ARG A 42 -10.459 7.520 -0.179 1.00 31.52 H new ATOM 0 HH21 ARG A 42 -8.761 6.253 2.540 1.00 64.12 H new ATOM 0 HH22 ARG A 42 -9.914 7.451 1.942 1.00 64.12 H new ATOM 700 N GLU A 43 -5.171 6.958 -4.254 1.00 51.44 N ATOM 701 CA GLU A 43 -4.795 8.362 -4.059 1.00 13.30 C ATOM 702 C GLU A 43 -5.786 9.082 -3.130 1.00 71.45 C ATOM 703 O GLU A 43 -6.997 8.865 -3.206 1.00 73.02 O ATOM 704 CB GLU A 43 -4.727 9.075 -5.416 1.00 14.30 C ATOM 705 CG GLU A 43 -4.276 10.532 -5.337 1.00 4.24 C ATOM 706 CD GLU A 43 -4.180 11.190 -6.706 1.00 41.24 C ATOM 707 OE1 GLU A 43 -5.239 11.435 -7.326 1.00 13.01 O ATOM 708 OE2 GLU A 43 -3.053 11.456 -7.172 1.00 72.32 O ATOM 0 H GLU A 43 -5.676 6.776 -5.121 1.00 51.44 H new ATOM 0 HA GLU A 43 -3.813 8.390 -3.586 1.00 13.30 H new ATOM 0 HB2 GLU A 43 -4.043 8.530 -6.066 1.00 14.30 H new ATOM 0 HB3 GLU A 43 -5.711 9.036 -5.884 1.00 14.30 H new ATOM 0 HG2 GLU A 43 -4.976 11.092 -4.717 1.00 4.24 H new ATOM 0 HG3 GLU A 43 -3.305 10.582 -4.845 1.00 4.24 H new ATOM 715 N SER A 44 -5.263 9.930 -2.249 1.00 13.55 N ATOM 716 CA SER A 44 -6.105 10.728 -1.346 1.00 75.43 C ATOM 717 C SER A 44 -7.004 11.675 -2.154 1.00 4.31 C ATOM 718 O SER A 44 -6.510 12.532 -2.888 1.00 44.32 O ATOM 719 CB SER A 44 -5.228 11.529 -0.375 1.00 61.44 C ATOM 720 OG SER A 44 -6.001 12.215 0.597 1.00 51.22 O ATOM 0 H SER A 44 -4.261 10.086 -2.137 1.00 13.55 H new ATOM 0 HA SER A 44 -6.738 10.053 -0.771 1.00 75.43 H new ATOM 0 HB2 SER A 44 -4.532 10.855 0.125 1.00 61.44 H new ATOM 0 HB3 SER A 44 -4.630 12.247 -0.935 1.00 61.44 H new ATOM 0 HG SER A 44 -5.528 12.209 1.455 1.00 51.22 H new ATOM 794 N GLU A 50 -0.522 12.548 -1.282 1.00 1.41 N ATOM 795 CA GLU A 50 -0.860 11.612 -0.203 1.00 45.32 C ATOM 796 C GLU A 50 -1.596 10.390 -0.759 1.00 23.43 C ATOM 797 O GLU A 50 -2.560 10.522 -1.512 1.00 14.33 O ATOM 798 CB GLU A 50 -1.729 12.297 0.864 1.00 42.41 C ATOM 799 CG GLU A 50 -2.152 11.366 1.999 1.00 40.14 C ATOM 800 CD GLU A 50 -2.992 12.063 3.060 1.00 12.50 C ATOM 801 OE1 GLU A 50 -2.404 12.706 3.956 1.00 43.32 O ATOM 802 OE2 GLU A 50 -4.237 11.972 2.998 1.00 21.14 O ATOM 0 HA GLU A 50 0.072 11.286 0.259 1.00 45.32 H new ATOM 0 HB2 GLU A 50 -1.179 13.140 1.283 1.00 42.41 H new ATOM 0 HB3 GLU A 50 -2.621 12.704 0.388 1.00 42.41 H new ATOM 0 HG2 GLU A 50 -2.719 10.532 1.585 1.00 40.14 H new ATOM 0 HG3 GLU A 50 -1.262 10.945 2.467 1.00 40.14 H new ATOM 809 N TYR A 51 -1.132 9.203 -0.390 1.00 51.33 N ATOM 810 CA TYR A 51 -1.732 7.952 -0.856 1.00 11.13 C ATOM 811 C TYR A 51 -1.980 6.998 0.321 1.00 14.21 C ATOM 812 O TYR A 51 -1.254 7.023 1.314 1.00 25.00 O ATOM 813 CB TYR A 51 -0.825 7.289 -1.906 1.00 74.53 C ATOM 814 CG TYR A 51 -0.748 8.045 -3.223 1.00 4.52 C ATOM 815 CD1 TYR A 51 -0.081 9.264 -3.319 1.00 51.43 C ATOM 816 CD2 TYR A 51 -1.349 7.541 -4.367 1.00 40.21 C ATOM 817 CE1 TYR A 51 -0.016 9.952 -4.517 1.00 24.21 C ATOM 818 CE2 TYR A 51 -1.288 8.224 -5.566 1.00 24.22 C ATOM 819 CZ TYR A 51 -0.622 9.428 -5.634 1.00 32.20 C ATOM 820 OH TYR A 51 -0.561 10.111 -6.829 1.00 33.22 O ATOM 0 H TYR A 51 -0.336 9.077 0.235 1.00 51.33 H new ATOM 0 HA TYR A 51 -2.693 8.179 -1.317 1.00 11.13 H new ATOM 0 HB2 TYR A 51 0.180 7.193 -1.495 1.00 74.53 H new ATOM 0 HB3 TYR A 51 -1.188 6.279 -2.099 1.00 74.53 H new ATOM 0 HD1 TYR A 51 0.394 9.679 -2.442 1.00 51.43 H new ATOM 0 HD2 TYR A 51 -1.874 6.598 -4.319 1.00 40.21 H new ATOM 0 HE1 TYR A 51 0.508 10.895 -4.575 1.00 24.21 H new ATOM 0 HE2 TYR A 51 -1.761 7.816 -6.447 1.00 24.22 H new ATOM 0 HH TYR A 51 -1.405 10.585 -6.978 1.00 33.22 H new ATOM 830 N VAL A 52 -3.017 6.174 0.219 1.00 10.31 N ATOM 831 CA VAL A 52 -3.376 5.247 1.298 1.00 41.34 C ATOM 832 C VAL A 52 -3.305 3.781 0.837 1.00 0.43 C ATOM 833 O VAL A 52 -3.942 3.394 -0.145 1.00 0.25 O ATOM 834 CB VAL A 52 -4.800 5.534 1.840 1.00 31.42 C ATOM 835 CG1 VAL A 52 -5.141 4.598 3.002 1.00 62.24 C ATOM 836 CG2 VAL A 52 -4.932 6.995 2.268 1.00 25.11 C ATOM 0 H VAL A 52 -3.627 6.125 -0.597 1.00 10.31 H new ATOM 0 HA VAL A 52 -2.648 5.405 2.094 1.00 41.34 H new ATOM 0 HB VAL A 52 -5.511 5.348 1.035 1.00 31.42 H new ATOM 0 HG11 VAL A 52 -6.145 4.819 3.365 1.00 62.24 H new ATOM 0 HG12 VAL A 52 -5.098 3.564 2.661 1.00 62.24 H new ATOM 0 HG13 VAL A 52 -4.423 4.744 3.809 1.00 62.24 H new ATOM 0 HG21 VAL A 52 -5.939 7.174 2.645 1.00 25.11 H new ATOM 0 HG22 VAL A 52 -4.207 7.211 3.053 1.00 25.11 H new ATOM 0 HG23 VAL A 52 -4.744 7.643 1.412 1.00 25.11 H new ATOM 846 N LEU A 53 -2.526 2.977 1.556 1.00 43.13 N ATOM 847 CA LEU A 53 -2.414 1.541 1.280 1.00 41.03 C ATOM 848 C LEU A 53 -3.498 0.756 2.036 1.00 3.33 C ATOM 849 O LEU A 53 -3.586 0.818 3.263 1.00 62.13 O ATOM 850 CB LEU A 53 -1.018 1.031 1.679 1.00 71.14 C ATOM 851 CG LEU A 53 -0.777 -0.479 1.483 1.00 31.13 C ATOM 852 CD1 LEU A 53 -0.890 -0.860 0.009 1.00 11.24 C ATOM 853 CD2 LEU A 53 0.586 -0.884 2.051 1.00 65.12 C ATOM 0 H LEU A 53 -1.958 3.296 2.341 1.00 43.13 H new ATOM 0 HA LEU A 53 -2.557 1.385 0.211 1.00 41.03 H new ATOM 0 HB2 LEU A 53 -0.273 1.577 1.101 1.00 71.14 H new ATOM 0 HB3 LEU A 53 -0.849 1.274 2.728 1.00 71.14 H new ATOM 0 HG LEU A 53 -1.548 -1.023 2.029 1.00 31.13 H new ATOM 0 HD11 LEU A 53 -0.716 -1.930 -0.105 1.00 11.24 H new ATOM 0 HD12 LEU A 53 -1.887 -0.614 -0.355 1.00 11.24 H new ATOM 0 HD13 LEU A 53 -0.147 -0.309 -0.567 1.00 11.24 H new ATOM 0 HD21 LEU A 53 0.738 -1.953 1.904 1.00 65.12 H new ATOM 0 HD22 LEU A 53 1.373 -0.331 1.538 1.00 65.12 H new ATOM 0 HD23 LEU A 53 0.618 -0.656 3.116 1.00 65.12 H new ATOM 865 N SER A 54 -4.326 0.026 1.297 1.00 72.34 N ATOM 866 CA SER A 54 -5.405 -0.771 1.894 1.00 13.31 C ATOM 867 C SER A 54 -5.123 -2.270 1.737 1.00 73.32 C ATOM 868 O SER A 54 -5.250 -2.820 0.645 1.00 55.22 O ATOM 869 CB SER A 54 -6.748 -0.416 1.240 1.00 20.44 C ATOM 870 OG SER A 54 -7.827 -1.123 1.839 1.00 62.14 O ATOM 0 H SER A 54 -4.275 -0.034 0.280 1.00 72.34 H new ATOM 0 HA SER A 54 -5.455 -0.539 2.958 1.00 13.31 H new ATOM 0 HB2 SER A 54 -6.923 0.656 1.326 1.00 20.44 H new ATOM 0 HB3 SER A 54 -6.707 -0.648 0.176 1.00 20.44 H new ATOM 0 HG SER A 54 -8.478 -1.371 1.150 1.00 62.14 H new ATOM 876 N VAL A 55 -4.729 -2.922 2.826 1.00 72.40 N ATOM 877 CA VAL A 55 -4.397 -4.351 2.798 1.00 71.10 C ATOM 878 C VAL A 55 -5.244 -5.147 3.809 1.00 5.30 C ATOM 879 O VAL A 55 -5.599 -4.643 4.876 1.00 51.14 O ATOM 880 CB VAL A 55 -2.884 -4.578 3.072 1.00 53.34 C ATOM 881 CG1 VAL A 55 -2.479 -3.989 4.418 1.00 51.12 C ATOM 882 CG2 VAL A 55 -2.526 -6.063 2.999 1.00 12.14 C ATOM 0 H VAL A 55 -4.630 -2.487 3.743 1.00 72.40 H new ATOM 0 HA VAL A 55 -4.629 -4.716 1.798 1.00 71.10 H new ATOM 0 HB VAL A 55 -2.324 -4.060 2.293 1.00 53.34 H new ATOM 0 HG11 VAL A 55 -1.416 -4.161 4.585 1.00 51.12 H new ATOM 0 HG12 VAL A 55 -2.678 -2.917 4.421 1.00 51.12 H new ATOM 0 HG13 VAL A 55 -3.053 -4.467 5.212 1.00 51.12 H new ATOM 0 HG21 VAL A 55 -1.461 -6.191 3.195 1.00 12.14 H new ATOM 0 HG22 VAL A 55 -3.101 -6.613 3.744 1.00 12.14 H new ATOM 0 HG23 VAL A 55 -2.761 -6.445 2.006 1.00 12.14 H new ATOM 892 N TYR A 56 -5.574 -6.385 3.459 1.00 34.13 N ATOM 893 CA TYR A 56 -6.429 -7.242 4.290 1.00 70.42 C ATOM 894 C TYR A 56 -5.611 -8.343 4.980 1.00 23.31 C ATOM 895 O TYR A 56 -4.889 -9.087 4.326 1.00 32.53 O ATOM 896 CB TYR A 56 -7.507 -7.879 3.408 1.00 62.14 C ATOM 897 CG TYR A 56 -8.634 -8.552 4.169 1.00 50.31 C ATOM 898 CD1 TYR A 56 -9.659 -7.802 4.731 1.00 15.23 C ATOM 899 CD2 TYR A 56 -8.689 -9.935 4.305 1.00 21.10 C ATOM 900 CE1 TYR A 56 -10.704 -8.407 5.397 1.00 54.11 C ATOM 901 CE2 TYR A 56 -9.730 -10.546 4.978 1.00 64.52 C ATOM 902 CZ TYR A 56 -10.734 -9.777 5.520 1.00 62.55 C ATOM 903 OH TYR A 56 -11.792 -10.378 6.170 1.00 31.20 O ATOM 0 H TYR A 56 -5.260 -6.827 2.595 1.00 34.13 H new ATOM 0 HA TYR A 56 -6.889 -6.628 5.064 1.00 70.42 H new ATOM 0 HB2 TYR A 56 -7.931 -7.109 2.763 1.00 62.14 H new ATOM 0 HB3 TYR A 56 -7.036 -8.616 2.757 1.00 62.14 H new ATOM 0 HD1 TYR A 56 -9.637 -6.726 4.645 1.00 15.23 H new ATOM 0 HD2 TYR A 56 -7.905 -10.542 3.877 1.00 21.10 H new ATOM 0 HE1 TYR A 56 -11.496 -7.807 5.821 1.00 54.11 H new ATOM 0 HE2 TYR A 56 -9.755 -11.621 5.078 1.00 64.52 H new ATOM 0 HH TYR A 56 -11.665 -11.350 6.172 1.00 31.20 H new ATOM 913 N SER A 57 -5.715 -8.445 6.304 1.00 13.43 N ATOM 914 CA SER A 57 -5.012 -9.507 7.046 1.00 15.32 C ATOM 915 C SER A 57 -5.805 -9.960 8.278 1.00 23.54 C ATOM 916 O SER A 57 -6.272 -9.132 9.061 1.00 75.10 O ATOM 917 CB SER A 57 -3.613 -9.040 7.482 1.00 63.22 C ATOM 918 OG SER A 57 -2.858 -10.115 8.028 1.00 31.23 O ATOM 0 H SER A 57 -6.270 -7.817 6.885 1.00 13.43 H new ATOM 0 HA SER A 57 -4.914 -10.354 6.368 1.00 15.32 H new ATOM 0 HB2 SER A 57 -3.085 -8.619 6.627 1.00 63.22 H new ATOM 0 HB3 SER A 57 -3.706 -8.245 8.222 1.00 63.22 H new ATOM 0 HG SER A 57 -3.231 -10.368 8.898 1.00 31.23 H new ATOM 924 N ASP A 58 -5.961 -11.280 8.428 1.00 3.42 N ATOM 925 CA ASP A 58 -6.583 -11.876 9.621 1.00 52.03 C ATOM 926 C ASP A 58 -7.992 -11.314 9.891 1.00 11.24 C ATOM 927 O ASP A 58 -8.375 -11.082 11.042 1.00 22.13 O ATOM 928 CB ASP A 58 -5.670 -11.662 10.836 1.00 31.53 C ATOM 929 CG ASP A 58 -4.297 -12.278 10.629 1.00 54.44 C ATOM 930 OD1 ASP A 58 -4.191 -13.523 10.667 1.00 62.41 O ATOM 931 OD2 ASP A 58 -3.317 -11.525 10.427 1.00 52.21 O ATOM 0 H ASP A 58 -5.663 -11.963 7.732 1.00 3.42 H new ATOM 0 HA ASP A 58 -6.704 -12.944 9.438 1.00 52.03 H new ATOM 0 HB2 ASP A 58 -5.564 -10.594 11.026 1.00 31.53 H new ATOM 0 HB3 ASP A 58 -6.134 -12.099 11.720 1.00 31.53 H new ATOM 936 N GLY A 59 -8.760 -11.112 8.823 1.00 22.35 N ATOM 937 CA GLY A 59 -10.132 -10.626 8.956 1.00 74.33 C ATOM 938 C GLY A 59 -10.239 -9.113 9.145 1.00 21.44 C ATOM 939 O GLY A 59 -11.341 -8.570 9.216 1.00 3.33 O ATOM 0 H GLY A 59 -8.459 -11.276 7.862 1.00 22.35 H new ATOM 0 HA2 GLY A 59 -10.696 -10.912 8.068 1.00 74.33 H new ATOM 0 HA3 GLY A 59 -10.602 -11.122 9.805 1.00 74.33 H new ATOM 943 N GLN A 60 -9.099 -8.427 9.216 1.00 24.13 N ATOM 944 CA GLN A 60 -9.076 -6.979 9.475 1.00 75.23 C ATOM 945 C GLN A 60 -8.617 -6.172 8.247 1.00 23.12 C ATOM 946 O GLN A 60 -7.713 -6.583 7.516 1.00 51.42 O ATOM 947 CB GLN A 60 -8.138 -6.680 10.652 1.00 5.23 C ATOM 948 CG GLN A 60 -8.516 -7.400 11.938 1.00 63.33 C ATOM 949 CD GLN A 60 -7.492 -7.191 13.037 1.00 4.30 C ATOM 950 OE1 GLN A 60 -7.586 -6.258 13.825 1.00 22.45 O ATOM 951 NE2 GLN A 60 -6.496 -8.053 13.087 1.00 51.10 N ATOM 0 H GLN A 60 -8.177 -8.846 9.098 1.00 24.13 H new ATOM 0 HA GLN A 60 -10.096 -6.676 9.711 1.00 75.23 H new ATOM 0 HB2 GLN A 60 -7.122 -6.961 10.375 1.00 5.23 H new ATOM 0 HB3 GLN A 60 -8.133 -5.606 10.836 1.00 5.23 H new ATOM 0 HG2 GLN A 60 -9.489 -7.045 12.278 1.00 63.33 H new ATOM 0 HG3 GLN A 60 -8.618 -8.467 11.738 1.00 63.33 H new ATOM 0 HE21 GLN A 60 -6.450 -8.818 12.414 1.00 51.10 H new ATOM 0 HE22 GLN A 60 -5.772 -7.955 13.798 1.00 51.10 H new ATOM 960 N ARG A 61 -9.249 -5.017 8.035 1.00 41.53 N ATOM 961 CA ARG A 61 -8.799 -4.061 7.021 1.00 43.12 C ATOM 962 C ARG A 61 -7.666 -3.175 7.570 1.00 53.34 C ATOM 963 O ARG A 61 -7.906 -2.254 8.353 1.00 44.14 O ATOM 964 CB ARG A 61 -9.969 -3.171 6.553 1.00 4.20 C ATOM 965 CG ARG A 61 -10.705 -3.681 5.315 1.00 64.01 C ATOM 966 CD ARG A 61 -11.530 -4.934 5.580 1.00 10.43 C ATOM 967 NE ARG A 61 -12.221 -5.381 4.368 1.00 32.41 N ATOM 968 CZ ARG A 61 -13.114 -6.334 4.329 1.00 22.31 C ATOM 969 NH1 ARG A 61 -13.464 -6.964 5.404 1.00 40.04 N ATOM 970 NH2 ARG A 61 -13.656 -6.651 3.202 1.00 71.20 N ATOM 0 H ARG A 61 -10.076 -4.720 8.553 1.00 41.53 H new ATOM 0 HA ARG A 61 -8.423 -4.631 6.171 1.00 43.12 H new ATOM 0 HB2 ARG A 61 -10.684 -3.075 7.370 1.00 4.20 H new ATOM 0 HB3 ARG A 61 -9.587 -2.172 6.345 1.00 4.20 H new ATOM 0 HG2 ARG A 61 -11.361 -2.895 4.941 1.00 64.01 H new ATOM 0 HG3 ARG A 61 -9.979 -3.891 4.530 1.00 64.01 H new ATOM 0 HD2 ARG A 61 -10.880 -5.729 5.945 1.00 10.43 H new ATOM 0 HD3 ARG A 61 -12.260 -4.733 6.364 1.00 10.43 H new ATOM 0 HE ARG A 61 -11.988 -4.915 3.491 1.00 32.41 H new ATOM 0 HH11 ARG A 61 -13.041 -6.719 6.299 1.00 40.04 H new ATOM 0 HH12 ARG A 61 -14.163 -7.706 5.356 1.00 40.04 H new ATOM 0 HH21 ARG A 61 -13.387 -6.159 2.350 1.00 71.20 H new ATOM 0 HH22 ARG A 61 -14.354 -7.394 3.163 1.00 71.20 H new ATOM 984 N ARG A 62 -6.436 -3.458 7.159 1.00 31.43 N ATOM 985 CA ARG A 62 -5.279 -2.663 7.577 1.00 74.41 C ATOM 986 C ARG A 62 -5.027 -1.503 6.602 1.00 31.31 C ATOM 987 O ARG A 62 -4.676 -1.716 5.442 1.00 11.01 O ATOM 988 CB ARG A 62 -4.031 -3.555 7.679 1.00 12.42 C ATOM 989 CG ARG A 62 -4.118 -4.644 8.746 1.00 53.11 C ATOM 990 CD ARG A 62 -4.308 -4.049 10.137 1.00 25.04 C ATOM 991 NE ARG A 62 -4.260 -5.059 11.195 1.00 41.45 N ATOM 992 CZ ARG A 62 -4.774 -4.888 12.385 1.00 2.12 C ATOM 993 NH1 ARG A 62 -5.481 -3.837 12.656 1.00 53.12 N ATOM 994 NH2 ARG A 62 -4.616 -5.786 13.298 1.00 11.41 N ATOM 0 H ARG A 62 -6.210 -4.233 6.535 1.00 31.43 H new ATOM 0 HA ARG A 62 -5.493 -2.240 8.559 1.00 74.41 H new ATOM 0 HB2 ARG A 62 -3.855 -4.025 6.711 1.00 12.42 H new ATOM 0 HB3 ARG A 62 -3.166 -2.926 7.889 1.00 12.42 H new ATOM 0 HG2 ARG A 62 -4.948 -5.312 8.518 1.00 53.11 H new ATOM 0 HG3 ARG A 62 -3.210 -5.246 8.728 1.00 53.11 H new ATOM 0 HD2 ARG A 62 -3.534 -3.303 10.317 1.00 25.04 H new ATOM 0 HD3 ARG A 62 -5.266 -3.531 10.178 1.00 25.04 H new ATOM 0 HE ARG A 62 -3.800 -5.946 10.993 1.00 41.45 H new ATOM 0 HH11 ARG A 62 -5.642 -3.131 11.937 1.00 53.12 H new ATOM 0 HH12 ARG A 62 -5.877 -3.715 13.588 1.00 53.12 H new ATOM 0 HH21 ARG A 62 -4.088 -6.634 13.093 1.00 11.41 H new ATOM 0 HH22 ARG A 62 -5.019 -5.648 14.225 1.00 11.41 H new ATOM 1008 N HIS A 63 -5.224 -0.273 7.075 1.00 41.40 N ATOM 1009 CA HIS A 63 -5.042 0.918 6.236 1.00 44.03 C ATOM 1010 C HIS A 63 -3.828 1.742 6.687 1.00 4.45 C ATOM 1011 O HIS A 63 -3.793 2.258 7.805 1.00 33.54 O ATOM 1012 CB HIS A 63 -6.304 1.787 6.275 1.00 50.45 C ATOM 1013 CG HIS A 63 -7.530 1.082 5.786 1.00 2.44 C ATOM 1014 ND1 HIS A 63 -7.889 1.038 4.458 1.00 0.12 N ATOM 1015 CD2 HIS A 63 -8.489 0.396 6.452 1.00 24.02 C ATOM 1016 CE1 HIS A 63 -9.008 0.363 4.326 1.00 4.41 C ATOM 1017 NE2 HIS A 63 -9.398 -0.040 5.518 1.00 63.14 N ATOM 0 H HIS A 63 -5.509 -0.072 8.033 1.00 41.40 H new ATOM 0 HA HIS A 63 -4.863 0.583 5.215 1.00 44.03 H new ATOM 0 HB2 HIS A 63 -6.472 2.124 7.298 1.00 50.45 H new ATOM 0 HB3 HIS A 63 -6.141 2.678 5.669 1.00 50.45 H new ATOM 0 HD1 HIS A 63 -7.366 1.464 3.693 1.00 0.12 H new ATOM 0 HD2 HIS A 63 -8.532 0.224 7.517 1.00 24.02 H new ATOM 0 HE1 HIS A 63 -9.522 0.171 3.396 1.00 4.41 H new ATOM 1026 N PHE A 64 -2.840 1.874 5.806 1.00 32.11 N ATOM 1027 CA PHE A 64 -1.619 2.624 6.117 1.00 63.21 C ATOM 1028 C PHE A 64 -1.506 3.886 5.250 1.00 70.05 C ATOM 1029 O PHE A 64 -1.467 3.807 4.021 1.00 21.12 O ATOM 1030 CB PHE A 64 -0.388 1.732 5.906 1.00 63.13 C ATOM 1031 CG PHE A 64 -0.446 0.434 6.671 1.00 64.12 C ATOM 1032 CD1 PHE A 64 -0.324 0.423 8.053 1.00 65.03 C ATOM 1033 CD2 PHE A 64 -0.621 -0.773 6.009 1.00 23.25 C ATOM 1034 CE1 PHE A 64 -0.380 -0.765 8.755 1.00 72.32 C ATOM 1035 CE2 PHE A 64 -0.675 -1.961 6.710 1.00 44.15 C ATOM 1036 CZ PHE A 64 -0.553 -1.957 8.083 1.00 22.10 C ATOM 0 H PHE A 64 -2.858 1.472 4.869 1.00 32.11 H new ATOM 0 HA PHE A 64 -1.668 2.933 7.161 1.00 63.21 H new ATOM 0 HB2 PHE A 64 -0.286 1.514 4.843 1.00 63.13 H new ATOM 0 HB3 PHE A 64 0.504 2.281 6.206 1.00 63.13 H new ATOM 0 HD1 PHE A 64 -0.184 1.352 8.585 1.00 65.03 H new ATOM 0 HD2 PHE A 64 -0.716 -0.783 4.933 1.00 23.25 H new ATOM 0 HE1 PHE A 64 -0.288 -0.761 9.831 1.00 72.32 H new ATOM 0 HE2 PHE A 64 -0.813 -2.893 6.183 1.00 44.15 H new ATOM 0 HZ PHE A 64 -0.593 -2.886 8.632 1.00 22.10 H new ATOM 1046 N ILE A 65 -1.460 5.047 5.895 1.00 71.40 N ATOM 1047 CA ILE A 65 -1.324 6.321 5.184 1.00 50.53 C ATOM 1048 C ILE A 65 0.147 6.608 4.847 1.00 3.12 C ATOM 1049 O ILE A 65 1.021 6.476 5.701 1.00 75.25 O ATOM 1050 CB ILE A 65 -1.887 7.494 6.026 1.00 50.24 C ATOM 1051 CG1 ILE A 65 -3.344 7.210 6.432 1.00 20.34 C ATOM 1052 CG2 ILE A 65 -1.786 8.814 5.258 1.00 14.43 C ATOM 1053 CD1 ILE A 65 -3.943 8.268 7.341 1.00 1.13 C ATOM 0 H ILE A 65 -1.515 5.136 6.910 1.00 71.40 H new ATOM 0 HA ILE A 65 -1.896 6.236 4.260 1.00 50.53 H new ATOM 0 HB ILE A 65 -1.287 7.586 6.932 1.00 50.24 H new ATOM 0 HG12 ILE A 65 -3.953 7.130 5.532 1.00 20.34 H new ATOM 0 HG13 ILE A 65 -3.390 6.244 6.935 1.00 20.34 H new ATOM 0 HG21 ILE A 65 -2.187 9.622 5.869 1.00 14.43 H new ATOM 0 HG22 ILE A 65 -0.741 9.020 5.024 1.00 14.43 H new ATOM 0 HG23 ILE A 65 -2.357 8.741 4.333 1.00 14.43 H new ATOM 0 HD11 ILE A 65 -4.971 7.999 7.584 1.00 1.13 H new ATOM 0 HD12 ILE A 65 -3.358 8.333 8.259 1.00 1.13 H new ATOM 0 HD13 ILE A 65 -3.931 9.233 6.834 1.00 1.13 H new ATOM 1065 N ILE A 66 0.412 7.004 3.604 1.00 25.35 N ATOM 1066 CA ILE A 66 1.773 7.327 3.166 1.00 52.53 C ATOM 1067 C ILE A 66 2.135 8.791 3.475 1.00 52.32 C ATOM 1068 O ILE A 66 1.495 9.721 2.969 1.00 12.13 O ATOM 1069 CB ILE A 66 1.951 7.077 1.644 1.00 2.43 C ATOM 1070 CG1 ILE A 66 1.637 5.612 1.298 1.00 12.52 C ATOM 1071 CG2 ILE A 66 3.367 7.447 1.203 1.00 33.53 C ATOM 1072 CD1 ILE A 66 1.775 5.282 -0.176 1.00 64.33 C ATOM 0 H ILE A 66 -0.298 7.110 2.879 1.00 25.35 H new ATOM 0 HA ILE A 66 2.441 6.669 3.721 1.00 52.53 H new ATOM 0 HB ILE A 66 1.249 7.712 1.104 1.00 2.43 H new ATOM 0 HG12 ILE A 66 2.303 4.964 1.868 1.00 12.52 H new ATOM 0 HG13 ILE A 66 0.620 5.384 1.617 1.00 12.52 H new ATOM 0 HG21 ILE A 66 3.474 7.265 0.134 1.00 33.53 H new ATOM 0 HG22 ILE A 66 3.550 8.501 1.412 1.00 33.53 H new ATOM 0 HG23 ILE A 66 4.089 6.839 1.748 1.00 33.53 H new ATOM 0 HD11 ILE A 66 1.537 4.231 -0.337 1.00 64.33 H new ATOM 0 HD12 ILE A 66 1.089 5.902 -0.753 1.00 64.33 H new ATOM 0 HD13 ILE A 66 2.798 5.476 -0.498 1.00 64.33 H new ATOM 1084 N GLN A 67 3.152 8.990 4.314 1.00 24.23 N ATOM 1085 CA GLN A 67 3.668 10.335 4.600 1.00 75.32 C ATOM 1086 C GLN A 67 4.818 10.690 3.649 1.00 22.15 C ATOM 1087 O GLN A 67 5.774 9.923 3.501 1.00 4.22 O ATOM 1088 CB GLN A 67 4.148 10.456 6.057 1.00 12.01 C ATOM 1089 CG GLN A 67 3.051 10.275 7.104 1.00 54.45 C ATOM 1090 CD GLN A 67 2.574 8.839 7.224 1.00 41.35 C ATOM 1091 OE1 GLN A 67 3.334 7.901 7.006 1.00 52.12 O ATOM 1092 NE2 GLN A 67 1.321 8.654 7.583 1.00 41.12 N ATOM 0 H GLN A 67 3.636 8.240 4.808 1.00 24.23 H new ATOM 0 HA GLN A 67 2.847 11.035 4.447 1.00 75.32 H new ATOM 0 HB2 GLN A 67 4.926 9.713 6.232 1.00 12.01 H new ATOM 0 HB3 GLN A 67 4.606 11.436 6.195 1.00 12.01 H new ATOM 0 HG2 GLN A 67 3.422 10.610 8.072 1.00 54.45 H new ATOM 0 HG3 GLN A 67 2.205 10.913 6.849 1.00 54.45 H new ATOM 0 HE21 GLN A 67 0.716 9.457 7.756 1.00 41.12 H new ATOM 0 HE22 GLN A 67 0.955 7.708 7.688 1.00 41.12 H new ATOM 1101 N TYR A 68 4.725 11.851 3.011 1.00 12.41 N ATOM 1102 CA TYR A 68 5.767 12.312 2.094 1.00 3.13 C ATOM 1103 C TYR A 68 6.747 13.246 2.827 1.00 35.23 C ATOM 1104 O TYR A 68 6.489 14.442 2.988 1.00 64.53 O ATOM 1105 CB TYR A 68 5.122 13.023 0.893 1.00 1.44 C ATOM 1106 CG TYR A 68 6.082 13.323 -0.246 1.00 51.41 C ATOM 1107 CD1 TYR A 68 6.917 12.332 -0.753 1.00 14.20 C ATOM 1108 CD2 TYR A 68 6.137 14.588 -0.829 1.00 51.33 C ATOM 1109 CE1 TYR A 68 7.774 12.591 -1.802 1.00 43.12 C ATOM 1110 CE2 TYR A 68 6.997 14.851 -1.877 1.00 41.11 C ATOM 1111 CZ TYR A 68 7.815 13.849 -2.359 1.00 20.31 C ATOM 1112 OH TYR A 68 8.670 14.103 -3.409 1.00 44.41 O ATOM 0 H TYR A 68 3.939 12.493 3.110 1.00 12.41 H new ATOM 0 HA TYR A 68 6.331 11.454 1.728 1.00 3.13 H new ATOM 0 HB2 TYR A 68 4.309 12.405 0.514 1.00 1.44 H new ATOM 0 HB3 TYR A 68 4.679 13.958 1.235 1.00 1.44 H new ATOM 0 HD1 TYR A 68 6.894 11.344 -0.318 1.00 14.20 H new ATOM 0 HD2 TYR A 68 5.498 15.374 -0.456 1.00 51.33 H new ATOM 0 HE1 TYR A 68 8.412 11.808 -2.186 1.00 43.12 H new ATOM 0 HE2 TYR A 68 7.029 15.836 -2.318 1.00 41.11 H new ATOM 0 HH TYR A 68 8.577 15.038 -3.688 1.00 44.41 H new ATOM 1122 N VAL A 69 7.866 12.684 3.281 1.00 13.10 N ATOM 1123 CA VAL A 69 8.860 13.430 4.067 1.00 2.34 C ATOM 1124 C VAL A 69 10.272 13.226 3.493 1.00 52.42 C ATOM 1125 O VAL A 69 10.619 12.120 3.071 1.00 0.45 O ATOM 1126 CB VAL A 69 8.837 12.989 5.558 1.00 1.31 C ATOM 1127 CG1 VAL A 69 9.852 13.777 6.385 1.00 64.13 C ATOM 1128 CG2 VAL A 69 7.432 13.132 6.149 1.00 21.41 C ATOM 0 H VAL A 69 8.112 11.708 3.119 1.00 13.10 H new ATOM 0 HA VAL A 69 8.600 14.487 4.009 1.00 2.34 H new ATOM 0 HB VAL A 69 9.118 11.937 5.595 1.00 1.31 H new ATOM 0 HG11 VAL A 69 9.812 13.446 7.423 1.00 64.13 H new ATOM 0 HG12 VAL A 69 10.853 13.608 5.989 1.00 64.13 H new ATOM 0 HG13 VAL A 69 9.616 14.840 6.334 1.00 64.13 H new ATOM 0 HG21 VAL A 69 7.442 12.817 7.193 1.00 21.41 H new ATOM 0 HG22 VAL A 69 7.116 14.173 6.087 1.00 21.41 H new ATOM 0 HG23 VAL A 69 6.736 12.507 5.589 1.00 21.41 H new ATOM 1138 N ASP A 70 11.077 14.295 3.474 1.00 0.14 N ATOM 1139 CA ASP A 70 12.427 14.258 2.881 1.00 24.44 C ATOM 1140 C ASP A 70 12.371 13.919 1.380 1.00 24.22 C ATOM 1141 O ASP A 70 13.340 13.408 0.819 1.00 32.02 O ATOM 1142 CB ASP A 70 13.320 13.234 3.606 1.00 32.22 C ATOM 1143 CG ASP A 70 13.470 13.517 5.088 1.00 43.43 C ATOM 1144 OD1 ASP A 70 14.025 14.575 5.445 1.00 64.51 O ATOM 1145 OD2 ASP A 70 13.056 12.670 5.908 1.00 51.31 O ATOM 0 H ASP A 70 10.819 15.202 3.863 1.00 0.14 H new ATOM 0 HA ASP A 70 12.857 15.253 2.999 1.00 24.44 H new ATOM 0 HB2 ASP A 70 12.900 12.237 3.474 1.00 32.22 H new ATOM 0 HB3 ASP A 70 14.306 13.229 3.142 1.00 32.22 H new ATOM 1150 N ASN A 71 11.241 14.233 0.736 1.00 25.40 N ATOM 1151 CA ASN A 71 10.996 13.850 -0.663 1.00 10.02 C ATOM 1152 C ASN A 71 10.906 12.321 -0.812 1.00 1.15 C ATOM 1153 O ASN A 71 11.083 11.778 -1.902 1.00 11.51 O ATOM 1154 CB ASN A 71 12.083 14.415 -1.593 1.00 25.23 C ATOM 1155 CG ASN A 71 12.094 15.933 -1.613 1.00 62.02 C ATOM 1156 OD1 ASN A 71 11.429 16.561 -2.434 1.00 53.50 O ATOM 1157 ND2 ASN A 71 12.842 16.538 -0.715 1.00 71.03 N ATOM 0 H ASN A 71 10.476 14.755 1.163 1.00 25.40 H new ATOM 0 HA ASN A 71 10.038 14.280 -0.956 1.00 10.02 H new ATOM 0 HB2 ASN A 71 13.059 14.051 -1.270 1.00 25.23 H new ATOM 0 HB3 ASN A 71 11.922 14.042 -2.604 1.00 25.23 H new ATOM 0 HD21 ASN A 71 12.881 17.557 -0.687 1.00 71.03 H new ATOM 0 HD22 ASN A 71 13.382 15.988 -0.047 1.00 71.03 H new ATOM 1164 N MET A 72 10.594 11.635 0.288 1.00 30.13 N ATOM 1165 CA MET A 72 10.475 10.174 0.291 1.00 24.22 C ATOM 1166 C MET A 72 9.120 9.719 0.863 1.00 34.43 C ATOM 1167 O MET A 72 8.684 10.191 1.918 1.00 65.11 O ATOM 1168 CB MET A 72 11.617 9.550 1.113 1.00 73.10 C ATOM 1169 CG MET A 72 13.009 9.964 0.653 1.00 3.50 C ATOM 1170 SD MET A 72 14.322 9.190 1.622 1.00 12.02 S ATOM 1171 CE MET A 72 15.769 9.987 0.924 1.00 4.21 C ATOM 0 H MET A 72 10.418 12.069 1.194 1.00 30.13 H new ATOM 0 HA MET A 72 10.540 9.836 -0.743 1.00 24.22 H new ATOM 0 HB2 MET A 72 11.493 9.830 2.159 1.00 73.10 H new ATOM 0 HB3 MET A 72 11.537 8.464 1.062 1.00 73.10 H new ATOM 0 HG2 MET A 72 13.134 9.700 -0.397 1.00 3.50 H new ATOM 0 HG3 MET A 72 13.103 11.048 0.722 1.00 3.50 H new ATOM 0 HE1 MET A 72 16.665 9.613 1.420 1.00 4.21 H new ATOM 0 HE2 MET A 72 15.826 9.768 -0.142 1.00 4.21 H new ATOM 0 HE3 MET A 72 15.697 11.065 1.070 1.00 4.21 H new ATOM 1181 N TYR A 73 8.466 8.794 0.165 1.00 4.43 N ATOM 1182 CA TYR A 73 7.202 8.208 0.626 1.00 64.34 C ATOM 1183 C TYR A 73 7.474 7.075 1.628 1.00 72.42 C ATOM 1184 O TYR A 73 8.236 6.154 1.333 1.00 33.12 O ATOM 1185 CB TYR A 73 6.411 7.660 -0.571 1.00 42.33 C ATOM 1186 CG TYR A 73 6.037 8.711 -1.604 1.00 61.41 C ATOM 1187 CD1 TYR A 73 4.871 9.465 -1.474 1.00 55.43 C ATOM 1188 CD2 TYR A 73 6.845 8.947 -2.713 1.00 31.03 C ATOM 1189 CE1 TYR A 73 4.528 10.419 -2.414 1.00 62.15 C ATOM 1190 CE2 TYR A 73 6.508 9.900 -3.655 1.00 51.21 C ATOM 1191 CZ TYR A 73 5.349 10.632 -3.504 1.00 1.20 C ATOM 1192 OH TYR A 73 5.012 11.585 -4.437 1.00 54.03 O ATOM 0 H TYR A 73 8.791 8.429 -0.730 1.00 4.43 H new ATOM 0 HA TYR A 73 6.617 8.984 1.119 1.00 64.34 H new ATOM 0 HB2 TYR A 73 7.001 6.883 -1.057 1.00 42.33 H new ATOM 0 HB3 TYR A 73 5.500 7.187 -0.204 1.00 42.33 H new ATOM 0 HD1 TYR A 73 4.225 9.301 -0.624 1.00 55.43 H new ATOM 0 HD2 TYR A 73 7.752 8.375 -2.839 1.00 31.03 H new ATOM 0 HE1 TYR A 73 3.622 10.995 -2.296 1.00 62.15 H new ATOM 0 HE2 TYR A 73 7.150 10.071 -4.507 1.00 51.21 H new ATOM 0 HH TYR A 73 5.695 11.611 -5.140 1.00 54.03 H new ATOM 1202 N ARG A 74 6.850 7.137 2.807 1.00 61.31 N ATOM 1203 CA ARG A 74 7.149 6.176 3.882 1.00 42.21 C ATOM 1204 C ARG A 74 5.891 5.725 4.650 1.00 52.42 C ATOM 1205 O ARG A 74 4.826 6.335 4.544 1.00 73.21 O ATOM 1206 CB ARG A 74 8.150 6.806 4.859 1.00 53.12 C ATOM 1207 CG ARG A 74 7.586 7.985 5.646 1.00 33.31 C ATOM 1208 CD ARG A 74 8.672 8.710 6.434 1.00 33.42 C ATOM 1209 NE ARG A 74 9.629 9.383 5.550 1.00 61.31 N ATOM 1210 CZ ARG A 74 10.689 10.029 5.966 1.00 71.43 C ATOM 1211 NH1 ARG A 74 10.987 10.069 7.225 1.00 62.31 N ATOM 1212 NH2 ARG A 74 11.449 10.638 5.117 1.00 4.03 N ATOM 0 H ARG A 74 6.142 7.832 3.044 1.00 61.31 H new ATOM 0 HA ARG A 74 7.572 5.287 3.415 1.00 42.21 H new ATOM 0 HB2 ARG A 74 8.489 6.043 5.560 1.00 53.12 H new ATOM 0 HB3 ARG A 74 9.026 7.139 4.302 1.00 53.12 H new ATOM 0 HG2 ARG A 74 7.106 8.684 4.961 1.00 33.31 H new ATOM 0 HG3 ARG A 74 6.816 7.630 6.330 1.00 33.31 H new ATOM 0 HD2 ARG A 74 8.212 9.443 7.097 1.00 33.42 H new ATOM 0 HD3 ARG A 74 9.201 7.996 7.066 1.00 33.42 H new ATOM 0 HE ARG A 74 9.458 9.345 4.545 1.00 61.31 H new ATOM 0 HH11 ARG A 74 10.393 9.594 7.905 1.00 62.31 H new ATOM 0 HH12 ARG A 74 11.816 10.576 7.537 1.00 62.31 H new ATOM 0 HH21 ARG A 74 11.223 10.616 4.123 1.00 4.03 H new ATOM 0 HH22 ARG A 74 12.275 11.141 5.441 1.00 4.03 H new ATOM 1226 N PHE A 75 6.042 4.643 5.425 1.00 20.53 N ATOM 1227 CA PHE A 75 4.968 4.134 6.296 1.00 44.43 C ATOM 1228 C PHE A 75 5.407 4.136 7.773 1.00 1.04 C ATOM 1229 O PHE A 75 5.029 5.011 8.550 1.00 4.53 O ATOM 1230 CB PHE A 75 4.576 2.704 5.902 1.00 21.15 C ATOM 1231 CG PHE A 75 3.921 2.571 4.550 1.00 43.44 C ATOM 1232 CD1 PHE A 75 2.598 2.945 4.367 1.00 4.14 C ATOM 1233 CD2 PHE A 75 4.620 2.049 3.471 1.00 73.12 C ATOM 1234 CE1 PHE A 75 1.984 2.798 3.139 1.00 10.30 C ATOM 1235 CE2 PHE A 75 4.011 1.903 2.239 1.00 1.52 C ATOM 1236 CZ PHE A 75 2.694 2.279 2.073 1.00 11.35 C ATOM 0 H PHE A 75 6.903 4.098 5.468 1.00 20.53 H new ATOM 0 HA PHE A 75 4.111 4.796 6.171 1.00 44.43 H new ATOM 0 HB2 PHE A 75 5.470 2.081 5.918 1.00 21.15 H new ATOM 0 HB3 PHE A 75 3.898 2.308 6.658 1.00 21.15 H new ATOM 0 HD1 PHE A 75 2.041 3.357 5.196 1.00 4.14 H new ATOM 0 HD2 PHE A 75 5.651 1.754 3.595 1.00 73.12 H new ATOM 0 HE1 PHE A 75 0.951 3.088 3.012 1.00 10.30 H new ATOM 0 HE2 PHE A 75 4.566 1.495 1.407 1.00 1.52 H new ATOM 0 HZ PHE A 75 2.218 2.168 1.110 1.00 11.35 H new ATOM 1246 N GLU A 76 6.218 3.142 8.147 1.00 53.52 N ATOM 1247 CA GLU A 76 6.708 3.003 9.523 1.00 1.14 C ATOM 1248 C GLU A 76 7.814 4.030 9.825 1.00 43.13 C ATOM 1249 O GLU A 76 7.609 4.988 10.576 1.00 35.54 O ATOM 1250 CB GLU A 76 7.236 1.571 9.734 1.00 42.31 C ATOM 1251 CG GLU A 76 7.694 1.262 11.159 1.00 75.12 C ATOM 1252 CD GLU A 76 6.548 1.239 12.158 1.00 73.43 C ATOM 1253 OE1 GLU A 76 5.891 0.187 12.289 1.00 43.12 O ATOM 1254 OE2 GLU A 76 6.306 2.271 12.821 1.00 41.20 O ATOM 0 H GLU A 76 6.551 2.417 7.512 1.00 53.52 H new ATOM 0 HA GLU A 76 5.883 3.193 10.209 1.00 1.14 H new ATOM 0 HB2 GLU A 76 6.453 0.865 9.458 1.00 42.31 H new ATOM 0 HB3 GLU A 76 8.071 1.403 9.054 1.00 42.31 H new ATOM 0 HG2 GLU A 76 8.199 0.296 11.171 1.00 75.12 H new ATOM 0 HG3 GLU A 76 8.425 2.008 11.470 1.00 75.12 H new ATOM 1261 N GLY A 77 8.987 3.818 9.233 1.00 63.12 N ATOM 1262 CA GLY A 77 10.096 4.756 9.381 1.00 23.24 C ATOM 1263 C GLY A 77 10.925 4.893 8.106 1.00 22.41 C ATOM 1264 O GLY A 77 11.400 5.982 7.779 1.00 34.44 O ATOM 0 H GLY A 77 9.193 3.008 8.648 1.00 63.12 H new ATOM 0 HA2 GLY A 77 9.705 5.734 9.662 1.00 23.24 H new ATOM 0 HA3 GLY A 77 10.741 4.425 10.195 1.00 23.24 H new ATOM 1268 N THR A 78 11.111 3.781 7.394 1.00 1.44 N ATOM 1269 CA THR A 78 11.837 3.784 6.113 1.00 44.12 C ATOM 1270 C THR A 78 10.948 4.282 4.964 1.00 53.34 C ATOM 1271 O THR A 78 9.720 4.156 5.016 1.00 13.14 O ATOM 1272 CB THR A 78 12.373 2.376 5.755 1.00 43.34 C ATOM 1273 OG1 THR A 78 13.112 2.425 4.523 1.00 12.04 O ATOM 1274 CG2 THR A 78 11.234 1.366 5.627 1.00 21.11 C ATOM 0 H THR A 78 10.770 2.863 7.679 1.00 1.44 H new ATOM 0 HA THR A 78 12.679 4.465 6.240 1.00 44.12 H new ATOM 0 HB THR A 78 13.031 2.055 6.563 1.00 43.34 H new ATOM 0 HG1 THR A 78 13.448 1.530 4.307 1.00 12.04 H new ATOM 0 HG21 THR A 78 11.642 0.387 5.375 1.00 21.11 H new ATOM 0 HG22 THR A 78 10.696 1.302 6.573 1.00 21.11 H new ATOM 0 HG23 THR A 78 10.550 1.687 4.841 1.00 21.11 H new ATOM 1282 N GLY A 79 11.570 4.834 3.922 1.00 3.11 N ATOM 1283 CA GLY A 79 10.811 5.384 2.803 1.00 30.01 C ATOM 1284 C GLY A 79 11.615 5.477 1.508 1.00 41.33 C ATOM 1285 O GLY A 79 12.845 5.472 1.528 1.00 0.43 O ATOM 0 H GLY A 79 12.583 4.911 3.831 1.00 3.11 H new ATOM 0 HA2 GLY A 79 9.931 4.764 2.631 1.00 30.01 H new ATOM 0 HA3 GLY A 79 10.453 6.378 3.071 1.00 30.01 H new ATOM 1289 N PHE A 80 10.912 5.579 0.381 1.00 44.34 N ATOM 1290 CA PHE A 80 11.551 5.646 -0.942 1.00 23.41 C ATOM 1291 C PHE A 80 11.085 6.882 -1.726 1.00 35.31 C ATOM 1292 O PHE A 80 9.943 7.313 -1.595 1.00 65.22 O ATOM 1293 CB PHE A 80 11.248 4.369 -1.741 1.00 71.51 C ATOM 1294 CG PHE A 80 11.872 3.126 -1.155 1.00 53.31 C ATOM 1295 CD1 PHE A 80 11.290 2.479 -0.072 1.00 25.44 C ATOM 1296 CD2 PHE A 80 13.044 2.609 -1.685 1.00 33.13 C ATOM 1297 CE1 PHE A 80 11.865 1.346 0.466 1.00 41.25 C ATOM 1298 CE2 PHE A 80 13.622 1.474 -1.150 1.00 41.31 C ATOM 1299 CZ PHE A 80 13.032 0.842 -0.072 1.00 32.00 C ATOM 0 H PHE A 80 9.893 5.618 0.353 1.00 44.34 H new ATOM 0 HA PHE A 80 12.627 5.729 -0.791 1.00 23.41 H new ATOM 0 HB2 PHE A 80 10.168 4.232 -1.795 1.00 71.51 H new ATOM 0 HB3 PHE A 80 11.605 4.497 -2.763 1.00 71.51 H new ATOM 0 HD1 PHE A 80 10.377 2.867 0.354 1.00 25.44 H new ATOM 0 HD2 PHE A 80 13.511 3.099 -2.526 1.00 33.13 H new ATOM 0 HE1 PHE A 80 11.402 0.853 1.308 1.00 41.25 H new ATOM 0 HE2 PHE A 80 14.534 1.081 -1.574 1.00 41.31 H new ATOM 0 HZ PHE A 80 13.483 -0.045 0.349 1.00 32.00 H new ATOM 1309 N SER A 81 11.981 7.436 -2.547 1.00 63.44 N ATOM 1310 CA SER A 81 11.694 8.649 -3.339 1.00 61.11 C ATOM 1311 C SER A 81 10.444 8.496 -4.225 1.00 53.02 C ATOM 1312 O SER A 81 9.793 9.480 -4.570 1.00 70.23 O ATOM 1313 CB SER A 81 12.898 8.999 -4.233 1.00 70.33 C ATOM 1314 OG SER A 81 14.103 9.106 -3.482 1.00 41.23 O ATOM 0 H SER A 81 12.921 7.065 -2.685 1.00 63.44 H new ATOM 0 HA SER A 81 11.504 9.449 -2.624 1.00 61.11 H new ATOM 0 HB2 SER A 81 13.015 8.234 -5.000 1.00 70.33 H new ATOM 0 HB3 SER A 81 12.706 9.940 -4.748 1.00 70.33 H new ATOM 0 HG SER A 81 14.845 9.327 -4.083 1.00 41.23 H new ATOM 1320 N ASN A 82 10.118 7.257 -4.598 1.00 43.10 N ATOM 1321 CA ASN A 82 8.978 6.986 -5.487 1.00 2.14 C ATOM 1322 C ASN A 82 8.025 5.944 -4.879 1.00 55.23 C ATOM 1323 O ASN A 82 8.465 4.979 -4.255 1.00 32.14 O ATOM 1324 CB ASN A 82 9.482 6.491 -6.851 1.00 45.34 C ATOM 1325 CG ASN A 82 10.341 7.517 -7.565 1.00 13.21 C ATOM 1326 OD1 ASN A 82 9.853 8.317 -8.355 1.00 72.45 O ATOM 1327 ND2 ASN A 82 11.633 7.501 -7.298 1.00 51.24 N ATOM 0 H ASN A 82 10.625 6.423 -4.300 1.00 43.10 H new ATOM 0 HA ASN A 82 8.426 7.917 -5.615 1.00 2.14 H new ATOM 0 HB2 ASN A 82 10.057 5.576 -6.711 1.00 45.34 H new ATOM 0 HB3 ASN A 82 8.628 6.238 -7.479 1.00 45.34 H new ATOM 0 HD21 ASN A 82 12.256 8.167 -7.754 1.00 51.24 H new ATOM 0 HD22 ASN A 82 12.008 6.822 -6.635 1.00 51.24 H new ATOM 1334 N ILE A 83 6.720 6.138 -5.086 1.00 72.13 N ATOM 1335 CA ILE A 83 5.697 5.210 -4.581 1.00 42.22 C ATOM 1336 C ILE A 83 5.856 3.789 -5.169 1.00 12.14 C ATOM 1337 O ILE A 83 5.850 2.808 -4.419 1.00 45.11 O ATOM 1338 CB ILE A 83 4.268 5.737 -4.868 1.00 42.23 C ATOM 1339 CG1 ILE A 83 4.077 7.117 -4.225 1.00 41.22 C ATOM 1340 CG2 ILE A 83 3.211 4.753 -4.362 1.00 10.05 C ATOM 1341 CD1 ILE A 83 2.728 7.740 -4.497 1.00 52.41 C ATOM 0 H ILE A 83 6.343 6.933 -5.602 1.00 72.13 H new ATOM 0 HA ILE A 83 5.844 5.148 -3.503 1.00 42.22 H new ATOM 0 HB ILE A 83 4.145 5.834 -5.947 1.00 42.23 H new ATOM 0 HG12 ILE A 83 4.213 7.026 -3.147 1.00 41.22 H new ATOM 0 HG13 ILE A 83 4.855 7.787 -4.589 1.00 41.22 H new ATOM 0 HG21 ILE A 83 2.217 5.146 -4.575 1.00 10.05 H new ATOM 0 HG22 ILE A 83 3.337 3.793 -4.863 1.00 10.05 H new ATOM 0 HG23 ILE A 83 3.325 4.618 -3.286 1.00 10.05 H new ATOM 0 HD11 ILE A 83 2.671 8.713 -4.009 1.00 52.41 H new ATOM 0 HD12 ILE A 83 2.595 7.865 -5.572 1.00 52.41 H new ATOM 0 HD13 ILE A 83 1.943 7.092 -4.107 1.00 52.41 H new ATOM 1353 N PRO A 84 5.998 3.641 -6.513 1.00 55.13 N ATOM 1354 CA PRO A 84 6.261 2.329 -7.130 1.00 4.23 C ATOM 1355 C PRO A 84 7.464 1.619 -6.481 1.00 0.21 C ATOM 1356 O PRO A 84 7.386 0.444 -6.131 1.00 71.31 O ATOM 1357 CB PRO A 84 6.541 2.658 -8.612 1.00 53.03 C ATOM 1358 CG PRO A 84 6.699 4.146 -8.674 1.00 72.44 C ATOM 1359 CD PRO A 84 5.893 4.700 -7.534 1.00 2.11 C ATOM 0 HA PRO A 84 5.424 1.643 -7.002 1.00 4.23 H new ATOM 0 HB2 PRO A 84 7.442 2.154 -8.962 1.00 53.03 H new ATOM 0 HB3 PRO A 84 5.722 2.324 -9.249 1.00 53.03 H new ATOM 0 HG2 PRO A 84 7.747 4.430 -8.584 1.00 72.44 H new ATOM 0 HG3 PRO A 84 6.344 4.536 -9.628 1.00 72.44 H new ATOM 0 HD2 PRO A 84 6.296 5.647 -7.177 1.00 2.11 H new ATOM 0 HD3 PRO A 84 4.858 4.883 -7.822 1.00 2.11 H new ATOM 1367 N GLN A 85 8.566 2.351 -6.298 1.00 22.00 N ATOM 1368 CA GLN A 85 9.757 1.811 -5.624 1.00 71.35 C ATOM 1369 C GLN A 85 9.439 1.391 -4.178 1.00 44.32 C ATOM 1370 O GLN A 85 9.855 0.327 -3.724 1.00 31.43 O ATOM 1371 CB GLN A 85 10.890 2.851 -5.622 1.00 54.22 C ATOM 1372 CG GLN A 85 11.395 3.244 -7.008 1.00 31.35 C ATOM 1373 CD GLN A 85 11.946 2.063 -7.794 1.00 3.14 C ATOM 1374 OE1 GLN A 85 13.118 1.720 -7.679 1.00 21.23 O ATOM 1375 NE2 GLN A 85 11.117 1.450 -8.614 1.00 54.12 N ATOM 0 H GLN A 85 8.661 3.319 -6.606 1.00 22.00 H new ATOM 0 HA GLN A 85 10.077 0.928 -6.177 1.00 71.35 H new ATOM 0 HB2 GLN A 85 10.542 3.747 -5.109 1.00 54.22 H new ATOM 0 HB3 GLN A 85 11.726 2.457 -5.043 1.00 54.22 H new ATOM 0 HG2 GLN A 85 10.580 3.700 -7.570 1.00 31.35 H new ATOM 0 HG3 GLN A 85 12.173 4.000 -6.905 1.00 31.35 H new ATOM 0 HE21 GLN A 85 10.148 1.760 -8.686 1.00 54.12 H new ATOM 0 HE22 GLN A 85 11.444 0.665 -9.177 1.00 54.12 H new ATOM 1384 N LEU A 86 8.700 2.238 -3.462 1.00 0.51 N ATOM 1385 CA LEU A 86 8.300 1.956 -2.075 1.00 1.24 C ATOM 1386 C LEU A 86 7.558 0.612 -1.956 1.00 75.22 C ATOM 1387 O LEU A 86 7.984 -0.290 -1.217 1.00 22.05 O ATOM 1388 CB LEU A 86 7.411 3.098 -1.554 1.00 4.40 C ATOM 1389 CG LEU A 86 6.812 2.908 -0.148 1.00 21.13 C ATOM 1390 CD1 LEU A 86 7.905 2.853 0.916 1.00 55.33 C ATOM 1391 CD2 LEU A 86 5.810 4.019 0.156 1.00 63.51 C ATOM 0 H LEU A 86 8.362 3.132 -3.819 1.00 0.51 H new ATOM 0 HA LEU A 86 9.204 1.886 -1.470 1.00 1.24 H new ATOM 0 HB2 LEU A 86 7.998 4.016 -1.555 1.00 4.40 H new ATOM 0 HB3 LEU A 86 6.592 3.243 -2.258 1.00 4.40 H new ATOM 0 HG LEU A 86 6.286 1.953 -0.128 1.00 21.13 H new ATOM 0 HD11 LEU A 86 7.451 2.718 1.898 1.00 55.33 H new ATOM 0 HD12 LEU A 86 8.574 2.018 0.708 1.00 55.33 H new ATOM 0 HD13 LEU A 86 8.472 3.784 0.903 1.00 55.33 H new ATOM 0 HD21 LEU A 86 5.395 3.872 1.153 1.00 63.51 H new ATOM 0 HD22 LEU A 86 6.313 4.985 0.112 1.00 63.51 H new ATOM 0 HD23 LEU A 86 5.006 3.995 -0.579 1.00 63.51 H new ATOM 1403 N ILE A 87 6.459 0.479 -2.696 1.00 20.42 N ATOM 1404 CA ILE A 87 5.635 -0.733 -2.647 1.00 34.12 C ATOM 1405 C ILE A 87 6.378 -1.952 -3.221 1.00 1.22 C ATOM 1406 O ILE A 87 6.454 -3.001 -2.578 1.00 70.13 O ATOM 1407 CB ILE A 87 4.300 -0.539 -3.414 1.00 54.54 C ATOM 1408 CG1 ILE A 87 3.514 0.656 -2.836 1.00 20.22 C ATOM 1409 CG2 ILE A 87 3.455 -1.815 -3.376 1.00 41.21 C ATOM 1410 CD1 ILE A 87 3.158 0.511 -1.370 1.00 2.04 C ATOM 0 H ILE A 87 6.116 1.194 -3.338 1.00 20.42 H new ATOM 0 HA ILE A 87 5.419 -0.919 -1.595 1.00 34.12 H new ATOM 0 HB ILE A 87 4.535 -0.324 -4.457 1.00 54.54 H new ATOM 0 HG12 ILE A 87 4.104 1.563 -2.968 1.00 20.22 H new ATOM 0 HG13 ILE A 87 2.597 0.786 -3.411 1.00 20.22 H new ATOM 0 HG21 ILE A 87 2.525 -1.652 -3.921 1.00 41.21 H new ATOM 0 HG22 ILE A 87 4.008 -2.632 -3.839 1.00 41.21 H new ATOM 0 HG23 ILE A 87 3.229 -2.071 -2.341 1.00 41.21 H new ATOM 0 HD11 ILE A 87 2.607 1.392 -1.041 1.00 2.04 H new ATOM 0 HD12 ILE A 87 2.540 -0.376 -1.232 1.00 2.04 H new ATOM 0 HD13 ILE A 87 4.071 0.413 -0.782 1.00 2.04 H new ATOM 1422 N ASP A 88 6.934 -1.802 -4.423 1.00 13.50 N ATOM 1423 CA ASP A 88 7.641 -2.898 -5.095 1.00 73.44 C ATOM 1424 C ASP A 88 8.799 -3.434 -4.241 1.00 42.53 C ATOM 1425 O ASP A 88 8.948 -4.645 -4.079 1.00 4.42 O ATOM 1426 CB ASP A 88 8.167 -2.435 -6.458 1.00 75.44 C ATOM 1427 CG ASP A 88 8.856 -3.552 -7.225 1.00 43.22 C ATOM 1428 OD1 ASP A 88 8.155 -4.327 -7.911 1.00 50.04 O ATOM 1429 OD2 ASP A 88 10.099 -3.670 -7.132 1.00 31.02 O ATOM 0 H ASP A 88 6.910 -0.932 -4.954 1.00 13.50 H new ATOM 0 HA ASP A 88 6.928 -3.709 -5.240 1.00 73.44 H new ATOM 0 HB2 ASP A 88 7.339 -2.048 -7.051 1.00 75.44 H new ATOM 0 HB3 ASP A 88 8.867 -1.612 -6.313 1.00 75.44 H new ATOM 1434 N HIS A 89 9.611 -2.534 -3.686 1.00 52.23 N ATOM 1435 CA HIS A 89 10.763 -2.942 -2.876 1.00 33.21 C ATOM 1436 C HIS A 89 10.321 -3.720 -1.626 1.00 1.54 C ATOM 1437 O HIS A 89 10.979 -4.672 -1.223 1.00 55.33 O ATOM 1438 CB HIS A 89 11.607 -1.726 -2.478 1.00 1.42 C ATOM 1439 CG HIS A 89 12.994 -2.080 -2.032 1.00 54.14 C ATOM 1440 ND1 HIS A 89 13.335 -2.298 -0.714 1.00 74.43 N ATOM 1441 CD2 HIS A 89 14.135 -2.241 -2.741 1.00 20.44 C ATOM 1442 CE1 HIS A 89 14.621 -2.571 -0.634 1.00 21.11 C ATOM 1443 NE2 HIS A 89 15.130 -2.544 -1.846 1.00 2.43 N ATOM 0 H HIS A 89 9.496 -1.525 -3.780 1.00 52.23 H new ATOM 0 HA HIS A 89 11.376 -3.605 -3.486 1.00 33.21 H new ATOM 0 HB2 HIS A 89 11.670 -1.044 -3.326 1.00 1.42 H new ATOM 0 HB3 HIS A 89 11.101 -1.190 -1.675 1.00 1.42 H new ATOM 0 HD2 HIS A 89 14.243 -2.148 -3.812 1.00 20.44 H new ATOM 0 HE1 HIS A 89 15.166 -2.782 0.274 1.00 21.11 H new ATOM 0 HE2 HIS A 89 16.106 -2.720 -2.083 1.00 2.43 H new ATOM 1452 N HIS A 90 9.207 -3.314 -1.014 1.00 62.32 N ATOM 1453 CA HIS A 90 8.647 -4.061 0.127 1.00 72.02 C ATOM 1454 C HIS A 90 8.088 -5.425 -0.317 1.00 64.42 C ATOM 1455 O HIS A 90 8.306 -6.440 0.345 1.00 4.11 O ATOM 1456 CB HIS A 90 7.543 -3.248 0.828 1.00 30.22 C ATOM 1457 CG HIS A 90 8.055 -2.237 1.812 1.00 31.14 C ATOM 1458 ND1 HIS A 90 8.379 -0.940 1.473 1.00 65.01 N ATOM 1459 CD2 HIS A 90 8.286 -2.338 3.145 1.00 21.20 C ATOM 1460 CE1 HIS A 90 8.786 -0.291 2.548 1.00 1.42 C ATOM 1461 NE2 HIS A 90 8.738 -1.115 3.573 1.00 11.04 N ATOM 0 H HIS A 90 8.677 -2.484 -1.280 1.00 62.32 H new ATOM 0 HA HIS A 90 9.460 -4.234 0.832 1.00 72.02 H new ATOM 0 HB2 HIS A 90 6.950 -2.734 0.072 1.00 30.22 H new ATOM 0 HB3 HIS A 90 6.874 -3.936 1.345 1.00 30.22 H new ATOM 0 HD1 HIS A 90 8.314 -0.543 0.536 1.00 65.01 H new ATOM 0 HD2 HIS A 90 8.141 -3.217 3.756 1.00 21.20 H new ATOM 0 HE1 HIS A 90 9.104 0.741 2.581 1.00 1.42 H new ATOM 1470 N TYR A 91 7.375 -5.438 -1.441 1.00 71.41 N ATOM 1471 CA TYR A 91 6.778 -6.668 -1.982 1.00 32.14 C ATOM 1472 C TYR A 91 7.848 -7.703 -2.379 1.00 34.32 C ATOM 1473 O TYR A 91 7.721 -8.894 -2.077 1.00 44.14 O ATOM 1474 CB TYR A 91 5.898 -6.327 -3.197 1.00 72.24 C ATOM 1475 CG TYR A 91 5.319 -7.541 -3.908 1.00 20.14 C ATOM 1476 CD1 TYR A 91 4.143 -8.141 -3.467 1.00 23.24 C ATOM 1477 CD2 TYR A 91 5.951 -8.086 -5.025 1.00 1.14 C ATOM 1478 CE1 TYR A 91 3.621 -9.248 -4.113 1.00 52.11 C ATOM 1479 CE2 TYR A 91 5.432 -9.189 -5.673 1.00 21.23 C ATOM 1480 CZ TYR A 91 4.268 -9.765 -5.215 1.00 45.33 C ATOM 1481 OH TYR A 91 3.756 -10.870 -5.859 1.00 2.04 O ATOM 0 H TYR A 91 7.193 -4.606 -2.002 1.00 71.41 H new ATOM 0 HA TYR A 91 6.167 -7.114 -1.197 1.00 32.14 H new ATOM 0 HB2 TYR A 91 5.079 -5.687 -2.870 1.00 72.24 H new ATOM 0 HB3 TYR A 91 6.489 -5.750 -3.909 1.00 72.24 H new ATOM 0 HD1 TYR A 91 3.630 -7.736 -2.607 1.00 23.24 H new ATOM 0 HD2 TYR A 91 6.863 -7.637 -5.390 1.00 1.14 H new ATOM 0 HE1 TYR A 91 2.710 -9.705 -3.755 1.00 52.11 H new ATOM 0 HE2 TYR A 91 5.937 -9.598 -6.536 1.00 21.23 H new ATOM 0 HH TYR A 91 4.333 -11.104 -6.616 1.00 2.04 H new ATOM 1491 N THR A 92 8.892 -7.242 -3.057 1.00 60.44 N ATOM 1492 CA THR A 92 9.957 -8.124 -3.556 1.00 33.11 C ATOM 1493 C THR A 92 10.887 -8.610 -2.436 1.00 21.11 C ATOM 1494 O THR A 92 11.478 -9.686 -2.541 1.00 64.24 O ATOM 1495 CB THR A 92 10.799 -7.425 -4.652 1.00 62.23 C ATOM 1496 OG1 THR A 92 11.282 -6.159 -4.173 1.00 41.23 O ATOM 1497 CG2 THR A 92 9.974 -7.214 -5.920 1.00 70.22 C ATOM 0 H THR A 92 9.030 -6.256 -3.279 1.00 60.44 H new ATOM 0 HA THR A 92 9.455 -8.992 -3.983 1.00 33.11 H new ATOM 0 HB THR A 92 11.646 -8.068 -4.891 1.00 62.23 H new ATOM 0 HG1 THR A 92 10.554 -5.503 -4.190 1.00 41.23 H new ATOM 0 HG21 THR A 92 10.587 -6.722 -6.675 1.00 70.22 H new ATOM 0 HG22 THR A 92 9.636 -8.179 -6.299 1.00 70.22 H new ATOM 0 HG23 THR A 92 9.109 -6.591 -5.692 1.00 70.22 H new ATOM 1505 N THR A 93 11.029 -7.817 -1.375 1.00 71.34 N ATOM 1506 CA THR A 93 11.820 -8.231 -0.201 1.00 3.05 C ATOM 1507 C THR A 93 10.944 -8.931 0.845 1.00 41.40 C ATOM 1508 O THR A 93 11.457 -9.524 1.798 1.00 4.43 O ATOM 1509 CB THR A 93 12.521 -7.034 0.485 1.00 62.32 C ATOM 1510 OG1 THR A 93 11.547 -6.086 0.946 1.00 41.45 O ATOM 1511 CG2 THR A 93 13.496 -6.349 -0.467 1.00 43.45 C ATOM 0 H THR A 93 10.613 -6.889 -1.297 1.00 71.34 H new ATOM 0 HA THR A 93 12.574 -8.920 -0.581 1.00 3.05 H new ATOM 0 HB THR A 93 13.083 -7.418 1.337 1.00 62.32 H new ATOM 0 HG1 THR A 93 11.427 -5.386 0.271 1.00 41.45 H new ATOM 0 HG21 THR A 93 13.974 -5.512 0.042 1.00 43.45 H new ATOM 0 HG22 THR A 93 14.256 -7.062 -0.785 1.00 43.45 H new ATOM 0 HG23 THR A 93 12.956 -5.982 -1.340 1.00 43.45 H new ATOM 1519 N LYS A 94 9.624 -8.841 0.664 1.00 41.45 N ATOM 1520 CA LYS A 94 8.649 -9.449 1.583 1.00 24.31 C ATOM 1521 C LYS A 94 8.753 -8.820 2.988 1.00 71.33 C ATOM 1522 O LYS A 94 8.380 -9.430 3.993 1.00 41.35 O ATOM 1523 CB LYS A 94 8.849 -10.981 1.642 1.00 62.51 C ATOM 1524 CG LYS A 94 7.547 -11.780 1.676 1.00 63.31 C ATOM 1525 CD LYS A 94 6.692 -11.512 0.437 1.00 2.50 C ATOM 1526 CE LYS A 94 5.448 -12.392 0.389 1.00 64.41 C ATOM 1527 NZ LYS A 94 4.632 -12.128 -0.827 1.00 60.24 N ATOM 0 H LYS A 94 9.198 -8.347 -0.120 1.00 41.45 H new ATOM 0 HA LYS A 94 7.646 -9.251 1.205 1.00 24.31 H new ATOM 0 HB2 LYS A 94 9.432 -11.294 0.776 1.00 62.51 H new ATOM 0 HB3 LYS A 94 9.436 -11.226 2.527 1.00 62.51 H new ATOM 0 HG2 LYS A 94 7.774 -12.844 1.740 1.00 63.31 H new ATOM 0 HG3 LYS A 94 6.983 -11.520 2.572 1.00 63.31 H new ATOM 0 HD2 LYS A 94 6.393 -10.464 0.425 1.00 2.50 H new ATOM 0 HD3 LYS A 94 7.290 -11.683 -0.458 1.00 2.50 H new ATOM 0 HE2 LYS A 94 5.744 -13.441 0.408 1.00 64.41 H new ATOM 0 HE3 LYS A 94 4.843 -12.215 1.278 1.00 64.41 H new ATOM 0 HZ1 LYS A 94 3.959 -12.908 -0.969 1.00 60.24 H new ATOM 0 HZ2 LYS A 94 4.109 -11.237 -0.708 1.00 60.24 H new ATOM 0 HZ3 LYS A 94 5.257 -12.054 -1.655 1.00 60.24 H new ATOM 1541 N GLN A 95 9.247 -7.584 3.042 1.00 32.45 N ATOM 1542 CA GLN A 95 9.449 -6.868 4.308 1.00 4.23 C ATOM 1543 C GLN A 95 8.149 -6.162 4.742 1.00 33.42 C ATOM 1544 O GLN A 95 7.511 -5.471 3.943 1.00 51.50 O ATOM 1545 CB GLN A 95 10.603 -5.852 4.147 1.00 42.35 C ATOM 1546 CG GLN A 95 11.424 -5.603 5.417 1.00 31.01 C ATOM 1547 CD GLN A 95 10.690 -4.814 6.492 1.00 54.31 C ATOM 1548 OE1 GLN A 95 10.910 -5.012 7.683 1.00 72.45 O ATOM 1549 NE2 GLN A 95 9.835 -3.901 6.084 1.00 70.51 N ATOM 0 H GLN A 95 9.518 -7.050 2.216 1.00 32.45 H new ATOM 0 HA GLN A 95 9.716 -7.582 5.087 1.00 4.23 H new ATOM 0 HB2 GLN A 95 11.272 -6.205 3.362 1.00 42.35 H new ATOM 0 HB3 GLN A 95 10.188 -4.903 3.808 1.00 42.35 H new ATOM 0 HG2 GLN A 95 11.729 -6.563 5.832 1.00 31.01 H new ATOM 0 HG3 GLN A 95 12.335 -5.068 5.148 1.00 31.01 H new ATOM 0 HE21 GLN A 95 9.675 -3.762 5.086 1.00 70.51 H new ATOM 0 HE22 GLN A 95 9.332 -3.333 6.765 1.00 70.51 H new ATOM 1558 N VAL A 96 7.775 -6.329 6.012 1.00 60.12 N ATOM 1559 CA VAL A 96 6.496 -5.810 6.534 1.00 41.01 C ATOM 1560 C VAL A 96 6.352 -4.283 6.374 1.00 30.11 C ATOM 1561 O VAL A 96 7.327 -3.535 6.439 1.00 55.22 O ATOM 1562 CB VAL A 96 6.302 -6.173 8.032 1.00 21.31 C ATOM 1563 CG1 VAL A 96 6.258 -7.686 8.221 1.00 11.43 C ATOM 1564 CG2 VAL A 96 7.396 -5.550 8.900 1.00 73.43 C ATOM 0 H VAL A 96 8.338 -6.821 6.706 1.00 60.12 H new ATOM 0 HA VAL A 96 5.725 -6.291 5.932 1.00 41.01 H new ATOM 0 HB VAL A 96 5.346 -5.760 8.353 1.00 21.31 H new ATOM 0 HG11 VAL A 96 6.122 -7.917 9.277 1.00 11.43 H new ATOM 0 HG12 VAL A 96 5.428 -8.100 7.649 1.00 11.43 H new ATOM 0 HG13 VAL A 96 7.193 -8.124 7.872 1.00 11.43 H new ATOM 0 HG21 VAL A 96 7.232 -5.822 9.943 1.00 73.43 H new ATOM 0 HG22 VAL A 96 8.370 -5.918 8.577 1.00 73.43 H new ATOM 0 HG23 VAL A 96 7.366 -4.465 8.800 1.00 73.43 H new ATOM 1574 N ILE A 97 5.115 -3.833 6.166 1.00 41.54 N ATOM 1575 CA ILE A 97 4.819 -2.402 6.046 1.00 75.10 C ATOM 1576 C ILE A 97 5.093 -1.662 7.369 1.00 13.14 C ATOM 1577 O ILE A 97 5.914 -0.744 7.424 1.00 32.14 O ATOM 1578 CB ILE A 97 3.346 -2.176 5.614 1.00 35.12 C ATOM 1579 CG1 ILE A 97 3.083 -2.840 4.252 1.00 14.12 C ATOM 1580 CG2 ILE A 97 3.014 -0.684 5.559 1.00 64.51 C ATOM 1581 CD1 ILE A 97 3.947 -2.295 3.130 1.00 62.45 C ATOM 0 H ILE A 97 4.299 -4.438 6.077 1.00 41.54 H new ATOM 0 HA ILE A 97 5.479 -1.997 5.279 1.00 75.10 H new ATOM 0 HB ILE A 97 2.696 -2.637 6.358 1.00 35.12 H new ATOM 0 HG12 ILE A 97 3.254 -3.913 4.342 1.00 14.12 H new ATOM 0 HG13 ILE A 97 2.034 -2.705 3.989 1.00 14.12 H new ATOM 0 HG21 ILE A 97 1.976 -0.553 5.254 1.00 64.51 H new ATOM 0 HG22 ILE A 97 3.161 -0.242 6.544 1.00 64.51 H new ATOM 0 HG23 ILE A 97 3.668 -0.192 4.840 1.00 64.51 H new ATOM 0 HD11 ILE A 97 3.705 -2.811 2.201 1.00 62.45 H new ATOM 0 HD12 ILE A 97 3.759 -1.228 3.012 1.00 62.45 H new ATOM 0 HD13 ILE A 97 4.998 -2.454 3.370 1.00 62.45 H new ATOM 1593 N THR A 98 4.394 -2.069 8.427 1.00 2.15 N ATOM 1594 CA THR A 98 4.609 -1.519 9.775 1.00 54.23 C ATOM 1595 C THR A 98 4.702 -2.646 10.811 1.00 52.32 C ATOM 1596 O THR A 98 3.936 -3.609 10.756 1.00 11.40 O ATOM 1597 CB THR A 98 3.465 -0.568 10.212 1.00 62.25 C ATOM 1598 OG1 THR A 98 2.224 -1.289 10.284 1.00 72.02 O ATOM 1599 CG2 THR A 98 3.316 0.613 9.256 1.00 3.12 C ATOM 0 H THR A 98 3.667 -2.783 8.381 1.00 2.15 H new ATOM 0 HA THR A 98 5.542 -0.958 9.728 1.00 54.23 H new ATOM 0 HB THR A 98 3.721 -0.176 11.196 1.00 62.25 H new ATOM 0 HG1 THR A 98 1.573 -0.881 9.675 1.00 72.02 H new ATOM 0 HG21 THR A 98 2.504 1.256 9.596 1.00 3.12 H new ATOM 0 HG22 THR A 98 4.245 1.182 9.233 1.00 3.12 H new ATOM 0 HG23 THR A 98 3.092 0.245 8.255 1.00 3.12 H new ATOM 1607 N LYS A 99 5.628 -2.520 11.761 1.00 42.12 N ATOM 1608 CA LYS A 99 5.753 -3.500 12.850 1.00 25.22 C ATOM 1609 C LYS A 99 4.547 -3.427 13.797 1.00 73.31 C ATOM 1610 O LYS A 99 4.195 -4.407 14.450 1.00 33.33 O ATOM 1611 CB LYS A 99 7.059 -3.278 13.630 1.00 24.23 C ATOM 1612 CG LYS A 99 8.300 -3.843 12.940 1.00 60.11 C ATOM 1613 CD LYS A 99 8.227 -5.365 12.814 1.00 55.52 C ATOM 1614 CE LYS A 99 9.476 -5.953 12.167 1.00 5.23 C ATOM 1615 NZ LYS A 99 10.703 -5.669 12.959 1.00 53.23 N ATOM 0 H LYS A 99 6.301 -1.755 11.803 1.00 42.12 H new ATOM 0 HA LYS A 99 5.777 -4.495 12.405 1.00 25.22 H new ATOM 0 HB2 LYS A 99 7.199 -2.208 13.787 1.00 24.23 H new ATOM 0 HB3 LYS A 99 6.964 -3.735 14.615 1.00 24.23 H new ATOM 0 HG2 LYS A 99 8.401 -3.399 11.949 1.00 60.11 H new ATOM 0 HG3 LYS A 99 9.190 -3.566 13.505 1.00 60.11 H new ATOM 0 HD2 LYS A 99 8.092 -5.803 13.803 1.00 55.52 H new ATOM 0 HD3 LYS A 99 7.352 -5.637 12.223 1.00 55.52 H new ATOM 0 HE2 LYS A 99 9.355 -7.031 12.060 1.00 5.23 H new ATOM 0 HE3 LYS A 99 9.590 -5.544 11.163 1.00 5.23 H new ATOM 0 HZ1 LYS A 99 11.485 -6.261 12.613 1.00 53.23 H new ATOM 0 HZ2 LYS A 99 10.958 -4.666 12.857 1.00 53.23 H new ATOM 0 HZ3 LYS A 99 10.526 -5.881 13.962 1.00 53.23 H new ATOM 1629 N LYS A 100 3.912 -2.260 13.846 1.00 13.20 N ATOM 1630 CA LYS A 100 2.716 -2.051 14.676 1.00 64.22 C ATOM 1631 C LYS A 100 1.538 -2.940 14.225 1.00 23.54 C ATOM 1632 O LYS A 100 0.581 -3.143 14.978 1.00 13.44 O ATOM 1633 CB LYS A 100 2.299 -0.568 14.645 1.00 55.43 C ATOM 1634 CG LYS A 100 3.157 0.357 15.520 1.00 2.12 C ATOM 1635 CD LYS A 100 4.650 0.233 15.220 1.00 51.10 C ATOM 1636 CE LYS A 100 5.473 1.291 15.949 1.00 40.40 C ATOM 1637 NZ LYS A 100 5.205 2.657 15.425 1.00 63.05 N ATOM 0 H LYS A 100 4.203 -1.436 13.320 1.00 13.20 H new ATOM 0 HA LYS A 100 2.973 -2.335 15.696 1.00 64.22 H new ATOM 0 HB2 LYS A 100 2.341 -0.214 13.615 1.00 55.43 H new ATOM 0 HB3 LYS A 100 1.260 -0.490 14.966 1.00 55.43 H new ATOM 0 HG2 LYS A 100 2.844 1.390 15.366 1.00 2.12 H new ATOM 0 HG3 LYS A 100 2.981 0.124 16.570 1.00 2.12 H new ATOM 0 HD2 LYS A 100 4.996 -0.759 15.511 1.00 51.10 H new ATOM 0 HD3 LYS A 100 4.812 0.325 14.146 1.00 51.10 H new ATOM 0 HE2 LYS A 100 5.244 1.259 17.014 1.00 40.40 H new ATOM 0 HE3 LYS A 100 6.534 1.063 15.844 1.00 40.40 H new ATOM 0 HZ1 LYS A 100 5.831 3.339 15.898 1.00 63.05 H new ATOM 0 HZ2 LYS A 100 5.382 2.677 14.400 1.00 63.05 H new ATOM 0 HZ3 LYS A 100 4.214 2.911 15.610 1.00 63.05 H new ATOM 1651 N SER A 101 1.607 -3.458 12.995 1.00 1.20 N ATOM 1652 CA SER A 101 0.563 -4.355 12.466 1.00 13.11 C ATOM 1653 C SER A 101 1.135 -5.718 12.046 1.00 73.30 C ATOM 1654 O SER A 101 0.458 -6.742 12.146 1.00 50.02 O ATOM 1655 CB SER A 101 -0.148 -3.709 11.267 1.00 30.01 C ATOM 1656 OG SER A 101 -0.787 -2.494 11.635 1.00 21.23 O ATOM 0 H SER A 101 2.371 -3.275 12.345 1.00 1.20 H new ATOM 0 HA SER A 101 -0.153 -4.519 13.272 1.00 13.11 H new ATOM 0 HB2 SER A 101 0.575 -3.516 10.474 1.00 30.01 H new ATOM 0 HB3 SER A 101 -0.886 -4.402 10.863 1.00 30.01 H new ATOM 0 HG SER A 101 -1.242 -2.114 10.855 1.00 21.23 H new ATOM 1662 N GLY A 102 2.378 -5.722 11.566 1.00 5.41 N ATOM 1663 CA GLY A 102 3.015 -6.955 11.105 1.00 62.12 C ATOM 1664 C GLY A 102 2.407 -7.507 9.816 1.00 11.23 C ATOM 1665 O GLY A 102 2.184 -8.712 9.689 1.00 32.31 O ATOM 0 H GLY A 102 2.962 -4.889 11.486 1.00 5.41 H new ATOM 0 HA2 GLY A 102 4.077 -6.769 10.946 1.00 62.12 H new ATOM 0 HA3 GLY A 102 2.937 -7.710 11.887 1.00 62.12 H new ATOM 1669 N VAL A 103 2.149 -6.627 8.850 1.00 70.12 N ATOM 1670 CA VAL A 103 1.512 -7.030 7.589 1.00 34.33 C ATOM 1671 C VAL A 103 2.521 -7.109 6.431 1.00 64.24 C ATOM 1672 O VAL A 103 3.269 -6.161 6.174 1.00 63.11 O ATOM 1673 CB VAL A 103 0.368 -6.062 7.199 1.00 51.53 C ATOM 1674 CG1 VAL A 103 -0.314 -6.522 5.911 1.00 52.44 C ATOM 1675 CG2 VAL A 103 -0.642 -5.938 8.339 1.00 42.14 C ATOM 0 H VAL A 103 2.369 -5.633 8.912 1.00 70.12 H new ATOM 0 HA VAL A 103 1.100 -8.025 7.761 1.00 34.33 H new ATOM 0 HB VAL A 103 0.798 -5.077 7.018 1.00 51.53 H new ATOM 0 HG11 VAL A 103 -1.115 -5.828 5.655 1.00 52.44 H new ATOM 0 HG12 VAL A 103 0.416 -6.548 5.102 1.00 52.44 H new ATOM 0 HG13 VAL A 103 -0.731 -7.519 6.056 1.00 52.44 H new ATOM 0 HG21 VAL A 103 -1.438 -5.254 8.047 1.00 42.14 H new ATOM 0 HG22 VAL A 103 -1.067 -6.918 8.557 1.00 42.14 H new ATOM 0 HG23 VAL A 103 -0.142 -5.554 9.228 1.00 42.14 H new ATOM 1685 N VAL A 104 2.524 -8.250 5.737 1.00 61.33 N ATOM 1686 CA VAL A 104 3.402 -8.476 4.581 1.00 43.54 C ATOM 1687 C VAL A 104 2.629 -8.298 3.259 1.00 21.34 C ATOM 1688 O VAL A 104 1.416 -8.493 3.210 1.00 64.43 O ATOM 1689 CB VAL A 104 4.010 -9.903 4.630 1.00 23.22 C ATOM 1690 CG1 VAL A 104 5.017 -10.113 3.504 1.00 4.23 C ATOM 1691 CG2 VAL A 104 4.653 -10.175 5.990 1.00 15.51 C ATOM 0 H VAL A 104 1.921 -9.042 5.958 1.00 61.33 H new ATOM 0 HA VAL A 104 4.204 -7.739 4.625 1.00 43.54 H new ATOM 0 HB VAL A 104 3.197 -10.615 4.489 1.00 23.22 H new ATOM 0 HG11 VAL A 104 5.426 -11.122 3.565 1.00 4.23 H new ATOM 0 HG12 VAL A 104 4.521 -9.980 2.543 1.00 4.23 H new ATOM 0 HG13 VAL A 104 5.825 -9.388 3.599 1.00 4.23 H new ATOM 0 HG21 VAL A 104 5.072 -11.181 6.000 1.00 15.51 H new ATOM 0 HG22 VAL A 104 5.447 -9.450 6.169 1.00 15.51 H new ATOM 0 HG23 VAL A 104 3.899 -10.088 6.773 1.00 15.51 H new ATOM 1701 N LEU A 105 3.334 -7.928 2.185 1.00 61.32 N ATOM 1702 CA LEU A 105 2.692 -7.697 0.882 1.00 74.12 C ATOM 1703 C LEU A 105 2.608 -8.975 0.021 1.00 50.33 C ATOM 1704 O LEU A 105 3.627 -9.517 -0.426 1.00 33.05 O ATOM 1705 CB LEU A 105 3.433 -6.598 0.105 1.00 43.54 C ATOM 1706 CG LEU A 105 3.392 -5.193 0.734 1.00 30.34 C ATOM 1707 CD1 LEU A 105 4.134 -4.188 -0.145 1.00 53.40 C ATOM 1708 CD2 LEU A 105 1.946 -4.743 0.966 1.00 31.51 C ATOM 0 H LEU A 105 4.344 -7.782 2.189 1.00 61.32 H new ATOM 0 HA LEU A 105 1.671 -7.378 1.092 1.00 74.12 H new ATOM 0 HB2 LEU A 105 4.476 -6.896 -0.005 1.00 43.54 H new ATOM 0 HB3 LEU A 105 3.010 -6.540 -0.898 1.00 43.54 H new ATOM 0 HG LEU A 105 3.893 -5.239 1.701 1.00 30.34 H new ATOM 0 HD11 LEU A 105 4.094 -3.201 0.317 1.00 53.40 H new ATOM 0 HD12 LEU A 105 5.174 -4.496 -0.252 1.00 53.40 H new ATOM 0 HD13 LEU A 105 3.665 -4.148 -1.128 1.00 53.40 H new ATOM 0 HD21 LEU A 105 1.942 -3.748 1.411 1.00 31.51 H new ATOM 0 HD22 LEU A 105 1.416 -4.717 0.014 1.00 31.51 H new ATOM 0 HD23 LEU A 105 1.450 -5.443 1.638 1.00 31.51 H new ATOM 1720 N LEU A 106 1.386 -9.458 -0.191 1.00 35.44 N ATOM 1721 CA LEU A 106 1.113 -10.541 -1.146 1.00 13.15 C ATOM 1722 C LEU A 106 -0.231 -10.293 -1.854 1.00 2.01 C ATOM 1723 O LEU A 106 -0.988 -9.425 -1.449 1.00 4.11 O ATOM 1724 CB LEU A 106 1.127 -11.926 -0.465 1.00 31.41 C ATOM 1725 CG LEU A 106 0.189 -12.109 0.744 1.00 30.45 C ATOM 1726 CD1 LEU A 106 -0.047 -13.591 1.029 1.00 11.21 C ATOM 1727 CD2 LEU A 106 0.758 -11.423 1.987 1.00 63.12 C ATOM 0 H LEU A 106 0.556 -9.114 0.291 1.00 35.44 H new ATOM 0 HA LEU A 106 1.911 -10.542 -1.888 1.00 13.15 H new ATOM 0 HB2 LEU A 106 0.870 -12.676 -1.213 1.00 31.41 H new ATOM 0 HB3 LEU A 106 2.146 -12.136 -0.141 1.00 31.41 H new ATOM 0 HG LEU A 106 -0.765 -11.644 0.496 1.00 30.45 H new ATOM 0 HD11 LEU A 106 -0.712 -13.695 1.886 1.00 11.21 H new ATOM 0 HD12 LEU A 106 -0.502 -14.061 0.157 1.00 11.21 H new ATOM 0 HD13 LEU A 106 0.905 -14.076 1.247 1.00 11.21 H new ATOM 0 HD21 LEU A 106 0.077 -11.567 2.826 1.00 63.12 H new ATOM 0 HD22 LEU A 106 1.729 -11.856 2.229 1.00 63.12 H new ATOM 0 HD23 LEU A 106 0.874 -10.357 1.793 1.00 63.12 H new ATOM 1739 N ASN A 107 -0.512 -11.053 -2.910 1.00 51.44 N ATOM 1740 CA ASN A 107 -1.731 -10.875 -3.717 1.00 2.12 C ATOM 1741 C ASN A 107 -1.869 -9.434 -4.256 1.00 73.00 C ATOM 1742 O ASN A 107 -2.606 -8.619 -3.695 1.00 13.44 O ATOM 1743 CB ASN A 107 -3.003 -11.229 -2.930 1.00 53.55 C ATOM 1744 CG ASN A 107 -2.855 -12.429 -2.018 1.00 74.54 C ATOM 1745 OD1 ASN A 107 -2.024 -13.308 -2.237 1.00 51.51 O ATOM 1746 ND2 ASN A 107 -3.697 -12.491 -1.004 1.00 41.24 N ATOM 0 H ASN A 107 0.092 -11.808 -3.235 1.00 51.44 H new ATOM 0 HA ASN A 107 -1.626 -11.562 -4.557 1.00 2.12 H new ATOM 0 HB2 ASN A 107 -3.299 -10.367 -2.332 1.00 53.55 H new ATOM 0 HB3 ASN A 107 -3.812 -11.420 -3.635 1.00 53.55 H new ATOM 0 HD21 ASN A 107 -3.672 -13.289 -0.369 1.00 41.24 H new ATOM 0 HD22 ASN A 107 -4.372 -11.741 -0.855 1.00 41.24 H new ATOM 1753 N PRO A 108 -1.158 -9.091 -5.343 1.00 14.22 N ATOM 1754 CA PRO A 108 -1.295 -7.772 -5.976 1.00 61.34 C ATOM 1755 C PRO A 108 -2.628 -7.638 -6.732 1.00 71.24 C ATOM 1756 O PRO A 108 -2.799 -8.204 -7.814 1.00 31.13 O ATOM 1757 CB PRO A 108 -0.101 -7.717 -6.935 1.00 64.12 C ATOM 1758 CG PRO A 108 0.183 -9.146 -7.266 1.00 34.35 C ATOM 1759 CD PRO A 108 -0.174 -9.944 -6.037 1.00 2.44 C ATOM 0 HA PRO A 108 -1.301 -6.956 -5.253 1.00 61.34 H new ATOM 0 HB2 PRO A 108 -0.338 -7.142 -7.830 1.00 64.12 H new ATOM 0 HB3 PRO A 108 0.761 -7.239 -6.468 1.00 64.12 H new ATOM 0 HG2 PRO A 108 -0.405 -9.470 -8.125 1.00 34.35 H new ATOM 0 HG3 PRO A 108 1.232 -9.283 -7.528 1.00 34.35 H new ATOM 0 HD2 PRO A 108 -0.598 -10.914 -6.298 1.00 2.44 H new ATOM 0 HD3 PRO A 108 0.700 -10.135 -5.415 1.00 2.44 H new ATOM 1767 N ILE A 109 -3.577 -6.907 -6.142 1.00 62.31 N ATOM 1768 CA ILE A 109 -4.910 -6.742 -6.733 1.00 12.13 C ATOM 1769 C ILE A 109 -4.846 -5.937 -8.044 1.00 75.34 C ATOM 1770 O ILE A 109 -4.605 -4.727 -8.025 1.00 22.50 O ATOM 1771 CB ILE A 109 -5.879 -6.042 -5.744 1.00 12.11 C ATOM 1772 CG1 ILE A 109 -5.984 -6.841 -4.432 1.00 12.43 C ATOM 1773 CG2 ILE A 109 -7.262 -5.855 -6.375 1.00 50.42 C ATOM 1774 CD1 ILE A 109 -6.485 -8.264 -4.608 1.00 15.03 C ATOM 0 H ILE A 109 -3.448 -6.419 -5.255 1.00 62.31 H new ATOM 0 HA ILE A 109 -5.287 -7.741 -6.952 1.00 12.13 H new ATOM 0 HB ILE A 109 -5.476 -5.056 -5.514 1.00 12.11 H new ATOM 0 HG12 ILE A 109 -5.003 -6.869 -3.957 1.00 12.43 H new ATOM 0 HG13 ILE A 109 -6.652 -6.314 -3.751 1.00 12.43 H new ATOM 0 HG21 ILE A 109 -7.923 -5.362 -5.662 1.00 50.42 H new ATOM 0 HG22 ILE A 109 -7.173 -5.242 -7.272 1.00 50.42 H new ATOM 0 HG23 ILE A 109 -7.675 -6.828 -6.641 1.00 50.42 H new ATOM 0 HD11 ILE A 109 -6.529 -8.757 -3.637 1.00 15.03 H new ATOM 0 HD12 ILE A 109 -7.480 -8.247 -5.052 1.00 15.03 H new ATOM 0 HD13 ILE A 109 -5.805 -8.811 -5.262 1.00 15.03 H new ATOM 1786 N PRO A 110 -5.081 -6.598 -9.198 1.00 13.32 N ATOM 1787 CA PRO A 110 -4.948 -5.965 -10.523 1.00 64.34 C ATOM 1788 C PRO A 110 -6.040 -4.923 -10.811 1.00 41.05 C ATOM 1789 O PRO A 110 -7.148 -4.992 -10.270 1.00 63.41 O ATOM 1790 CB PRO A 110 -5.062 -7.150 -11.491 1.00 44.43 C ATOM 1791 CG PRO A 110 -5.884 -8.156 -10.759 1.00 72.12 C ATOM 1792 CD PRO A 110 -5.513 -8.009 -9.306 1.00 53.13 C ATOM 0 HA PRO A 110 -4.015 -5.407 -10.609 1.00 64.34 H new ATOM 0 HB2 PRO A 110 -5.538 -6.854 -12.426 1.00 44.43 H new ATOM 0 HB3 PRO A 110 -4.080 -7.550 -11.746 1.00 44.43 H new ATOM 0 HG2 PRO A 110 -6.948 -7.977 -10.911 1.00 72.12 H new ATOM 0 HG3 PRO A 110 -5.677 -9.165 -11.116 1.00 72.12 H new ATOM 0 HD2 PRO A 110 -6.360 -8.220 -8.653 1.00 53.13 H new ATOM 0 HD3 PRO A 110 -4.714 -8.695 -9.025 1.00 53.13 H new