USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 808 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 29 TYR OH : rot -24:sc= 0.976 USER MOD Set 1.2: A 97 THR OG1 : rot -40:sc= 0.103 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00574) USER MOD Single : A 33 HIS : no HD1:sc= -0.16 K(o=-0.16,f=-7.5!) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 40 LYS NZ :NH3+ -176:sc= -0.426 (180deg=-0.444) USER MOD Single : A 49 SER OG : rot 180:sc= 0.0914 USER MOD Single : A 53 SER OG : rot -23:sc= 0.298! USER MOD Single : A 54 LYS NZ :NH3+ 167:sc= -0.0456 (180deg=-0.269) USER MOD Single : A 57 CYS SG : rot 180:sc= -0.284 USER MOD Single : A 58 GLN : amide:sc= -0.106 K(o=-0.11,f=-1.1!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 70:sc= 0.422 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.0244 X(o=-0.024,f=0) USER MOD Single : A 76 LYS NZ :NH3+ 171:sc=-0.00303 (180deg=-0.105) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.449 K(o=-0.45,f=-2.1) USER MOD Single : A 81 THR OG1 : rot 77:sc= 0.718 USER MOD Single : A 83 CYS SG : rot 58:sc= 0.554 USER MOD Single : A 87 CYS SG : rot -160:sc= -0.797 USER MOD Single : A 89 HIS : no HD1:sc= 0.0207 K(o=0.021,f=-1.3) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 175:sc=-0.00309 (180deg=-0.0322) USER MOD Single : A 101 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.219) USER MOD Single : A 102 GLN : amide:sc= -0.388 K(o=-0.39,f=1) USER MOD Single : A 107 HIS : no HD1:sc= -0.326 K(o=-0.33,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 177 N ALA A 13 -3.882 2.731 3.277 1.00 51.52 N ATOM 178 CA ALA A 13 -3.089 1.818 4.090 1.00 20.22 C ATOM 179 C ALA A 13 -3.942 0.667 4.614 1.00 24.03 C ATOM 180 O ALA A 13 -3.481 -0.471 4.701 1.00 61.25 O ATOM 181 CB ALA A 13 -2.441 2.567 5.246 1.00 74.23 C ATOM 0 HA ALA A 13 -2.305 1.397 3.460 1.00 20.22 H new ATOM 0 HB1 ALA A 13 -1.852 1.872 5.845 1.00 74.23 H new ATOM 0 HB2 ALA A 13 -1.791 3.350 4.854 1.00 74.23 H new ATOM 0 HB3 ALA A 13 -3.215 3.016 5.868 1.00 74.23 H new ATOM 187 N ASP A 14 -5.187 0.972 4.964 1.00 44.31 N ATOM 188 CA ASP A 14 -6.105 -0.037 5.480 1.00 62.35 C ATOM 189 C ASP A 14 -6.263 -1.185 4.489 1.00 65.52 C ATOM 190 O ASP A 14 -6.617 -2.301 4.869 1.00 43.34 O ATOM 191 CB ASP A 14 -7.469 0.588 5.777 1.00 63.45 C ATOM 192 CG ASP A 14 -7.924 0.335 7.201 1.00 62.12 C ATOM 193 OD1 ASP A 14 -8.483 -0.751 7.461 1.00 12.33 O ATOM 194 OD2 ASP A 14 -7.720 1.223 8.054 1.00 12.52 O ATOM 0 H ASP A 14 -5.584 1.910 4.900 1.00 44.31 H new ATOM 0 HA ASP A 14 -5.687 -0.434 6.405 1.00 62.35 H new ATOM 0 HB2 ASP A 14 -7.419 1.662 5.600 1.00 63.45 H new ATOM 0 HB3 ASP A 14 -8.209 0.185 5.085 1.00 63.45 H new ATOM 199 N GLU A 15 -5.997 -0.904 3.217 1.00 72.54 N ATOM 200 CA GLU A 15 -6.112 -1.914 2.171 1.00 1.10 C ATOM 201 C GLU A 15 -4.770 -2.597 1.925 1.00 24.01 C ATOM 202 O GLU A 15 -4.710 -3.799 1.663 1.00 61.22 O ATOM 203 CB GLU A 15 -6.621 -1.282 0.875 1.00 44.02 C ATOM 204 CG GLU A 15 -8.113 -1.465 0.653 1.00 3.53 C ATOM 205 CD GLU A 15 -8.877 -0.155 0.721 1.00 64.35 C ATOM 206 OE1 GLU A 15 -8.400 0.841 0.140 1.00 44.35 O ATOM 207 OE2 GLU A 15 -9.952 -0.128 1.355 1.00 34.41 O ATOM 0 H GLU A 15 -5.701 0.014 2.886 1.00 72.54 H new ATOM 0 HA GLU A 15 -6.827 -2.666 2.504 1.00 1.10 H new ATOM 0 HB2 GLU A 15 -6.392 -0.216 0.886 1.00 44.02 H new ATOM 0 HB3 GLU A 15 -6.081 -1.715 0.033 1.00 44.02 H new ATOM 0 HG2 GLU A 15 -8.278 -1.928 -0.320 1.00 3.53 H new ATOM 0 HG3 GLU A 15 -8.507 -2.151 1.403 1.00 3.53 H new ATOM 214 N LEU A 16 -3.694 -1.821 2.009 1.00 22.31 N ATOM 215 CA LEU A 16 -2.351 -2.350 1.795 1.00 2.11 C ATOM 216 C LEU A 16 -1.957 -3.305 2.917 1.00 60.13 C ATOM 217 O LEU A 16 -1.287 -4.311 2.680 1.00 2.43 O ATOM 218 CB LEU A 16 -1.340 -1.205 1.706 1.00 62.03 C ATOM 219 CG LEU A 16 0.114 -1.612 1.457 1.00 53.51 C ATOM 220 CD1 LEU A 16 0.803 -1.955 2.768 1.00 32.51 C ATOM 221 CD2 LEU A 16 0.181 -2.787 0.493 1.00 51.24 C ATOM 0 H LEU A 16 -3.726 -0.824 2.224 1.00 22.31 H new ATOM 0 HA LEU A 16 -2.350 -2.903 0.855 1.00 2.11 H new ATOM 0 HB2 LEU A 16 -1.651 -0.534 0.905 1.00 62.03 H new ATOM 0 HB3 LEU A 16 -1.383 -0.636 2.634 1.00 62.03 H new ATOM 0 HG LEU A 16 0.636 -0.768 1.006 1.00 53.51 H new ATOM 0 HD11 LEU A 16 1.836 -2.242 2.572 1.00 32.51 H new ATOM 0 HD12 LEU A 16 0.787 -1.086 3.426 1.00 32.51 H new ATOM 0 HD13 LEU A 16 0.281 -2.783 3.248 1.00 32.51 H new ATOM 0 HD21 LEU A 16 1.222 -3.063 0.327 1.00 51.24 H new ATOM 0 HD22 LEU A 16 -0.356 -3.636 0.916 1.00 51.24 H new ATOM 0 HD23 LEU A 16 -0.275 -2.505 -0.456 1.00 51.24 H new ATOM 233 N GLU A 17 -2.379 -2.985 4.136 1.00 65.22 N ATOM 234 CA GLU A 17 -2.070 -3.818 5.293 1.00 3.53 C ATOM 235 C GLU A 17 -3.079 -4.953 5.431 1.00 23.33 C ATOM 236 O GLU A 17 -2.914 -5.847 6.261 1.00 2.22 O ATOM 237 CB GLU A 17 -2.058 -2.971 6.568 1.00 35.20 C ATOM 238 CG GLU A 17 -0.730 -2.282 6.831 1.00 71.45 C ATOM 239 CD GLU A 17 -0.634 -1.716 8.233 1.00 10.03 C ATOM 240 OE1 GLU A 17 -0.471 -2.509 9.184 1.00 72.41 O ATOM 241 OE2 GLU A 17 -0.720 -0.479 8.381 1.00 43.12 O ATOM 0 H GLU A 17 -2.935 -2.156 4.348 1.00 65.22 H new ATOM 0 HA GLU A 17 -1.081 -4.252 5.144 1.00 3.53 H new ATOM 0 HB2 GLU A 17 -2.841 -2.216 6.500 1.00 35.20 H new ATOM 0 HB3 GLU A 17 -2.302 -3.607 7.419 1.00 35.20 H new ATOM 0 HG2 GLU A 17 0.081 -2.993 6.674 1.00 71.45 H new ATOM 0 HG3 GLU A 17 -0.593 -1.478 6.108 1.00 71.45 H new ATOM 248 N ARG A 18 -4.125 -4.911 4.612 1.00 10.44 N ATOM 249 CA ARG A 18 -5.163 -5.934 4.644 1.00 64.11 C ATOM 250 C ARG A 18 -4.814 -7.091 3.712 1.00 23.03 C ATOM 251 O ARG A 18 -5.151 -8.244 3.985 1.00 50.32 O ATOM 252 CB ARG A 18 -6.512 -5.335 4.246 1.00 13.34 C ATOM 253 CG ARG A 18 -7.500 -5.240 5.399 1.00 72.13 C ATOM 254 CD ARG A 18 -8.871 -5.765 5.001 1.00 32.32 C ATOM 255 NE ARG A 18 -9.945 -5.104 5.739 1.00 23.52 N ATOM 256 CZ ARG A 18 -11.227 -5.430 5.620 1.00 63.24 C ATOM 257 NH1 ARG A 18 -11.593 -6.402 4.796 1.00 41.12 N ATOM 258 NH2 ARG A 18 -12.145 -4.782 6.325 1.00 14.10 N ATOM 0 H ARG A 18 -4.276 -4.179 3.918 1.00 10.44 H new ATOM 0 HA ARG A 18 -5.230 -6.317 5.662 1.00 64.11 H new ATOM 0 HB2 ARG A 18 -6.350 -4.339 3.834 1.00 13.34 H new ATOM 0 HB3 ARG A 18 -6.949 -5.941 3.453 1.00 13.34 H new ATOM 0 HG2 ARG A 18 -7.124 -5.808 6.250 1.00 72.13 H new ATOM 0 HG3 ARG A 18 -7.586 -4.202 5.722 1.00 72.13 H new ATOM 0 HD2 ARG A 18 -9.020 -5.615 3.932 1.00 32.32 H new ATOM 0 HD3 ARG A 18 -8.915 -6.839 5.182 1.00 32.32 H new ATOM 0 HE ARG A 18 -9.697 -4.351 6.381 1.00 23.52 H new ATOM 0 HH11 ARG A 18 -10.889 -6.901 4.252 1.00 41.12 H new ATOM 0 HH12 ARG A 18 -12.578 -6.651 4.706 1.00 41.12 H new ATOM 0 HH21 ARG A 18 -11.866 -4.033 6.959 1.00 14.10 H new ATOM 0 HH22 ARG A 18 -13.129 -5.033 6.233 1.00 14.10 H new ATOM 272 N ILE A 19 -4.136 -6.775 2.614 1.00 52.25 N ATOM 273 CA ILE A 19 -3.741 -7.788 1.643 1.00 30.12 C ATOM 274 C ILE A 19 -2.601 -8.648 2.179 1.00 45.13 C ATOM 275 O ILE A 19 -1.658 -8.139 2.784 1.00 33.14 O ATOM 276 CB ILE A 19 -3.307 -7.151 0.310 1.00 24.41 C ATOM 277 CG1 ILE A 19 -4.482 -6.416 -0.337 1.00 25.14 C ATOM 278 CG2 ILE A 19 -2.757 -8.213 -0.630 1.00 74.55 C ATOM 279 CD1 ILE A 19 -4.097 -5.095 -0.964 1.00 4.33 C ATOM 0 H ILE A 19 -3.849 -5.826 2.375 1.00 52.25 H new ATOM 0 HA ILE A 19 -4.615 -8.416 1.468 1.00 30.12 H new ATOM 0 HB ILE A 19 -2.517 -6.427 0.511 1.00 24.41 H new ATOM 0 HG12 ILE A 19 -4.924 -7.056 -1.100 1.00 25.14 H new ATOM 0 HG13 ILE A 19 -5.250 -6.241 0.417 1.00 25.14 H new ATOM 0 HG21 ILE A 19 -2.454 -7.747 -1.568 1.00 74.55 H new ATOM 0 HG22 ILE A 19 -1.895 -8.695 -0.170 1.00 74.55 H new ATOM 0 HG23 ILE A 19 -3.527 -8.959 -0.827 1.00 74.55 H new ATOM 0 HD11 ILE A 19 -4.979 -4.630 -1.403 1.00 4.33 H new ATOM 0 HD12 ILE A 19 -3.682 -4.437 -0.200 1.00 4.33 H new ATOM 0 HD13 ILE A 19 -3.352 -5.265 -1.741 1.00 4.33 H new ATOM 291 N ARG A 20 -2.694 -9.953 1.948 1.00 64.44 N ATOM 292 CA ARG A 20 -1.669 -10.884 2.407 1.00 31.00 C ATOM 293 C ARG A 20 -0.839 -11.399 1.235 1.00 74.43 C ATOM 294 O ARG A 20 -1.362 -11.632 0.144 1.00 12.32 O ATOM 295 CB ARG A 20 -2.312 -12.059 3.146 1.00 72.44 C ATOM 296 CG ARG A 20 -1.485 -12.570 4.315 1.00 51.34 C ATOM 297 CD ARG A 20 -0.742 -13.847 3.956 1.00 55.24 C ATOM 298 NE ARG A 20 0.672 -13.600 3.689 1.00 71.24 N ATOM 299 CZ ARG A 20 1.656 -14.309 4.230 1.00 64.34 C ATOM 300 NH1 ARG A 20 1.382 -15.303 5.063 1.00 71.14 N ATOM 301 NH2 ARG A 20 2.920 -14.025 3.936 1.00 14.04 N ATOM 0 H ARG A 20 -3.467 -10.390 1.446 1.00 64.44 H new ATOM 0 HA ARG A 20 -1.009 -10.351 3.091 1.00 31.00 H new ATOM 0 HB2 ARG A 20 -3.293 -11.754 3.511 1.00 72.44 H new ATOM 0 HB3 ARG A 20 -2.474 -12.875 2.442 1.00 72.44 H new ATOM 0 HG2 ARG A 20 -0.770 -11.805 4.618 1.00 51.34 H new ATOM 0 HG3 ARG A 20 -2.136 -12.755 5.169 1.00 51.34 H new ATOM 0 HD2 ARG A 20 -0.837 -14.563 4.772 1.00 55.24 H new ATOM 0 HD3 ARG A 20 -1.203 -14.300 3.078 1.00 55.24 H new ATOM 0 HE ARG A 20 0.917 -12.842 3.052 1.00 71.24 H new ATOM 0 HH11 ARG A 20 0.413 -15.525 5.290 1.00 71.14 H new ATOM 0 HH12 ARG A 20 2.140 -15.845 5.477 1.00 71.14 H new ATOM 0 HH21 ARG A 20 3.135 -13.262 3.294 1.00 14.04 H new ATOM 0 HH22 ARG A 20 3.675 -14.570 4.352 1.00 14.04 H new ATOM 315 N LEU A 21 0.457 -11.576 1.467 1.00 60.42 N ATOM 316 CA LEU A 21 1.360 -12.064 0.431 1.00 63.11 C ATOM 317 C LEU A 21 0.974 -13.471 -0.010 1.00 33.32 C ATOM 318 O LEU A 21 1.252 -13.877 -1.139 1.00 51.12 O ATOM 319 CB LEU A 21 2.804 -12.054 0.939 1.00 32.20 C ATOM 320 CG LEU A 21 3.240 -10.799 1.695 1.00 4.12 C ATOM 321 CD1 LEU A 21 4.376 -11.121 2.654 1.00 63.44 C ATOM 322 CD2 LEU A 21 3.656 -9.706 0.721 1.00 72.31 C ATOM 0 H LEU A 21 0.906 -11.389 2.364 1.00 60.42 H new ATOM 0 HA LEU A 21 1.279 -11.399 -0.429 1.00 63.11 H new ATOM 0 HB2 LEU A 21 2.944 -12.915 1.593 1.00 32.20 H new ATOM 0 HB3 LEU A 21 3.469 -12.190 0.086 1.00 32.20 H new ATOM 0 HG LEU A 21 2.392 -10.436 2.276 1.00 4.12 H new ATOM 0 HD11 LEU A 21 4.673 -10.216 3.183 1.00 63.44 H new ATOM 0 HD12 LEU A 21 4.044 -11.869 3.373 1.00 63.44 H new ATOM 0 HD13 LEU A 21 5.226 -11.509 2.093 1.00 63.44 H new ATOM 0 HD21 LEU A 21 3.963 -8.820 1.277 1.00 72.31 H new ATOM 0 HD22 LEU A 21 4.488 -10.059 0.112 1.00 72.31 H new ATOM 0 HD23 LEU A 21 2.815 -9.455 0.075 1.00 72.31 H new ATOM 334 N ARG A 22 0.330 -14.211 0.887 1.00 63.43 N ATOM 335 CA ARG A 22 -0.095 -15.574 0.590 1.00 21.52 C ATOM 336 C ARG A 22 -1.618 -15.677 0.579 1.00 25.52 C ATOM 337 O ARG A 22 -2.324 -14.854 1.159 1.00 13.12 O ATOM 338 CB ARG A 22 0.486 -16.548 1.616 1.00 1.44 C ATOM 339 CG ARG A 22 1.961 -16.848 1.405 1.00 3.52 C ATOM 340 CD ARG A 22 2.451 -17.929 2.356 1.00 42.25 C ATOM 341 NE ARG A 22 2.944 -19.103 1.641 1.00 63.15 N ATOM 342 CZ ARG A 22 3.632 -20.081 2.220 1.00 15.32 C ATOM 343 NH1 ARG A 22 3.905 -20.027 3.516 1.00 40.32 N ATOM 344 NH2 ARG A 22 4.046 -21.118 1.503 1.00 45.42 N ATOM 0 H ARG A 22 0.091 -13.890 1.825 1.00 63.43 H new ATOM 0 HA ARG A 22 0.278 -15.837 -0.400 1.00 21.52 H new ATOM 0 HB2 ARG A 22 0.347 -16.135 2.615 1.00 1.44 H new ATOM 0 HB3 ARG A 22 -0.075 -17.482 1.576 1.00 1.44 H new ATOM 0 HG2 ARG A 22 2.125 -17.166 0.375 1.00 3.52 H new ATOM 0 HG3 ARG A 22 2.543 -15.939 1.555 1.00 3.52 H new ATOM 0 HD2 ARG A 22 3.246 -17.527 2.984 1.00 42.25 H new ATOM 0 HD3 ARG A 22 1.638 -18.223 3.020 1.00 42.25 H new ATOM 0 HE ARG A 22 2.749 -19.176 0.642 1.00 63.15 H new ATOM 0 HH11 ARG A 22 3.587 -19.233 4.072 1.00 40.32 H new ATOM 0 HH12 ARG A 22 4.433 -20.779 3.958 1.00 40.32 H new ATOM 0 HH21 ARG A 22 3.836 -21.165 0.506 1.00 45.42 H new ATOM 0 HH22 ARG A 22 4.574 -21.868 1.949 1.00 45.42 H new ATOM 358 N PRO A 23 -2.135 -16.714 -0.097 1.00 51.21 N ATOM 359 CA PRO A 23 -3.579 -16.950 -0.200 1.00 25.23 C ATOM 360 C PRO A 23 -4.191 -17.384 1.127 1.00 3.42 C ATOM 361 O PRO A 23 -5.210 -16.844 1.557 1.00 4.25 O ATOM 362 CB PRO A 23 -3.680 -18.079 -1.230 1.00 14.41 C ATOM 363 CG PRO A 23 -2.373 -18.788 -1.145 1.00 62.24 C ATOM 364 CD PRO A 23 -1.351 -17.735 -0.813 1.00 35.12 C ATOM 0 HA PRO A 23 -4.121 -16.047 -0.481 1.00 25.23 H new ATOM 0 HB2 PRO A 23 -4.509 -18.749 -1.003 1.00 14.41 H new ATOM 0 HB3 PRO A 23 -3.853 -17.686 -2.232 1.00 14.41 H new ATOM 0 HG2 PRO A 23 -2.398 -19.563 -0.378 1.00 62.24 H new ATOM 0 HG3 PRO A 23 -2.134 -19.280 -2.088 1.00 62.24 H new ATOM 0 HD2 PRO A 23 -0.549 -18.135 -0.192 1.00 35.12 H new ATOM 0 HD3 PRO A 23 -0.886 -17.328 -1.711 1.00 35.12 H new ATOM 372 N GLY A 24 -3.563 -18.362 1.773 1.00 45.13 N ATOM 373 CA GLY A 24 -4.061 -18.850 3.046 1.00 72.12 C ATOM 374 C GLY A 24 -3.145 -18.497 4.200 1.00 34.23 C ATOM 375 O GLY A 24 -2.912 -19.316 5.089 1.00 4.41 O ATOM 0 H GLY A 24 -2.718 -18.825 1.437 1.00 45.13 H new ATOM 0 HA2 GLY A 24 -5.050 -18.431 3.230 1.00 72.12 H new ATOM 0 HA3 GLY A 24 -4.177 -19.933 2.996 1.00 72.12 H new ATOM 379 N GLY A 25 -2.623 -17.274 4.188 1.00 23.21 N ATOM 380 CA GLY A 25 -1.732 -16.838 5.247 1.00 52.34 C ATOM 381 C GLY A 25 -2.317 -15.704 6.066 1.00 33.14 C ATOM 382 O GLY A 25 -3.510 -15.413 5.975 1.00 73.32 O ATOM 0 H GLY A 25 -2.801 -16.578 3.464 1.00 23.21 H new ATOM 0 HA2 GLY A 25 -1.513 -17.680 5.903 1.00 52.34 H new ATOM 0 HA3 GLY A 25 -0.785 -16.517 4.812 1.00 52.34 H new ATOM 386 N LYS A 26 -1.477 -15.063 6.871 1.00 20.14 N ATOM 387 CA LYS A 26 -1.916 -13.955 7.711 1.00 32.34 C ATOM 388 C LYS A 26 -0.849 -12.867 7.779 1.00 34.55 C ATOM 389 O LYS A 26 -0.921 -11.965 8.614 1.00 12.43 O ATOM 390 CB LYS A 26 -2.241 -14.456 9.121 1.00 52.44 C ATOM 391 CG LYS A 26 -3.487 -15.320 9.187 1.00 14.02 C ATOM 392 CD LYS A 26 -3.289 -16.516 10.104 1.00 4.22 C ATOM 393 CE LYS A 26 -4.588 -16.921 10.782 1.00 55.02 C ATOM 394 NZ LYS A 26 -4.883 -16.070 11.968 1.00 34.31 N ATOM 0 H LYS A 26 -0.487 -15.292 6.960 1.00 20.14 H new ATOM 0 HA LYS A 26 -2.815 -13.528 7.267 1.00 32.34 H new ATOM 0 HB2 LYS A 26 -1.393 -15.027 9.499 1.00 52.44 H new ATOM 0 HB3 LYS A 26 -2.368 -13.599 9.782 1.00 52.44 H new ATOM 0 HG2 LYS A 26 -4.326 -14.723 9.543 1.00 14.02 H new ATOM 0 HG3 LYS A 26 -3.744 -15.667 8.186 1.00 14.02 H new ATOM 0 HD2 LYS A 26 -2.901 -17.356 9.529 1.00 4.22 H new ATOM 0 HD3 LYS A 26 -2.542 -16.276 10.861 1.00 4.22 H new ATOM 0 HE2 LYS A 26 -5.409 -16.847 10.068 1.00 55.02 H new ATOM 0 HE3 LYS A 26 -4.527 -17.965 11.090 1.00 55.02 H new ATOM 0 HZ1 LYS A 26 -5.776 -16.378 12.402 1.00 34.31 H new ATOM 0 HZ2 LYS A 26 -4.112 -16.160 12.660 1.00 34.31 H new ATOM 0 HZ3 LYS A 26 -4.967 -15.077 11.671 1.00 34.31 H new ATOM 408 N LYS A 27 0.139 -12.958 6.896 1.00 31.24 N ATOM 409 CA LYS A 27 1.220 -11.980 6.853 1.00 35.12 C ATOM 410 C LYS A 27 1.002 -10.977 5.724 1.00 34.51 C ATOM 411 O LYS A 27 1.393 -11.219 4.582 1.00 70.44 O ATOM 412 CB LYS A 27 2.565 -12.685 6.672 1.00 44.12 C ATOM 413 CG LYS A 27 3.583 -12.337 7.744 1.00 4.30 C ATOM 414 CD LYS A 27 4.960 -12.092 7.147 1.00 13.25 C ATOM 415 CE LYS A 27 5.775 -13.375 7.083 1.00 54.02 C ATOM 416 NZ LYS A 27 7.236 -13.109 7.190 1.00 24.10 N ATOM 0 H LYS A 27 0.214 -13.700 6.200 1.00 31.24 H new ATOM 0 HA LYS A 27 1.225 -11.439 7.799 1.00 35.12 H new ATOM 0 HB2 LYS A 27 2.404 -13.763 6.672 1.00 44.12 H new ATOM 0 HB3 LYS A 27 2.974 -12.424 5.696 1.00 44.12 H new ATOM 0 HG2 LYS A 27 3.256 -11.448 8.283 1.00 4.30 H new ATOM 0 HG3 LYS A 27 3.639 -13.148 8.471 1.00 4.30 H new ATOM 0 HD2 LYS A 27 4.855 -11.676 6.145 1.00 13.25 H new ATOM 0 HD3 LYS A 27 5.491 -11.352 7.745 1.00 13.25 H new ATOM 0 HE2 LYS A 27 5.467 -14.042 7.889 1.00 54.02 H new ATOM 0 HE3 LYS A 27 5.567 -13.891 6.146 1.00 54.02 H new ATOM 0 HZ1 LYS A 27 7.757 -14.008 7.142 1.00 24.10 H new ATOM 0 HZ2 LYS A 27 7.535 -12.494 6.407 1.00 24.10 H new ATOM 0 HZ3 LYS A 27 7.438 -12.640 8.096 1.00 24.10 H new ATOM 430 N LYS A 28 0.378 -9.851 6.051 1.00 71.10 N ATOM 431 CA LYS A 28 0.111 -8.810 5.065 1.00 34.55 C ATOM 432 C LYS A 28 1.374 -8.008 4.766 1.00 53.23 C ATOM 433 O LYS A 28 2.445 -8.296 5.299 1.00 32.32 O ATOM 434 CB LYS A 28 -0.993 -7.876 5.566 1.00 71.23 C ATOM 435 CG LYS A 28 -2.340 -8.559 5.726 1.00 34.33 C ATOM 436 CD LYS A 28 -2.660 -8.825 7.188 1.00 15.12 C ATOM 437 CE LYS A 28 -3.409 -10.137 7.366 1.00 44.13 C ATOM 438 NZ LYS A 28 -4.450 -10.043 8.426 1.00 3.22 N ATOM 0 H LYS A 28 0.047 -9.635 6.992 1.00 71.10 H new ATOM 0 HA LYS A 28 -0.219 -9.291 4.144 1.00 34.55 H new ATOM 0 HB2 LYS A 28 -0.693 -7.454 6.525 1.00 71.23 H new ATOM 0 HB3 LYS A 28 -1.097 -7.044 4.870 1.00 71.23 H new ATOM 0 HG2 LYS A 28 -3.120 -7.935 5.290 1.00 34.33 H new ATOM 0 HG3 LYS A 28 -2.340 -9.500 5.176 1.00 34.33 H new ATOM 0 HD2 LYS A 28 -1.735 -8.852 7.765 1.00 15.12 H new ATOM 0 HD3 LYS A 28 -3.260 -8.006 7.585 1.00 15.12 H new ATOM 0 HE2 LYS A 28 -3.876 -10.419 6.422 1.00 44.13 H new ATOM 0 HE3 LYS A 28 -2.702 -10.927 7.620 1.00 44.13 H new ATOM 0 HZ1 LYS A 28 -4.937 -10.957 8.516 1.00 3.22 H new ATOM 0 HZ2 LYS A 28 -4.002 -9.799 9.332 1.00 3.22 H new ATOM 0 HZ3 LYS A 28 -5.139 -9.307 8.171 1.00 3.22 H new ATOM 452 N TYR A 29 1.239 -7.001 3.911 1.00 62.02 N ATOM 453 CA TYR A 29 2.369 -6.157 3.540 1.00 22.23 C ATOM 454 C TYR A 29 2.735 -5.206 4.676 1.00 71.14 C ATOM 455 O TYR A 29 1.901 -4.883 5.523 1.00 71.54 O ATOM 456 CB TYR A 29 2.044 -5.359 2.276 1.00 71.21 C ATOM 457 CG TYR A 29 2.135 -6.174 1.005 1.00 13.22 C ATOM 458 CD1 TYR A 29 1.037 -6.877 0.527 1.00 34.15 C ATOM 459 CD2 TYR A 29 3.320 -6.239 0.282 1.00 20.34 C ATOM 460 CE1 TYR A 29 1.116 -7.623 -0.633 1.00 15.00 C ATOM 461 CE2 TYR A 29 3.407 -6.982 -0.879 1.00 5.32 C ATOM 462 CZ TYR A 29 2.303 -7.672 -1.332 1.00 73.45 C ATOM 463 OH TYR A 29 2.386 -8.413 -2.489 1.00 53.03 O ATOM 0 H TYR A 29 0.359 -6.749 3.462 1.00 62.02 H new ATOM 0 HA TYR A 29 3.224 -6.804 3.343 1.00 22.23 H new ATOM 0 HB2 TYR A 29 1.038 -4.949 2.364 1.00 71.21 H new ATOM 0 HB3 TYR A 29 2.727 -4.513 2.205 1.00 71.21 H new ATOM 0 HD1 TYR A 29 0.105 -6.840 1.072 1.00 34.15 H new ATOM 0 HD2 TYR A 29 4.187 -5.700 0.634 1.00 20.34 H new ATOM 0 HE1 TYR A 29 0.253 -8.165 -0.990 1.00 15.00 H new ATOM 0 HE2 TYR A 29 4.335 -7.022 -1.429 1.00 5.32 H new ATOM 0 HH TYR A 29 1.699 -9.112 -2.480 1.00 53.03 H new ATOM 473 N ARG A 30 3.986 -4.760 4.685 1.00 64.20 N ATOM 474 CA ARG A 30 4.464 -3.846 5.716 1.00 63.31 C ATOM 475 C ARG A 30 5.420 -2.813 5.126 1.00 72.23 C ATOM 476 O ARG A 30 5.925 -2.981 4.015 1.00 21.51 O ATOM 477 CB ARG A 30 5.162 -4.623 6.833 1.00 54.12 C ATOM 478 CG ARG A 30 6.599 -4.997 6.509 1.00 34.33 C ATOM 479 CD ARG A 30 6.907 -6.430 6.915 1.00 74.13 C ATOM 480 NE ARG A 30 7.467 -6.509 8.262 1.00 62.30 N ATOM 481 CZ ARG A 30 7.919 -7.634 8.804 1.00 21.43 C ATOM 482 NH1 ARG A 30 7.877 -8.768 8.119 1.00 64.42 N ATOM 483 NH2 ARG A 30 8.414 -7.627 10.035 1.00 51.20 N ATOM 0 H ARG A 30 4.687 -5.016 3.990 1.00 64.20 H new ATOM 0 HA ARG A 30 3.602 -3.323 6.131 1.00 63.31 H new ATOM 0 HB2 ARG A 30 5.148 -4.025 7.744 1.00 54.12 H new ATOM 0 HB3 ARG A 30 4.597 -5.532 7.040 1.00 54.12 H new ATOM 0 HG2 ARG A 30 6.776 -4.874 5.440 1.00 34.33 H new ATOM 0 HG3 ARG A 30 7.278 -4.318 7.024 1.00 34.33 H new ATOM 0 HD2 ARG A 30 5.995 -7.025 6.866 1.00 74.13 H new ATOM 0 HD3 ARG A 30 7.610 -6.865 6.204 1.00 74.13 H new ATOM 0 HE ARG A 30 7.513 -5.654 8.816 1.00 62.30 H new ATOM 0 HH11 ARG A 30 7.497 -8.778 7.173 1.00 64.42 H new ATOM 0 HH12 ARG A 30 8.225 -9.630 8.538 1.00 64.42 H new ATOM 0 HH21 ARG A 30 8.448 -6.757 10.566 1.00 51.20 H new ATOM 0 HH22 ARG A 30 8.761 -8.492 10.450 1.00 51.20 H new ATOM 497 N LEU A 31 5.665 -1.745 5.877 1.00 54.12 N ATOM 498 CA LEU A 31 6.560 -0.683 5.429 1.00 72.41 C ATOM 499 C LEU A 31 7.834 -1.266 4.825 1.00 2.44 C ATOM 500 O LEU A 31 8.369 -0.739 3.849 1.00 0.52 O ATOM 501 CB LEU A 31 6.910 0.241 6.596 1.00 63.43 C ATOM 502 CG LEU A 31 6.073 1.514 6.718 1.00 51.11 C ATOM 503 CD1 LEU A 31 4.663 1.183 7.181 1.00 14.13 C ATOM 504 CD2 LEU A 31 6.734 2.497 7.673 1.00 54.41 C ATOM 0 H LEU A 31 5.257 -1.591 6.799 1.00 54.12 H new ATOM 0 HA LEU A 31 6.046 -0.106 4.660 1.00 72.41 H new ATOM 0 HB2 LEU A 31 6.812 -0.324 7.523 1.00 63.43 H new ATOM 0 HB3 LEU A 31 7.958 0.526 6.506 1.00 63.43 H new ATOM 0 HG LEU A 31 6.010 1.981 5.735 1.00 51.11 H new ATOM 0 HD11 LEU A 31 4.082 2.101 7.262 1.00 14.13 H new ATOM 0 HD12 LEU A 31 4.190 0.517 6.459 1.00 14.13 H new ATOM 0 HD13 LEU A 31 4.705 0.693 8.154 1.00 14.13 H new ATOM 0 HD21 LEU A 31 6.124 3.398 7.748 1.00 54.41 H new ATOM 0 HD22 LEU A 31 6.828 2.040 8.658 1.00 54.41 H new ATOM 0 HD23 LEU A 31 7.724 2.759 7.298 1.00 54.41 H new ATOM 516 N LYS A 32 8.315 -2.357 5.411 1.00 41.34 N ATOM 517 CA LYS A 32 9.525 -3.014 4.929 1.00 13.30 C ATOM 518 C LYS A 32 9.409 -3.348 3.446 1.00 40.23 C ATOM 519 O LYS A 32 10.308 -3.047 2.659 1.00 24.13 O ATOM 520 CB LYS A 32 9.790 -4.290 5.731 1.00 32.12 C ATOM 521 CG LYS A 32 11.233 -4.760 5.667 1.00 33.42 C ATOM 522 CD LYS A 32 11.799 -5.013 7.054 1.00 20.10 C ATOM 523 CE LYS A 32 13.319 -5.029 7.041 1.00 24.32 C ATOM 524 NZ LYS A 32 13.855 -6.149 6.219 1.00 23.04 N ATOM 0 H LYS A 32 7.886 -2.805 6.220 1.00 41.34 H new ATOM 0 HA LYS A 32 10.360 -2.327 5.064 1.00 13.30 H new ATOM 0 HB2 LYS A 32 9.519 -4.117 6.773 1.00 32.12 H new ATOM 0 HB3 LYS A 32 9.141 -5.084 5.360 1.00 32.12 H new ATOM 0 HG2 LYS A 32 11.293 -5.674 5.076 1.00 33.42 H new ATOM 0 HG3 LYS A 32 11.838 -4.011 5.157 1.00 33.42 H new ATOM 0 HD2 LYS A 32 11.448 -4.240 7.738 1.00 20.10 H new ATOM 0 HD3 LYS A 32 11.427 -5.966 7.432 1.00 20.10 H new ATOM 0 HE2 LYS A 32 13.689 -4.082 6.649 1.00 24.32 H new ATOM 0 HE3 LYS A 32 13.690 -5.118 8.062 1.00 24.32 H new ATOM 0 HZ1 LYS A 32 14.894 -6.146 6.263 1.00 23.04 H new ATOM 0 HZ2 LYS A 32 13.496 -7.053 6.587 1.00 23.04 H new ATOM 0 HZ3 LYS A 32 13.550 -6.032 5.232 1.00 23.04 H new ATOM 538 N HIS A 33 8.296 -3.969 3.068 1.00 21.22 N ATOM 539 CA HIS A 33 8.062 -4.342 1.677 1.00 73.13 C ATOM 540 C HIS A 33 7.971 -3.102 0.791 1.00 34.33 C ATOM 541 O HIS A 33 8.545 -3.141 -0.297 1.00 71.14 O ATOM 542 CB HIS A 33 6.778 -5.164 1.556 1.00 64.33 C ATOM 543 CG HIS A 33 6.762 -6.379 2.432 1.00 33.22 C ATOM 544 ND1 HIS A 33 5.932 -6.506 3.526 1.00 20.31 N ATOM 545 CD2 HIS A 33 7.479 -7.526 2.371 1.00 42.22 C ATOM 546 CE1 HIS A 33 6.140 -7.679 4.100 1.00 41.42 C ATOM 547 NE2 HIS A 33 7.074 -8.317 3.417 1.00 0.31 N ATOM 0 H HIS A 33 7.542 -4.225 3.705 1.00 21.22 H new ATOM 0 HA HIS A 33 8.905 -4.947 1.342 1.00 73.13 H new ATOM 0 HB2 HIS A 33 5.926 -4.532 1.809 1.00 64.33 H new ATOM 0 HB3 HIS A 33 6.650 -5.472 0.518 1.00 64.33 H new ATOM 0 HD2 HIS A 33 8.230 -7.773 1.636 1.00 42.22 H new ATOM 0 HE1 HIS A 33 5.633 -8.052 4.978 1.00 41.42 H new ATOM 0 HE2 HIS A 33 7.435 -9.246 3.632 1.00 0.31 H new ATOM 555 N ILE A 34 7.289 -2.042 1.213 1.00 42.24 N ATOM 556 CA ILE A 34 7.176 -0.836 0.403 1.00 71.13 C ATOM 557 C ILE A 34 8.546 -0.219 0.139 1.00 34.22 C ATOM 558 O ILE A 34 8.808 0.294 -0.949 1.00 23.42 O ATOM 559 CB ILE A 34 6.273 0.214 1.078 1.00 64.42 C ATOM 560 CG1 ILE A 34 4.944 -0.417 1.496 1.00 74.24 C ATOM 561 CG2 ILE A 34 6.037 1.390 0.142 1.00 21.22 C ATOM 562 CD1 ILE A 34 3.933 0.585 2.006 1.00 52.14 C ATOM 0 H ILE A 34 6.807 -1.994 2.111 1.00 42.24 H new ATOM 0 HA ILE A 34 6.727 -1.134 -0.544 1.00 71.13 H new ATOM 0 HB ILE A 34 6.775 0.582 1.973 1.00 64.42 H new ATOM 0 HG12 ILE A 34 4.519 -0.948 0.644 1.00 74.24 H new ATOM 0 HG13 ILE A 34 5.132 -1.159 2.272 1.00 74.24 H new ATOM 0 HG21 ILE A 34 5.397 2.123 0.633 1.00 21.22 H new ATOM 0 HG22 ILE A 34 6.992 1.852 -0.110 1.00 21.22 H new ATOM 0 HG23 ILE A 34 5.553 1.038 -0.769 1.00 21.22 H new ATOM 0 HD11 ILE A 34 3.015 0.067 2.284 1.00 52.14 H new ATOM 0 HD12 ILE A 34 4.338 1.099 2.878 1.00 52.14 H new ATOM 0 HD13 ILE A 34 3.716 1.313 1.224 1.00 52.14 H new ATOM 574 N VAL A 35 9.415 -0.274 1.142 1.00 64.51 N ATOM 575 CA VAL A 35 10.761 0.276 1.019 1.00 13.44 C ATOM 576 C VAL A 35 11.627 -0.589 0.110 1.00 13.45 C ATOM 577 O VAL A 35 12.388 -0.076 -0.710 1.00 40.42 O ATOM 578 CB VAL A 35 11.443 0.402 2.394 1.00 3.21 C ATOM 579 CG1 VAL A 35 12.856 0.944 2.240 1.00 51.30 C ATOM 580 CG2 VAL A 35 10.621 1.287 3.318 1.00 52.14 C ATOM 0 H VAL A 35 9.212 -0.694 2.049 1.00 64.51 H new ATOM 0 HA VAL A 35 10.659 1.269 0.581 1.00 13.44 H new ATOM 0 HB VAL A 35 11.506 -0.590 2.842 1.00 3.21 H new ATOM 0 HG11 VAL A 35 13.323 1.027 3.221 1.00 51.30 H new ATOM 0 HG12 VAL A 35 13.439 0.267 1.616 1.00 51.30 H new ATOM 0 HG13 VAL A 35 12.819 1.928 1.772 1.00 51.30 H new ATOM 0 HG21 VAL A 35 11.118 1.365 4.285 1.00 52.14 H new ATOM 0 HG22 VAL A 35 10.524 2.280 2.879 1.00 52.14 H new ATOM 0 HG23 VAL A 35 9.631 0.852 3.453 1.00 52.14 H new ATOM 590 N TRP A 36 11.505 -1.902 0.262 1.00 23.21 N ATOM 591 CA TRP A 36 12.279 -2.839 -0.546 1.00 55.10 C ATOM 592 C TRP A 36 11.805 -2.827 -1.995 1.00 31.22 C ATOM 593 O TRP A 36 12.570 -3.131 -2.910 1.00 70.12 O ATOM 594 CB TRP A 36 12.166 -4.252 0.029 1.00 62.24 C ATOM 595 CG TRP A 36 12.792 -5.299 -0.843 1.00 74.22 C ATOM 596 CD1 TRP A 36 14.013 -5.885 -0.672 1.00 61.12 C ATOM 597 CD2 TRP A 36 12.226 -5.882 -2.022 1.00 22.41 C ATOM 598 NE1 TRP A 36 14.242 -6.798 -1.674 1.00 14.33 N ATOM 599 CE2 TRP A 36 13.160 -6.815 -2.514 1.00 42.44 C ATOM 600 CE3 TRP A 36 11.022 -5.709 -2.709 1.00 42.11 C ATOM 601 CZ2 TRP A 36 12.925 -7.568 -3.662 1.00 63.20 C ATOM 602 CZ3 TRP A 36 10.791 -6.457 -3.848 1.00 32.03 C ATOM 603 CH2 TRP A 36 11.738 -7.377 -4.314 1.00 74.32 C ATOM 0 H TRP A 36 10.879 -2.343 0.936 1.00 23.21 H new ATOM 0 HA TRP A 36 13.323 -2.527 -0.522 1.00 55.10 H new ATOM 0 HB2 TRP A 36 12.639 -4.276 1.011 1.00 62.24 H new ATOM 0 HB3 TRP A 36 11.113 -4.494 0.176 1.00 62.24 H new ATOM 0 HD1 TRP A 36 14.699 -5.664 0.133 1.00 61.12 H new ATOM 0 HE1 TRP A 36 15.081 -7.370 -1.775 1.00 14.33 H new ATOM 0 HE3 TRP A 36 10.285 -5.003 -2.356 1.00 42.11 H new ATOM 0 HZ2 TRP A 36 13.654 -8.277 -4.024 1.00 63.20 H new ATOM 0 HZ3 TRP A 36 9.864 -6.330 -4.388 1.00 32.03 H new ATOM 0 HH2 TRP A 36 11.527 -7.947 -5.206 1.00 74.32 H new ATOM 614 N ALA A 37 10.539 -2.476 -2.197 1.00 65.12 N ATOM 615 CA ALA A 37 9.965 -2.423 -3.536 1.00 1.25 C ATOM 616 C ALA A 37 10.574 -1.285 -4.349 1.00 20.41 C ATOM 617 O ALA A 37 10.990 -1.480 -5.491 1.00 53.40 O ATOM 618 CB ALA A 37 8.454 -2.267 -3.456 1.00 12.31 C ATOM 0 H ALA A 37 9.891 -2.224 -1.450 1.00 65.12 H new ATOM 0 HA ALA A 37 10.196 -3.360 -4.042 1.00 1.25 H new ATOM 0 HB1 ALA A 37 8.038 -2.229 -4.463 1.00 12.31 H new ATOM 0 HB2 ALA A 37 8.029 -3.115 -2.920 1.00 12.31 H new ATOM 0 HB3 ALA A 37 8.211 -1.345 -2.928 1.00 12.31 H new ATOM 624 N ALA A 38 10.623 -0.098 -3.753 1.00 60.34 N ATOM 625 CA ALA A 38 11.183 1.069 -4.423 1.00 13.32 C ATOM 626 C ALA A 38 12.679 0.902 -4.662 1.00 64.40 C ATOM 627 O ALA A 38 13.211 1.356 -5.673 1.00 52.04 O ATOM 628 CB ALA A 38 10.914 2.325 -3.607 1.00 31.02 C ATOM 0 H ALA A 38 10.282 0.080 -2.808 1.00 60.34 H new ATOM 0 HA ALA A 38 10.697 1.167 -5.393 1.00 13.32 H new ATOM 0 HB1 ALA A 38 11.338 3.189 -4.119 1.00 31.02 H new ATOM 0 HB2 ALA A 38 9.839 2.462 -3.493 1.00 31.02 H new ATOM 0 HB3 ALA A 38 11.373 2.225 -2.623 1.00 31.02 H new ATOM 634 N ASN A 39 13.353 0.245 -3.722 1.00 50.32 N ATOM 635 CA ASN A 39 14.789 0.018 -3.830 1.00 43.00 C ATOM 636 C ASN A 39 15.126 -0.738 -5.112 1.00 51.45 C ATOM 637 O ASN A 39 16.135 -0.463 -5.761 1.00 40.34 O ATOM 638 CB ASN A 39 15.296 -0.763 -2.616 1.00 44.42 C ATOM 639 CG ASN A 39 16.040 0.119 -1.631 1.00 71.23 C ATOM 640 OD1 ASN A 39 15.592 1.218 -1.304 1.00 64.23 O ATOM 641 ND2 ASN A 39 17.182 -0.362 -1.153 1.00 31.02 N ATOM 0 H ASN A 39 12.927 -0.139 -2.878 1.00 50.32 H new ATOM 0 HA ASN A 39 15.283 0.989 -3.861 1.00 43.00 H new ATOM 0 HB2 ASN A 39 14.452 -1.234 -2.112 1.00 44.42 H new ATOM 0 HB3 ASN A 39 15.955 -1.564 -2.952 1.00 44.42 H new ATOM 0 HD21 ASN A 39 17.726 0.185 -0.486 1.00 31.02 H new ATOM 0 HD22 ASN A 39 17.515 -1.279 -1.453 1.00 31.02 H new ATOM 648 N LYS A 40 14.274 -1.691 -5.472 1.00 34.15 N ATOM 649 CA LYS A 40 14.477 -2.487 -6.675 1.00 61.24 C ATOM 650 C LYS A 40 14.294 -1.635 -7.928 1.00 63.30 C ATOM 651 O LYS A 40 15.012 -1.802 -8.915 1.00 52.21 O ATOM 652 CB LYS A 40 13.504 -3.668 -6.703 1.00 35.10 C ATOM 653 CG LYS A 40 13.941 -4.836 -5.836 1.00 64.14 C ATOM 654 CD LYS A 40 14.552 -5.951 -6.670 1.00 40.35 C ATOM 655 CE LYS A 40 15.755 -6.571 -5.976 1.00 62.35 C ATOM 656 NZ LYS A 40 16.690 -7.204 -6.947 1.00 52.15 N ATOM 0 H LYS A 40 13.434 -1.931 -4.946 1.00 34.15 H new ATOM 0 HA LYS A 40 15.498 -2.867 -6.660 1.00 61.24 H new ATOM 0 HB2 LYS A 40 12.523 -3.328 -6.372 1.00 35.10 H new ATOM 0 HB3 LYS A 40 13.392 -4.012 -7.731 1.00 35.10 H new ATOM 0 HG2 LYS A 40 14.667 -4.492 -5.099 1.00 64.14 H new ATOM 0 HG3 LYS A 40 13.084 -5.221 -5.284 1.00 64.14 H new ATOM 0 HD2 LYS A 40 13.802 -6.720 -6.857 1.00 40.35 H new ATOM 0 HD3 LYS A 40 14.854 -5.557 -7.641 1.00 40.35 H new ATOM 0 HE2 LYS A 40 16.283 -5.804 -5.410 1.00 62.35 H new ATOM 0 HE3 LYS A 40 15.415 -7.318 -5.259 1.00 62.35 H new ATOM 0 HZ1 LYS A 40 17.461 -7.674 -6.431 1.00 52.15 H new ATOM 0 HZ2 LYS A 40 16.176 -7.907 -7.516 1.00 52.15 H new ATOM 0 HZ3 LYS A 40 17.087 -6.474 -7.573 1.00 52.15 H new ATOM 670 N LEU A 41 13.331 -0.721 -7.881 1.00 22.50 N ATOM 671 CA LEU A 41 13.055 0.158 -9.011 1.00 42.52 C ATOM 672 C LEU A 41 14.277 1.004 -9.354 1.00 61.30 C ATOM 673 O LEU A 41 14.732 1.020 -10.498 1.00 0.15 O ATOM 674 CB LEU A 41 11.864 1.066 -8.697 1.00 61.21 C ATOM 675 CG LEU A 41 10.532 0.359 -8.438 1.00 3.21 C ATOM 676 CD1 LEU A 41 9.510 1.337 -7.878 1.00 23.30 C ATOM 677 CD2 LEU A 41 10.013 -0.285 -9.714 1.00 72.44 C ATOM 0 H LEU A 41 12.728 -0.570 -7.072 1.00 22.50 H new ATOM 0 HA LEU A 41 12.813 -0.464 -9.873 1.00 42.52 H new ATOM 0 HB2 LEU A 41 12.111 1.666 -7.821 1.00 61.21 H new ATOM 0 HB3 LEU A 41 11.730 1.757 -9.529 1.00 61.21 H new ATOM 0 HG LEU A 41 10.696 -0.426 -7.700 1.00 3.21 H new ATOM 0 HD11 LEU A 41 8.569 0.817 -7.700 1.00 23.30 H new ATOM 0 HD12 LEU A 41 9.879 1.751 -6.940 1.00 23.30 H new ATOM 0 HD13 LEU A 41 9.349 2.144 -8.593 1.00 23.30 H new ATOM 0 HD21 LEU A 41 9.065 -0.783 -9.511 1.00 72.44 H new ATOM 0 HD22 LEU A 41 9.864 0.482 -10.474 1.00 72.44 H new ATOM 0 HD23 LEU A 41 10.737 -1.016 -10.073 1.00 72.44 H new ATOM 689 N ASP A 42 14.804 1.705 -8.356 1.00 22.41 N ATOM 690 CA ASP A 42 15.975 2.550 -8.551 1.00 4.43 C ATOM 691 C ASP A 42 17.107 1.768 -9.210 1.00 44.23 C ATOM 692 O ASP A 42 17.684 2.212 -10.203 1.00 2.40 O ATOM 693 CB ASP A 42 16.447 3.122 -7.212 1.00 30.45 C ATOM 694 CG ASP A 42 17.868 3.647 -7.275 1.00 14.41 C ATOM 695 OD1 ASP A 42 18.806 2.841 -7.108 1.00 11.12 O ATOM 696 OD2 ASP A 42 18.040 4.866 -7.490 1.00 64.11 O ATOM 0 H ASP A 42 14.438 1.704 -7.404 1.00 22.41 H new ATOM 0 HA ASP A 42 15.693 3.371 -9.210 1.00 4.43 H new ATOM 0 HB2 ASP A 42 15.778 3.928 -6.908 1.00 30.45 H new ATOM 0 HB3 ASP A 42 16.382 2.349 -6.447 1.00 30.45 H new ATOM 701 N ARG A 43 17.419 0.603 -8.652 1.00 13.41 N ATOM 702 CA ARG A 43 18.482 -0.239 -9.185 1.00 43.53 C ATOM 703 C ARG A 43 18.147 -0.711 -10.597 1.00 11.55 C ATOM 704 O ARG A 43 18.895 -0.457 -11.542 1.00 33.45 O ATOM 705 CB ARG A 43 18.711 -1.447 -8.274 1.00 0.22 C ATOM 706 CG ARG A 43 20.163 -1.636 -7.867 1.00 65.33 C ATOM 707 CD ARG A 43 20.297 -1.874 -6.371 1.00 41.25 C ATOM 708 NE ARG A 43 21.691 -2.018 -5.962 1.00 65.34 N ATOM 709 CZ ARG A 43 22.082 -2.090 -4.695 1.00 1.42 C ATOM 710 NH1 ARG A 43 21.188 -2.031 -3.718 1.00 12.43 N ATOM 711 NH2 ARG A 43 23.369 -2.221 -4.402 1.00 62.32 N ATOM 0 H ARG A 43 16.950 0.221 -7.831 1.00 13.41 H new ATOM 0 HA ARG A 43 19.395 0.356 -9.226 1.00 43.53 H new ATOM 0 HB2 ARG A 43 18.103 -1.335 -7.377 1.00 0.22 H new ATOM 0 HB3 ARG A 43 18.365 -2.346 -8.784 1.00 0.22 H new ATOM 0 HG2 ARG A 43 20.587 -2.481 -8.410 1.00 65.33 H new ATOM 0 HG3 ARG A 43 20.739 -0.754 -8.149 1.00 65.33 H new ATOM 0 HD2 ARG A 43 19.845 -1.043 -5.830 1.00 41.25 H new ATOM 0 HD3 ARG A 43 19.744 -2.772 -6.096 1.00 41.25 H new ATOM 0 HE ARG A 43 22.404 -2.066 -6.690 1.00 65.34 H new ATOM 0 HH11 ARG A 43 20.197 -1.930 -3.939 1.00 12.43 H new ATOM 0 HH12 ARG A 43 21.491 -2.087 -2.746 1.00 12.43 H new ATOM 0 HH21 ARG A 43 24.060 -2.267 -5.151 1.00 62.32 H new ATOM 0 HH22 ARG A 43 23.667 -2.276 -3.428 1.00 62.32 H new ATOM 725 N PHE A 44 17.017 -1.397 -10.733 1.00 62.23 N ATOM 726 CA PHE A 44 16.583 -1.906 -12.029 1.00 45.02 C ATOM 727 C PHE A 44 16.655 -0.814 -13.093 1.00 33.32 C ATOM 728 O PHE A 44 17.178 -1.030 -14.185 1.00 25.34 O ATOM 729 CB PHE A 44 15.156 -2.450 -11.935 1.00 14.42 C ATOM 730 CG PHE A 44 15.092 -3.907 -11.577 1.00 11.21 C ATOM 731 CD1 PHE A 44 15.773 -4.849 -12.330 1.00 22.52 C ATOM 732 CD2 PHE A 44 14.352 -4.333 -10.487 1.00 33.12 C ATOM 733 CE1 PHE A 44 15.716 -6.191 -12.003 1.00 52.32 C ATOM 734 CE2 PHE A 44 14.290 -5.674 -10.155 1.00 33.25 C ATOM 735 CZ PHE A 44 14.974 -6.604 -10.913 1.00 4.14 C ATOM 0 H PHE A 44 16.385 -1.613 -9.962 1.00 62.23 H new ATOM 0 HA PHE A 44 17.254 -2.715 -12.318 1.00 45.02 H new ATOM 0 HB2 PHE A 44 14.606 -1.876 -11.189 1.00 14.42 H new ATOM 0 HB3 PHE A 44 14.654 -2.296 -12.890 1.00 14.42 H new ATOM 0 HD1 PHE A 44 16.355 -4.532 -13.182 1.00 22.52 H new ATOM 0 HD2 PHE A 44 13.817 -3.610 -9.889 1.00 33.12 H new ATOM 0 HE1 PHE A 44 16.251 -6.916 -12.599 1.00 52.32 H new ATOM 0 HE2 PHE A 44 13.707 -5.994 -9.304 1.00 33.25 H new ATOM 0 HZ PHE A 44 14.929 -7.652 -10.654 1.00 4.14 H new ATOM 745 N GLY A 45 16.123 0.360 -12.765 1.00 24.15 N ATOM 746 CA GLY A 45 16.136 1.467 -13.703 1.00 1.55 C ATOM 747 C GLY A 45 14.845 2.263 -13.676 1.00 5.31 C ATOM 748 O GLY A 45 14.745 3.318 -14.306 1.00 2.11 O ATOM 0 H GLY A 45 15.684 0.564 -11.867 1.00 24.15 H new ATOM 0 HA2 GLY A 45 16.972 2.127 -13.470 1.00 1.55 H new ATOM 0 HA3 GLY A 45 16.303 1.085 -14.710 1.00 1.55 H new ATOM 752 N LEU A 46 13.855 1.759 -12.949 1.00 22.01 N ATOM 753 CA LEU A 46 12.564 2.430 -12.844 1.00 74.34 C ATOM 754 C LEU A 46 12.551 3.409 -11.675 1.00 61.24 C ATOM 755 O LEU A 46 13.443 3.390 -10.828 1.00 41.13 O ATOM 756 CB LEU A 46 11.445 1.400 -12.674 1.00 23.52 C ATOM 757 CG LEU A 46 10.935 0.745 -13.957 1.00 62.35 C ATOM 758 CD1 LEU A 46 10.888 -0.767 -13.803 1.00 55.14 C ATOM 759 CD2 LEU A 46 9.562 1.289 -14.325 1.00 34.20 C ATOM 0 H LEU A 46 13.921 0.888 -12.423 1.00 22.01 H new ATOM 0 HA LEU A 46 12.398 2.991 -13.764 1.00 74.34 H new ATOM 0 HB2 LEU A 46 11.799 0.615 -12.005 1.00 23.52 H new ATOM 0 HB3 LEU A 46 10.604 1.885 -12.179 1.00 23.52 H new ATOM 0 HG LEU A 46 11.627 0.986 -14.764 1.00 62.35 H new ATOM 0 HD11 LEU A 46 10.522 -1.216 -14.727 1.00 55.14 H new ATOM 0 HD12 LEU A 46 11.889 -1.142 -13.589 1.00 55.14 H new ATOM 0 HD13 LEU A 46 10.219 -1.029 -12.983 1.00 55.14 H new ATOM 0 HD21 LEU A 46 9.215 0.811 -15.241 1.00 34.20 H new ATOM 0 HD22 LEU A 46 8.860 1.080 -13.518 1.00 34.20 H new ATOM 0 HD23 LEU A 46 9.627 2.366 -14.480 1.00 34.20 H new ATOM 771 N ALA A 47 11.534 4.262 -11.637 1.00 12.22 N ATOM 772 CA ALA A 47 11.403 5.247 -10.569 1.00 71.32 C ATOM 773 C ALA A 47 10.385 4.795 -9.528 1.00 52.42 C ATOM 774 O ALA A 47 9.552 3.929 -9.796 1.00 20.35 O ATOM 775 CB ALA A 47 11.008 6.599 -11.144 1.00 61.21 C ATOM 0 H ALA A 47 10.789 4.292 -12.333 1.00 12.22 H new ATOM 0 HA ALA A 47 12.370 5.343 -10.076 1.00 71.32 H new ATOM 0 HB1 ALA A 47 10.914 7.325 -10.336 1.00 61.21 H new ATOM 0 HB2 ALA A 47 11.773 6.934 -11.845 1.00 61.21 H new ATOM 0 HB3 ALA A 47 10.054 6.509 -11.664 1.00 61.21 H new ATOM 781 N GLU A 48 10.457 5.388 -8.340 1.00 72.24 N ATOM 782 CA GLU A 48 9.541 5.044 -7.258 1.00 71.23 C ATOM 783 C GLU A 48 8.253 5.857 -7.358 1.00 33.42 C ATOM 784 O GLU A 48 7.263 5.553 -6.692 1.00 71.22 O ATOM 785 CB GLU A 48 10.207 5.284 -5.902 1.00 14.33 C ATOM 786 CG GLU A 48 10.695 6.709 -5.708 1.00 10.32 C ATOM 787 CD GLU A 48 11.246 6.953 -4.316 1.00 55.42 C ATOM 788 OE1 GLU A 48 10.593 6.532 -3.338 1.00 25.52 O ATOM 789 OE2 GLU A 48 12.328 7.565 -4.205 1.00 44.13 O ATOM 0 H GLU A 48 11.139 6.108 -8.103 1.00 72.24 H new ATOM 0 HA GLU A 48 9.290 3.987 -7.349 1.00 71.23 H new ATOM 0 HB2 GLU A 48 9.498 5.041 -5.110 1.00 14.33 H new ATOM 0 HB3 GLU A 48 11.051 4.602 -5.795 1.00 14.33 H new ATOM 0 HG2 GLU A 48 11.468 6.928 -6.444 1.00 10.32 H new ATOM 0 HG3 GLU A 48 9.873 7.399 -5.895 1.00 10.32 H new ATOM 796 N SER A 49 8.276 6.891 -8.191 1.00 70.45 N ATOM 797 CA SER A 49 7.112 7.751 -8.375 1.00 33.11 C ATOM 798 C SER A 49 6.005 7.014 -9.123 1.00 45.35 C ATOM 799 O SER A 49 4.875 7.496 -9.215 1.00 74.02 O ATOM 800 CB SER A 49 7.503 9.019 -9.136 1.00 60.14 C ATOM 801 OG SER A 49 8.911 9.165 -9.193 1.00 1.42 O ATOM 0 H SER A 49 9.088 7.155 -8.750 1.00 70.45 H new ATOM 0 HA SER A 49 6.737 8.029 -7.390 1.00 33.11 H new ATOM 0 HB2 SER A 49 7.097 8.980 -10.147 1.00 60.14 H new ATOM 0 HB3 SER A 49 7.063 9.889 -8.649 1.00 60.14 H new ATOM 0 HG SER A 49 9.136 9.982 -9.686 1.00 1.42 H new ATOM 807 N LEU A 50 6.339 5.845 -9.659 1.00 54.31 N ATOM 808 CA LEU A 50 5.374 5.040 -10.400 1.00 41.53 C ATOM 809 C LEU A 50 4.580 4.139 -9.462 1.00 13.25 C ATOM 810 O LEU A 50 3.643 3.458 -9.881 1.00 1.12 O ATOM 811 CB LEU A 50 6.089 4.195 -11.455 1.00 21.20 C ATOM 812 CG LEU A 50 6.977 4.958 -12.440 1.00 31.31 C ATOM 813 CD1 LEU A 50 8.086 4.059 -12.966 1.00 55.44 C ATOM 814 CD2 LEU A 50 6.146 5.511 -13.588 1.00 33.11 C ATOM 0 H LEU A 50 7.270 5.434 -9.594 1.00 54.31 H new ATOM 0 HA LEU A 50 4.679 5.717 -10.896 1.00 41.53 H new ATOM 0 HB2 LEU A 50 6.703 3.454 -10.943 1.00 21.20 H new ATOM 0 HB3 LEU A 50 5.337 3.648 -12.024 1.00 21.20 H new ATOM 0 HG LEU A 50 7.436 5.795 -11.914 1.00 31.31 H new ATOM 0 HD11 LEU A 50 8.707 4.619 -13.665 1.00 55.44 H new ATOM 0 HD12 LEU A 50 8.698 3.712 -12.134 1.00 55.44 H new ATOM 0 HD13 LEU A 50 7.648 3.201 -13.476 1.00 55.44 H new ATOM 0 HD21 LEU A 50 6.794 6.051 -14.279 1.00 33.11 H new ATOM 0 HD22 LEU A 50 5.659 4.689 -14.114 1.00 33.11 H new ATOM 0 HD23 LEU A 50 5.389 6.190 -13.195 1.00 33.11 H new ATOM 826 N LEU A 51 4.959 4.140 -8.188 1.00 20.00 N ATOM 827 CA LEU A 51 4.281 3.323 -7.188 1.00 32.24 C ATOM 828 C LEU A 51 3.058 4.045 -6.632 1.00 44.22 C ATOM 829 O LEU A 51 2.266 3.465 -5.890 1.00 43.34 O ATOM 830 CB LEU A 51 5.242 2.974 -6.049 1.00 41.14 C ATOM 831 CG LEU A 51 5.955 1.627 -6.162 1.00 63.54 C ATOM 832 CD1 LEU A 51 6.937 1.444 -5.016 1.00 71.11 C ATOM 833 CD2 LEU A 51 4.946 0.489 -6.189 1.00 34.22 C ATOM 0 H LEU A 51 5.732 4.697 -7.824 1.00 20.00 H new ATOM 0 HA LEU A 51 3.949 2.404 -7.671 1.00 32.24 H new ATOM 0 HB2 LEU A 51 5.997 3.758 -5.984 1.00 41.14 H new ATOM 0 HB3 LEU A 51 4.685 2.990 -5.112 1.00 41.14 H new ATOM 0 HG LEU A 51 6.514 1.612 -7.098 1.00 63.54 H new ATOM 0 HD11 LEU A 51 7.435 0.479 -5.114 1.00 71.11 H new ATOM 0 HD12 LEU A 51 7.681 2.240 -5.043 1.00 71.11 H new ATOM 0 HD13 LEU A 51 6.401 1.481 -4.068 1.00 71.11 H new ATOM 0 HD21 LEU A 51 5.472 -0.462 -6.270 1.00 34.22 H new ATOM 0 HD22 LEU A 51 4.358 0.502 -5.271 1.00 34.22 H new ATOM 0 HD23 LEU A 51 4.283 0.611 -7.046 1.00 34.22 H new ATOM 845 N GLU A 52 2.910 5.315 -6.999 1.00 10.31 N ATOM 846 CA GLU A 52 1.782 6.116 -6.538 1.00 0.14 C ATOM 847 C GLU A 52 0.875 6.500 -7.703 1.00 11.03 C ATOM 848 O GLU A 52 0.135 7.481 -7.631 1.00 30.22 O ATOM 849 CB GLU A 52 2.280 7.377 -5.827 1.00 41.14 C ATOM 850 CG GLU A 52 2.842 8.426 -6.773 1.00 23.34 C ATOM 851 CD GLU A 52 3.381 9.640 -6.042 1.00 10.11 C ATOM 852 OE1 GLU A 52 3.191 9.726 -4.811 1.00 13.22 O ATOM 853 OE2 GLU A 52 3.993 10.506 -6.702 1.00 71.13 O ATOM 0 H GLU A 52 3.556 5.810 -7.613 1.00 10.31 H new ATOM 0 HA GLU A 52 1.206 5.515 -5.835 1.00 0.14 H new ATOM 0 HB2 GLU A 52 1.457 7.814 -5.261 1.00 41.14 H new ATOM 0 HB3 GLU A 52 3.050 7.098 -5.108 1.00 41.14 H new ATOM 0 HG2 GLU A 52 3.639 7.982 -7.370 1.00 23.34 H new ATOM 0 HG3 GLU A 52 2.062 8.740 -7.466 1.00 23.34 H new ATOM 860 N SER A 53 0.939 5.720 -8.777 1.00 1.14 N ATOM 861 CA SER A 53 0.128 5.979 -9.961 1.00 1.35 C ATOM 862 C SER A 53 -0.366 4.675 -10.577 1.00 34.42 C ATOM 863 O SER A 53 0.425 3.798 -10.922 1.00 20.41 O ATOM 864 CB SER A 53 0.932 6.772 -10.993 1.00 30.11 C ATOM 865 OG SER A 53 1.471 5.917 -11.985 1.00 75.55 O ATOM 0 H SER A 53 1.545 4.903 -8.852 1.00 1.14 H new ATOM 0 HA SER A 53 -0.738 6.567 -9.656 1.00 1.35 H new ATOM 0 HB2 SER A 53 0.292 7.519 -11.461 1.00 30.11 H new ATOM 0 HB3 SER A 53 1.738 7.310 -10.495 1.00 30.11 H new ATOM 0 HG SER A 53 1.547 5.008 -11.627 1.00 75.55 H new ATOM 871 N LYS A 54 -1.683 4.554 -10.713 1.00 70.31 N ATOM 872 CA LYS A 54 -2.286 3.358 -11.289 1.00 61.11 C ATOM 873 C LYS A 54 -1.793 3.132 -12.715 1.00 1.44 C ATOM 874 O LYS A 54 -1.385 2.027 -13.072 1.00 25.13 O ATOM 875 CB LYS A 54 -3.812 3.476 -11.279 1.00 31.52 C ATOM 876 CG LYS A 54 -4.515 2.329 -11.985 1.00 12.33 C ATOM 877 CD LYS A 54 -6.027 2.477 -11.919 1.00 25.42 C ATOM 878 CE LYS A 54 -6.490 3.768 -12.575 1.00 14.32 C ATOM 879 NZ LYS A 54 -6.011 3.879 -13.981 1.00 3.21 N ATOM 0 H LYS A 54 -2.353 5.270 -10.432 1.00 70.31 H new ATOM 0 HA LYS A 54 -1.989 2.503 -10.681 1.00 61.11 H new ATOM 0 HB2 LYS A 54 -4.158 3.523 -10.246 1.00 31.52 H new ATOM 0 HB3 LYS A 54 -4.099 4.414 -11.754 1.00 31.52 H new ATOM 0 HG2 LYS A 54 -4.197 2.292 -13.027 1.00 12.33 H new ATOM 0 HG3 LYS A 54 -4.221 1.384 -11.528 1.00 12.33 H new ATOM 0 HD2 LYS A 54 -6.499 1.627 -12.413 1.00 25.42 H new ATOM 0 HD3 LYS A 54 -6.350 2.460 -10.878 1.00 25.42 H new ATOM 0 HE2 LYS A 54 -7.579 3.814 -12.558 1.00 14.32 H new ATOM 0 HE3 LYS A 54 -6.126 4.619 -11.999 1.00 14.32 H new ATOM 0 HZ1 LYS A 54 -6.519 4.649 -14.461 1.00 3.21 H new ATOM 0 HZ2 LYS A 54 -4.991 4.082 -13.985 1.00 3.21 H new ATOM 0 HZ3 LYS A 54 -6.188 2.984 -14.480 1.00 3.21 H new ATOM 893 N GLU A 55 -1.832 4.186 -13.524 1.00 14.15 N ATOM 894 CA GLU A 55 -1.389 4.101 -14.910 1.00 44.22 C ATOM 895 C GLU A 55 0.085 3.715 -14.987 1.00 32.42 C ATOM 896 O GLU A 55 0.494 2.954 -15.863 1.00 34.52 O ATOM 897 CB GLU A 55 -1.614 5.436 -15.623 1.00 53.44 C ATOM 898 CG GLU A 55 -3.040 5.632 -16.111 1.00 35.21 C ATOM 899 CD GLU A 55 -3.124 5.811 -17.614 1.00 32.41 C ATOM 900 OE1 GLU A 55 -2.391 6.667 -18.151 1.00 42.42 O ATOM 901 OE2 GLU A 55 -3.922 5.094 -18.253 1.00 55.54 O ATOM 0 H GLU A 55 -2.166 5.108 -13.243 1.00 14.15 H new ATOM 0 HA GLU A 55 -1.976 3.328 -15.405 1.00 44.22 H new ATOM 0 HB2 GLU A 55 -1.356 6.249 -14.944 1.00 53.44 H new ATOM 0 HB3 GLU A 55 -0.935 5.503 -16.473 1.00 53.44 H new ATOM 0 HG2 GLU A 55 -3.642 4.772 -15.817 1.00 35.21 H new ATOM 0 HG3 GLU A 55 -3.471 6.505 -15.621 1.00 35.21 H new ATOM 908 N GLY A 56 0.880 4.245 -14.061 1.00 41.11 N ATOM 909 CA GLY A 56 2.300 3.945 -14.042 1.00 33.22 C ATOM 910 C GLY A 56 2.584 2.516 -13.622 1.00 13.42 C ATOM 911 O GLY A 56 3.320 1.799 -14.300 1.00 33.42 O ATOM 0 H GLY A 56 0.566 4.876 -13.324 1.00 41.11 H new ATOM 0 HA2 GLY A 56 2.719 4.119 -15.033 1.00 33.22 H new ATOM 0 HA3 GLY A 56 2.804 4.629 -13.359 1.00 33.22 H new ATOM 915 N CYS A 57 2.003 2.104 -12.501 1.00 52.43 N ATOM 916 CA CYS A 57 2.199 0.752 -11.989 1.00 63.04 C ATOM 917 C CYS A 57 1.866 -0.286 -13.056 1.00 24.41 C ATOM 918 O CYS A 57 2.474 -1.354 -13.106 1.00 35.53 O ATOM 919 CB CYS A 57 1.336 0.523 -10.749 1.00 70.53 C ATOM 920 SG CYS A 57 2.278 0.331 -9.218 1.00 21.14 S ATOM 0 H CYS A 57 1.392 2.687 -11.929 1.00 52.43 H new ATOM 0 HA CYS A 57 3.248 0.642 -11.716 1.00 63.04 H new ATOM 0 HB2 CYS A 57 0.649 1.362 -10.638 1.00 70.53 H new ATOM 0 HB3 CYS A 57 0.728 -0.368 -10.903 1.00 70.53 H new ATOM 0 HG CYS A 57 1.460 0.144 -8.225 1.00 21.14 H new ATOM 926 N GLN A 58 0.896 0.037 -13.906 1.00 21.42 N ATOM 927 CA GLN A 58 0.480 -0.870 -14.969 1.00 24.20 C ATOM 928 C GLN A 58 1.632 -1.143 -15.932 1.00 73.02 C ATOM 929 O GLN A 58 1.722 -2.223 -16.518 1.00 44.40 O ATOM 930 CB GLN A 58 -0.710 -0.285 -15.730 1.00 44.24 C ATOM 931 CG GLN A 58 -1.887 -1.240 -15.846 1.00 41.14 C ATOM 932 CD GLN A 58 -2.733 -0.977 -17.076 1.00 55.42 C ATOM 933 OE1 GLN A 58 -2.218 -0.614 -18.134 1.00 2.33 O ATOM 934 NE2 GLN A 58 -4.043 -1.157 -16.943 1.00 4.21 N ATOM 0 H GLN A 58 0.384 0.919 -13.879 1.00 21.42 H new ATOM 0 HA GLN A 58 0.181 -1.813 -14.512 1.00 24.20 H new ATOM 0 HB2 GLN A 58 -1.039 0.625 -15.229 1.00 44.24 H new ATOM 0 HB3 GLN A 58 -0.386 0.002 -16.730 1.00 44.24 H new ATOM 0 HG2 GLN A 58 -1.517 -2.265 -15.877 1.00 41.14 H new ATOM 0 HG3 GLN A 58 -2.510 -1.153 -14.956 1.00 41.14 H new ATOM 0 HE21 GLN A 58 -4.428 -1.459 -16.048 1.00 4.21 H new ATOM 0 HE22 GLN A 58 -4.663 -0.994 -17.736 1.00 4.21 H new ATOM 943 N LYS A 59 2.508 -0.158 -16.093 1.00 41.52 N ATOM 944 CA LYS A 59 3.653 -0.290 -16.985 1.00 64.20 C ATOM 945 C LYS A 59 4.742 -1.150 -16.348 1.00 42.34 C ATOM 946 O LYS A 59 5.544 -1.769 -17.047 1.00 73.32 O ATOM 947 CB LYS A 59 4.218 1.089 -17.333 1.00 75.32 C ATOM 948 CG LYS A 59 3.291 1.923 -18.202 1.00 12.44 C ATOM 949 CD LYS A 59 3.758 1.954 -19.646 1.00 73.45 C ATOM 950 CE LYS A 59 4.478 3.253 -19.972 1.00 43.21 C ATOM 951 NZ LYS A 59 5.857 3.279 -19.410 1.00 14.40 N ATOM 0 H LYS A 59 2.447 0.742 -15.617 1.00 41.52 H new ATOM 0 HA LYS A 59 3.315 -0.778 -17.899 1.00 64.20 H new ATOM 0 HB2 LYS A 59 4.424 1.632 -16.410 1.00 75.32 H new ATOM 0 HB3 LYS A 59 5.170 0.963 -17.848 1.00 75.32 H new ATOM 0 HG2 LYS A 59 2.281 1.515 -18.154 1.00 12.44 H new ATOM 0 HG3 LYS A 59 3.243 2.940 -17.812 1.00 12.44 H new ATOM 0 HD2 LYS A 59 4.424 1.111 -19.832 1.00 73.45 H new ATOM 0 HD3 LYS A 59 2.901 1.836 -20.309 1.00 73.45 H new ATOM 0 HE2 LYS A 59 4.524 3.381 -21.053 1.00 43.21 H new ATOM 0 HE3 LYS A 59 3.908 4.093 -19.575 1.00 43.21 H new ATOM 0 HZ1 LYS A 59 6.314 4.181 -19.654 1.00 14.40 H new ATOM 0 HZ2 LYS A 59 5.812 3.182 -18.375 1.00 14.40 H new ATOM 0 HZ3 LYS A 59 6.409 2.492 -19.808 1.00 14.40 H new ATOM 965 N ILE A 60 4.762 -1.183 -15.020 1.00 50.55 N ATOM 966 CA ILE A 60 5.750 -1.968 -14.291 1.00 2.21 C ATOM 967 C ILE A 60 5.378 -3.446 -14.280 1.00 72.24 C ATOM 968 O ILE A 60 6.249 -4.318 -14.264 1.00 41.42 O ATOM 969 CB ILE A 60 5.898 -1.477 -12.838 1.00 63.13 C ATOM 970 CG1 ILE A 60 6.081 0.041 -12.807 1.00 1.45 C ATOM 971 CG2 ILE A 60 7.070 -2.171 -12.162 1.00 64.02 C ATOM 972 CD1 ILE A 60 6.046 0.626 -11.411 1.00 75.41 C ATOM 0 H ILE A 60 4.105 -0.675 -14.427 1.00 50.55 H new ATOM 0 HA ILE A 60 6.700 -1.839 -14.809 1.00 2.21 H new ATOM 0 HB ILE A 60 4.989 -1.726 -12.291 1.00 63.13 H new ATOM 0 HG12 ILE A 60 7.033 0.294 -13.274 1.00 1.45 H new ATOM 0 HG13 ILE A 60 5.298 0.506 -13.407 1.00 1.45 H new ATOM 0 HG21 ILE A 60 7.162 -1.814 -11.136 1.00 64.02 H new ATOM 0 HG22 ILE A 60 6.902 -3.248 -12.158 1.00 64.02 H new ATOM 0 HG23 ILE A 60 7.988 -1.949 -12.707 1.00 64.02 H new ATOM 0 HD11 ILE A 60 6.182 1.706 -11.466 1.00 75.41 H new ATOM 0 HD12 ILE A 60 5.085 0.404 -10.948 1.00 75.41 H new ATOM 0 HD13 ILE A 60 6.846 0.189 -10.813 1.00 75.41 H new ATOM 984 N LEU A 61 4.078 -3.724 -14.291 1.00 5.04 N ATOM 985 CA LEU A 61 3.589 -5.098 -14.285 1.00 21.34 C ATOM 986 C LEU A 61 3.790 -5.754 -15.647 1.00 5.52 C ATOM 987 O LEU A 61 3.987 -6.966 -15.743 1.00 14.23 O ATOM 988 CB LEU A 61 2.109 -5.132 -13.903 1.00 35.02 C ATOM 989 CG LEU A 61 1.740 -4.448 -12.585 1.00 34.51 C ATOM 990 CD1 LEU A 61 0.340 -3.861 -12.663 1.00 11.20 C ATOM 991 CD2 LEU A 61 1.844 -5.431 -11.427 1.00 72.24 C ATOM 0 H LEU A 61 3.344 -3.016 -14.304 1.00 5.04 H new ATOM 0 HA LEU A 61 4.161 -5.658 -13.545 1.00 21.34 H new ATOM 0 HB2 LEU A 61 1.537 -4.665 -14.704 1.00 35.02 H new ATOM 0 HB3 LEU A 61 1.792 -6.173 -13.850 1.00 35.02 H new ATOM 0 HG LEU A 61 2.444 -3.635 -12.410 1.00 34.51 H new ATOM 0 HD11 LEU A 61 0.095 -3.379 -11.717 1.00 11.20 H new ATOM 0 HD12 LEU A 61 0.298 -3.126 -13.467 1.00 11.20 H new ATOM 0 HD13 LEU A 61 -0.378 -4.657 -12.861 1.00 11.20 H new ATOM 0 HD21 LEU A 61 1.578 -4.928 -10.497 1.00 72.24 H new ATOM 0 HD22 LEU A 61 1.163 -6.265 -11.596 1.00 72.24 H new ATOM 0 HD23 LEU A 61 2.866 -5.805 -11.358 1.00 72.24 H new ATOM 1003 N THR A 62 3.742 -4.945 -16.700 1.00 51.31 N ATOM 1004 CA THR A 62 3.919 -5.445 -18.058 1.00 44.41 C ATOM 1005 C THR A 62 5.388 -5.720 -18.354 1.00 62.04 C ATOM 1006 O THR A 62 5.717 -6.485 -19.262 1.00 12.12 O ATOM 1007 CB THR A 62 3.374 -4.450 -19.100 1.00 13.54 C ATOM 1008 OG1 THR A 62 2.938 -5.152 -20.268 1.00 33.41 O ATOM 1009 CG2 THR A 62 4.436 -3.430 -19.481 1.00 62.30 C ATOM 0 H THR A 62 3.582 -3.940 -16.639 1.00 51.31 H new ATOM 0 HA THR A 62 3.356 -6.376 -18.128 1.00 44.41 H new ATOM 0 HB THR A 62 2.528 -3.923 -18.658 1.00 13.54 H new ATOM 0 HG1 THR A 62 2.592 -4.512 -20.924 1.00 33.41 H new ATOM 0 HG21 THR A 62 4.028 -2.738 -20.218 1.00 62.30 H new ATOM 0 HG22 THR A 62 4.743 -2.876 -18.594 1.00 62.30 H new ATOM 0 HG23 THR A 62 5.299 -3.944 -19.905 1.00 62.30 H new ATOM 1017 N VAL A 63 6.271 -5.091 -17.585 1.00 11.44 N ATOM 1018 CA VAL A 63 7.707 -5.270 -17.764 1.00 15.23 C ATOM 1019 C VAL A 63 8.216 -6.465 -16.967 1.00 73.40 C ATOM 1020 O VAL A 63 9.158 -7.145 -17.379 1.00 3.54 O ATOM 1021 CB VAL A 63 8.487 -4.012 -17.337 1.00 15.03 C ATOM 1022 CG1 VAL A 63 9.983 -4.230 -17.500 1.00 63.33 C ATOM 1023 CG2 VAL A 63 8.024 -2.802 -18.134 1.00 23.01 C ATOM 0 H VAL A 63 6.017 -4.452 -16.831 1.00 11.44 H new ATOM 0 HA VAL A 63 7.873 -5.449 -18.826 1.00 15.23 H new ATOM 0 HB VAL A 63 8.286 -3.821 -16.283 1.00 15.03 H new ATOM 0 HG11 VAL A 63 10.517 -3.331 -17.194 1.00 63.33 H new ATOM 0 HG12 VAL A 63 10.298 -5.069 -16.879 1.00 63.33 H new ATOM 0 HG13 VAL A 63 10.207 -4.447 -18.544 1.00 63.33 H new ATOM 0 HG21 VAL A 63 8.586 -1.922 -17.819 1.00 23.01 H new ATOM 0 HG22 VAL A 63 8.193 -2.980 -19.196 1.00 23.01 H new ATOM 0 HG23 VAL A 63 6.961 -2.636 -17.959 1.00 23.01 H new ATOM 1033 N LEU A 64 7.587 -6.719 -15.825 1.00 73.43 N ATOM 1034 CA LEU A 64 7.975 -7.834 -14.969 1.00 22.45 C ATOM 1035 C LEU A 64 7.103 -9.057 -15.238 1.00 62.11 C ATOM 1036 O LEU A 64 7.442 -10.173 -14.844 1.00 63.23 O ATOM 1037 CB LEU A 64 7.871 -7.434 -13.496 1.00 52.11 C ATOM 1038 CG LEU A 64 8.659 -6.190 -13.082 1.00 74.13 C ATOM 1039 CD1 LEU A 64 7.911 -5.419 -12.005 1.00 23.00 C ATOM 1040 CD2 LEU A 64 10.048 -6.576 -12.596 1.00 62.43 C ATOM 0 H LEU A 64 6.806 -6.168 -15.470 1.00 73.43 H new ATOM 0 HA LEU A 64 9.010 -8.091 -15.197 1.00 22.45 H new ATOM 0 HB2 LEU A 64 6.820 -7.270 -13.258 1.00 52.11 H new ATOM 0 HB3 LEU A 64 8.209 -8.273 -12.887 1.00 52.11 H new ATOM 0 HG LEU A 64 8.767 -5.545 -13.954 1.00 74.13 H new ATOM 0 HD11 LEU A 64 8.486 -4.537 -11.723 1.00 23.00 H new ATOM 0 HD12 LEU A 64 6.938 -5.110 -12.388 1.00 23.00 H new ATOM 0 HD13 LEU A 64 7.772 -6.056 -11.132 1.00 23.00 H new ATOM 0 HD21 LEU A 64 10.594 -5.679 -12.306 1.00 62.43 H new ATOM 0 HD22 LEU A 64 9.961 -7.242 -11.737 1.00 62.43 H new ATOM 0 HD23 LEU A 64 10.585 -7.085 -13.396 1.00 62.43 H new ATOM 1052 N ASP A 65 5.980 -8.838 -15.912 1.00 74.03 N ATOM 1053 CA ASP A 65 5.060 -9.922 -16.238 1.00 35.15 C ATOM 1054 C ASP A 65 5.806 -11.101 -16.855 1.00 11.03 C ATOM 1055 O ASP A 65 5.834 -12.205 -16.310 1.00 10.13 O ATOM 1056 CB ASP A 65 3.976 -9.430 -17.197 1.00 12.34 C ATOM 1057 CG ASP A 65 2.603 -9.398 -16.553 1.00 2.25 C ATOM 1058 OD1 ASP A 65 2.312 -10.293 -15.733 1.00 23.44 O ATOM 1059 OD2 ASP A 65 1.822 -8.477 -16.868 1.00 20.14 O ATOM 0 H ASP A 65 5.684 -7.920 -16.244 1.00 74.03 H new ATOM 0 HA ASP A 65 4.590 -10.256 -15.313 1.00 35.15 H new ATOM 0 HB2 ASP A 65 4.232 -8.431 -17.548 1.00 12.34 H new ATOM 0 HB3 ASP A 65 3.948 -10.079 -18.073 1.00 12.34 H new ATOM 1064 N PRO A 66 6.425 -10.865 -18.022 1.00 13.24 N ATOM 1065 CA PRO A 66 7.181 -11.894 -18.739 1.00 22.11 C ATOM 1066 C PRO A 66 8.472 -12.273 -18.019 1.00 55.14 C ATOM 1067 O PRO A 66 9.154 -13.220 -18.407 1.00 72.51 O ATOM 1068 CB PRO A 66 7.494 -11.233 -20.083 1.00 54.24 C ATOM 1069 CG PRO A 66 7.470 -9.771 -19.801 1.00 15.44 C ATOM 1070 CD PRO A 66 6.433 -9.573 -18.729 1.00 31.24 C ATOM 0 HA PRO A 66 6.620 -12.825 -18.826 1.00 22.11 H new ATOM 0 HB2 PRO A 66 8.467 -11.547 -20.462 1.00 54.24 H new ATOM 0 HB3 PRO A 66 6.756 -11.503 -20.838 1.00 54.24 H new ATOM 0 HG2 PRO A 66 8.447 -9.422 -19.468 1.00 15.44 H new ATOM 0 HG3 PRO A 66 7.218 -9.205 -20.697 1.00 15.44 H new ATOM 0 HD2 PRO A 66 6.695 -8.751 -18.062 1.00 31.24 H new ATOM 0 HD3 PRO A 66 5.456 -9.340 -19.153 1.00 31.24 H new ATOM 1078 N MET A 67 8.799 -11.527 -16.969 1.00 62.13 N ATOM 1079 CA MET A 67 10.007 -11.786 -16.195 1.00 72.03 C ATOM 1080 C MET A 67 9.702 -12.675 -14.993 1.00 42.42 C ATOM 1081 O MET A 67 10.584 -13.357 -14.474 1.00 72.40 O ATOM 1082 CB MET A 67 10.630 -10.470 -15.726 1.00 41.41 C ATOM 1083 CG MET A 67 11.115 -9.587 -16.865 1.00 32.32 C ATOM 1084 SD MET A 67 12.184 -8.249 -16.300 1.00 35.00 S ATOM 1085 CE MET A 67 12.858 -7.674 -17.856 1.00 54.52 C ATOM 0 H MET A 67 8.245 -10.739 -16.635 1.00 62.13 H new ATOM 0 HA MET A 67 10.717 -12.306 -16.839 1.00 72.03 H new ATOM 0 HB2 MET A 67 9.896 -9.919 -15.138 1.00 41.41 H new ATOM 0 HB3 MET A 67 11.468 -10.690 -15.065 1.00 41.41 H new ATOM 0 HG2 MET A 67 11.655 -10.198 -17.588 1.00 32.32 H new ATOM 0 HG3 MET A 67 10.254 -9.165 -17.384 1.00 32.32 H new ATOM 0 HE1 MET A 67 13.541 -6.844 -17.672 1.00 54.52 H new ATOM 0 HE2 MET A 67 13.397 -8.487 -18.342 1.00 54.52 H new ATOM 0 HE3 MET A 67 12.047 -7.340 -18.503 1.00 54.52 H new ATOM 1095 N VAL A 68 8.447 -12.660 -14.556 1.00 2.42 N ATOM 1096 CA VAL A 68 8.025 -13.464 -13.415 1.00 72.31 C ATOM 1097 C VAL A 68 8.680 -14.841 -13.443 1.00 31.45 C ATOM 1098 O VAL A 68 9.373 -15.245 -12.508 1.00 52.10 O ATOM 1099 CB VAL A 68 6.495 -13.636 -13.385 1.00 22.35 C ATOM 1100 CG1 VAL A 68 6.117 -14.931 -12.681 1.00 72.01 C ATOM 1101 CG2 VAL A 68 5.838 -12.442 -12.710 1.00 23.32 C ATOM 0 H VAL A 68 7.705 -12.100 -14.975 1.00 2.42 H new ATOM 0 HA VAL A 68 8.341 -12.932 -12.518 1.00 72.31 H new ATOM 0 HB VAL A 68 6.133 -13.689 -14.412 1.00 22.35 H new ATOM 0 HG11 VAL A 68 5.032 -15.036 -12.669 1.00 72.01 H new ATOM 0 HG12 VAL A 68 6.557 -15.775 -13.211 1.00 72.01 H new ATOM 0 HG13 VAL A 68 6.491 -14.911 -11.657 1.00 72.01 H new ATOM 0 HG21 VAL A 68 4.757 -12.580 -12.698 1.00 23.32 H new ATOM 0 HG22 VAL A 68 6.204 -12.355 -11.687 1.00 23.32 H new ATOM 0 HG23 VAL A 68 6.081 -11.533 -13.261 1.00 23.32 H new ATOM 1111 N PRO A 69 8.457 -15.581 -14.538 1.00 52.05 N ATOM 1112 CA PRO A 69 9.018 -16.924 -14.715 1.00 55.35 C ATOM 1113 C PRO A 69 10.528 -16.899 -14.920 1.00 22.45 C ATOM 1114 O PRO A 69 11.242 -17.795 -14.467 1.00 13.24 O ATOM 1115 CB PRO A 69 8.316 -17.439 -15.974 1.00 43.32 C ATOM 1116 CG PRO A 69 7.941 -16.210 -16.728 1.00 43.50 C ATOM 1117 CD PRO A 69 7.641 -15.163 -15.691 1.00 62.15 C ATOM 0 HA PRO A 69 8.861 -17.550 -13.837 1.00 55.35 H new ATOM 0 HB2 PRO A 69 8.975 -18.078 -16.561 1.00 43.32 H new ATOM 0 HB3 PRO A 69 7.437 -18.033 -15.722 1.00 43.32 H new ATOM 0 HG2 PRO A 69 8.753 -15.890 -17.382 1.00 43.50 H new ATOM 0 HG3 PRO A 69 7.073 -16.391 -17.362 1.00 43.50 H new ATOM 0 HD2 PRO A 69 7.914 -14.166 -16.036 1.00 62.15 H new ATOM 0 HD3 PRO A 69 6.580 -15.135 -15.443 1.00 62.15 H new ATOM 1125 N THR A 70 11.012 -15.868 -15.605 1.00 13.50 N ATOM 1126 CA THR A 70 12.438 -15.727 -15.871 1.00 32.14 C ATOM 1127 C THR A 70 13.055 -14.645 -14.992 1.00 64.44 C ATOM 1128 O THR A 70 13.827 -13.812 -15.466 1.00 70.32 O ATOM 1129 CB THR A 70 12.703 -15.386 -17.349 1.00 31.00 C ATOM 1130 OG1 THR A 70 12.313 -14.035 -17.618 1.00 11.34 O ATOM 1131 CG2 THR A 70 11.943 -16.331 -18.267 1.00 62.53 C ATOM 0 H THR A 70 10.436 -15.117 -15.986 1.00 13.50 H new ATOM 0 HA THR A 70 12.900 -16.687 -15.640 1.00 32.14 H new ATOM 0 HB THR A 70 13.770 -15.500 -17.539 1.00 31.00 H new ATOM 0 HG1 THR A 70 12.933 -13.421 -17.173 1.00 11.34 H new ATOM 0 HG21 THR A 70 12.146 -16.071 -19.306 1.00 62.53 H new ATOM 0 HG22 THR A 70 12.264 -17.356 -18.081 1.00 62.53 H new ATOM 0 HG23 THR A 70 10.874 -16.245 -18.073 1.00 62.53 H new ATOM 1139 N GLY A 71 12.713 -14.664 -13.708 1.00 34.34 N ATOM 1140 CA GLY A 71 13.244 -13.680 -12.783 1.00 12.12 C ATOM 1141 C GLY A 71 13.543 -14.268 -11.419 1.00 13.53 C ATOM 1142 O GLY A 71 12.755 -15.051 -10.887 1.00 22.13 O ATOM 0 H GLY A 71 12.077 -15.344 -13.291 1.00 34.34 H new ATOM 0 HA2 GLY A 71 14.156 -13.251 -13.198 1.00 12.12 H new ATOM 0 HA3 GLY A 71 12.529 -12.865 -12.675 1.00 12.12 H new ATOM 1146 N SER A 72 14.683 -13.891 -10.849 1.00 42.33 N ATOM 1147 CA SER A 72 15.086 -14.390 -9.540 1.00 31.31 C ATOM 1148 C SER A 72 14.029 -14.068 -8.487 1.00 13.43 C ATOM 1149 O SER A 72 13.116 -13.280 -8.730 1.00 72.23 O ATOM 1150 CB SER A 72 16.430 -13.785 -9.132 1.00 4.04 C ATOM 1151 OG SER A 72 16.259 -12.493 -8.576 1.00 45.42 O ATOM 0 H SER A 72 15.344 -13.241 -11.274 1.00 42.33 H new ATOM 0 HA SER A 72 15.189 -15.473 -9.607 1.00 31.31 H new ATOM 0 HB2 SER A 72 16.920 -14.435 -8.407 1.00 4.04 H new ATOM 0 HB3 SER A 72 17.085 -13.727 -10.001 1.00 4.04 H new ATOM 0 HG SER A 72 17.132 -12.128 -8.322 1.00 45.42 H new ATOM 1157 N GLU A 73 14.162 -14.685 -7.317 1.00 11.01 N ATOM 1158 CA GLU A 73 13.219 -14.465 -6.227 1.00 13.00 C ATOM 1159 C GLU A 73 13.141 -12.985 -5.864 1.00 5.32 C ATOM 1160 O GLU A 73 12.113 -12.503 -5.392 1.00 72.34 O ATOM 1161 CB GLU A 73 13.625 -15.282 -4.999 1.00 75.11 C ATOM 1162 CG GLU A 73 13.357 -16.771 -5.142 1.00 62.14 C ATOM 1163 CD GLU A 73 12.636 -17.353 -3.943 1.00 71.02 C ATOM 1164 OE1 GLU A 73 12.809 -16.819 -2.829 1.00 1.33 O ATOM 1165 OE2 GLU A 73 11.896 -18.344 -4.120 1.00 31.33 O ATOM 0 H GLU A 73 14.913 -15.340 -7.100 1.00 11.01 H new ATOM 0 HA GLU A 73 12.234 -14.791 -6.562 1.00 13.00 H new ATOM 0 HB2 GLU A 73 14.687 -15.129 -4.807 1.00 75.11 H new ATOM 0 HB3 GLU A 73 13.086 -14.906 -4.129 1.00 75.11 H new ATOM 0 HG2 GLU A 73 12.761 -16.944 -6.038 1.00 62.14 H new ATOM 0 HG3 GLU A 73 14.303 -17.295 -5.281 1.00 62.14 H new ATOM 1172 N ASN A 74 14.239 -12.270 -6.088 1.00 2.31 N ATOM 1173 CA ASN A 74 14.298 -10.844 -5.784 1.00 14.14 C ATOM 1174 C ASN A 74 13.481 -10.039 -6.790 1.00 15.14 C ATOM 1175 O ASN A 74 13.123 -8.888 -6.537 1.00 24.32 O ATOM 1176 CB ASN A 74 15.749 -10.360 -5.784 1.00 73.42 C ATOM 1177 CG ASN A 74 16.494 -10.763 -4.526 1.00 34.43 C ATOM 1178 OD1 ASN A 74 17.459 -11.526 -4.579 1.00 41.23 O ATOM 1179 ND2 ASN A 74 16.046 -10.253 -3.385 1.00 3.33 N ATOM 0 H ASN A 74 15.099 -12.654 -6.479 1.00 2.31 H new ATOM 0 HA ASN A 74 13.872 -10.692 -4.792 1.00 14.14 H new ATOM 0 HB2 ASN A 74 16.265 -10.767 -6.654 1.00 73.42 H new ATOM 0 HB3 ASN A 74 15.767 -9.275 -5.881 1.00 73.42 H new ATOM 0 HD21 ASN A 74 16.505 -10.490 -2.505 1.00 3.33 H new ATOM 0 HD22 ASN A 74 15.243 -9.624 -3.388 1.00 3.33 H new ATOM 1186 N LEU A 75 13.188 -10.653 -7.931 1.00 3.41 N ATOM 1187 CA LEU A 75 12.413 -9.994 -8.977 1.00 2.45 C ATOM 1188 C LEU A 75 10.922 -10.256 -8.796 1.00 34.02 C ATOM 1189 O LEU A 75 10.113 -9.328 -8.792 1.00 72.12 O ATOM 1190 CB LEU A 75 12.864 -10.478 -10.356 1.00 72.41 C ATOM 1191 CG LEU A 75 12.069 -9.947 -11.548 1.00 54.45 C ATOM 1192 CD1 LEU A 75 12.959 -9.832 -12.775 1.00 53.14 C ATOM 1193 CD2 LEU A 75 10.874 -10.843 -11.834 1.00 74.44 C ATOM 0 H LEU A 75 13.475 -11.606 -8.156 1.00 3.41 H new ATOM 0 HA LEU A 75 12.587 -8.921 -8.902 1.00 2.45 H new ATOM 0 HB2 LEU A 75 13.910 -10.203 -10.491 1.00 72.41 H new ATOM 0 HB3 LEU A 75 12.817 -11.567 -10.370 1.00 72.41 H new ATOM 0 HG LEU A 75 11.699 -8.952 -11.299 1.00 54.45 H new ATOM 0 HD11 LEU A 75 12.375 -9.452 -13.614 1.00 53.14 H new ATOM 0 HD12 LEU A 75 13.781 -9.147 -12.565 1.00 53.14 H new ATOM 0 HD13 LEU A 75 13.360 -10.814 -13.027 1.00 53.14 H new ATOM 0 HD21 LEU A 75 10.320 -10.449 -12.686 1.00 74.44 H new ATOM 0 HD22 LEU A 75 11.221 -11.851 -12.061 1.00 74.44 H new ATOM 0 HD23 LEU A 75 10.223 -10.872 -10.960 1.00 74.44 H new ATOM 1205 N LYS A 76 10.564 -11.526 -8.644 1.00 33.34 N ATOM 1206 CA LYS A 76 9.170 -11.913 -8.459 1.00 2.15 C ATOM 1207 C LYS A 76 8.548 -11.157 -7.289 1.00 15.10 C ATOM 1208 O LYS A 76 7.371 -10.797 -7.327 1.00 11.34 O ATOM 1209 CB LYS A 76 9.065 -13.421 -8.219 1.00 21.01 C ATOM 1210 CG LYS A 76 7.644 -13.951 -8.303 1.00 22.41 C ATOM 1211 CD LYS A 76 7.565 -15.198 -9.168 1.00 32.11 C ATOM 1212 CE LYS A 76 8.444 -16.313 -8.622 1.00 1.30 C ATOM 1213 NZ LYS A 76 8.006 -16.753 -7.269 1.00 33.13 N ATOM 0 H LYS A 76 11.221 -12.306 -8.645 1.00 33.34 H new ATOM 0 HA LYS A 76 8.624 -11.657 -9.367 1.00 2.15 H new ATOM 0 HB2 LYS A 76 9.682 -13.941 -8.952 1.00 21.01 H new ATOM 0 HB3 LYS A 76 9.473 -13.654 -7.236 1.00 21.01 H new ATOM 0 HG2 LYS A 76 7.279 -14.178 -7.301 1.00 22.41 H new ATOM 0 HG3 LYS A 76 6.991 -13.181 -8.713 1.00 22.41 H new ATOM 0 HD2 LYS A 76 6.532 -15.541 -9.220 1.00 32.11 H new ATOM 0 HD3 LYS A 76 7.872 -14.956 -10.185 1.00 32.11 H new ATOM 0 HE2 LYS A 76 8.420 -17.162 -9.305 1.00 1.30 H new ATOM 0 HE3 LYS A 76 9.478 -15.971 -8.575 1.00 1.30 H new ATOM 0 HZ1 LYS A 76 8.529 -17.610 -6.996 1.00 33.13 H new ATOM 0 HZ2 LYS A 76 8.196 -15.998 -6.580 1.00 33.13 H new ATOM 0 HZ3 LYS A 76 6.987 -16.959 -7.284 1.00 33.13 H new ATOM 1227 N SER A 77 9.344 -10.919 -6.252 1.00 61.12 N ATOM 1228 CA SER A 77 8.870 -10.208 -5.071 1.00 25.42 C ATOM 1229 C SER A 77 8.311 -8.841 -5.448 1.00 13.31 C ATOM 1230 O SER A 77 7.215 -8.467 -5.027 1.00 54.01 O ATOM 1231 CB SER A 77 10.005 -10.046 -4.058 1.00 4.31 C ATOM 1232 OG SER A 77 9.951 -11.055 -3.064 1.00 52.25 O ATOM 0 H SER A 77 10.321 -11.208 -6.206 1.00 61.12 H new ATOM 0 HA SER A 77 8.071 -10.796 -4.620 1.00 25.42 H new ATOM 0 HB2 SER A 77 10.965 -10.090 -4.573 1.00 4.31 H new ATOM 0 HB3 SER A 77 9.940 -9.065 -3.588 1.00 4.31 H new ATOM 0 HG SER A 77 10.688 -10.930 -2.430 1.00 52.25 H new ATOM 1238 N LEU A 78 9.070 -8.097 -6.245 1.00 50.31 N ATOM 1239 CA LEU A 78 8.650 -6.770 -6.681 1.00 3.51 C ATOM 1240 C LEU A 78 7.371 -6.846 -7.508 1.00 3.41 C ATOM 1241 O LEU A 78 6.411 -6.119 -7.254 1.00 34.34 O ATOM 1242 CB LEU A 78 9.761 -6.105 -7.499 1.00 15.15 C ATOM 1243 CG LEU A 78 9.355 -4.871 -8.303 1.00 54.55 C ATOM 1244 CD1 LEU A 78 8.874 -3.764 -7.378 1.00 32.03 C ATOM 1245 CD2 LEU A 78 10.516 -4.387 -9.159 1.00 51.40 C ATOM 0 H LEU A 78 9.979 -8.390 -6.602 1.00 50.31 H new ATOM 0 HA LEU A 78 8.451 -6.170 -5.793 1.00 3.51 H new ATOM 0 HB2 LEU A 78 10.566 -5.823 -6.820 1.00 15.15 H new ATOM 0 HB3 LEU A 78 10.170 -6.844 -8.188 1.00 15.15 H new ATOM 0 HG LEU A 78 8.533 -5.146 -8.963 1.00 54.55 H new ATOM 0 HD11 LEU A 78 8.589 -2.894 -7.969 1.00 32.03 H new ATOM 0 HD12 LEU A 78 8.012 -4.114 -6.809 1.00 32.03 H new ATOM 0 HD13 LEU A 78 9.675 -3.490 -6.691 1.00 32.03 H new ATOM 0 HD21 LEU A 78 10.209 -3.507 -9.725 1.00 51.40 H new ATOM 0 HD22 LEU A 78 11.359 -4.130 -8.517 1.00 51.40 H new ATOM 0 HD23 LEU A 78 10.813 -5.177 -9.849 1.00 51.40 H new ATOM 1257 N PHE A 79 7.365 -7.732 -8.497 1.00 64.44 N ATOM 1258 CA PHE A 79 6.204 -7.906 -9.362 1.00 33.22 C ATOM 1259 C PHE A 79 4.936 -8.101 -8.536 1.00 13.00 C ATOM 1260 O PHE A 79 3.945 -7.396 -8.723 1.00 41.41 O ATOM 1261 CB PHE A 79 6.408 -9.102 -10.294 1.00 13.03 C ATOM 1262 CG PHE A 79 5.146 -9.560 -10.967 1.00 71.34 C ATOM 1263 CD1 PHE A 79 4.660 -8.896 -12.082 1.00 34.04 C ATOM 1264 CD2 PHE A 79 4.446 -10.655 -10.485 1.00 40.24 C ATOM 1265 CE1 PHE A 79 3.499 -9.315 -12.705 1.00 34.24 C ATOM 1266 CE2 PHE A 79 3.284 -11.078 -11.104 1.00 63.44 C ATOM 1267 CZ PHE A 79 2.810 -10.407 -12.214 1.00 3.13 C ATOM 0 H PHE A 79 8.152 -8.342 -8.720 1.00 64.44 H new ATOM 0 HA PHE A 79 6.091 -7.003 -9.962 1.00 33.22 H new ATOM 0 HB2 PHE A 79 7.141 -8.838 -11.056 1.00 13.03 H new ATOM 0 HB3 PHE A 79 6.827 -9.930 -9.723 1.00 13.03 H new ATOM 0 HD1 PHE A 79 5.194 -8.041 -12.469 1.00 34.04 H new ATOM 0 HD2 PHE A 79 4.812 -11.183 -9.617 1.00 40.24 H new ATOM 0 HE1 PHE A 79 3.131 -8.789 -13.574 1.00 34.24 H new ATOM 0 HE2 PHE A 79 2.747 -11.933 -10.719 1.00 63.44 H new ATOM 0 HZ PHE A 79 1.902 -10.736 -12.698 1.00 3.13 H new ATOM 1277 N ASN A 80 4.974 -9.066 -7.622 1.00 42.00 N ATOM 1278 CA ASN A 80 3.829 -9.356 -6.767 1.00 50.10 C ATOM 1279 C ASN A 80 3.339 -8.092 -6.067 1.00 42.11 C ATOM 1280 O ASN A 80 2.141 -7.809 -6.037 1.00 32.11 O ATOM 1281 CB ASN A 80 4.197 -10.418 -5.729 1.00 40.41 C ATOM 1282 CG ASN A 80 3.772 -11.810 -6.152 1.00 71.52 C ATOM 1283 OD1 ASN A 80 2.655 -12.014 -6.627 1.00 54.50 O ATOM 1284 ND2 ASN A 80 4.664 -12.779 -5.980 1.00 40.22 N ATOM 0 H ASN A 80 5.786 -9.660 -7.455 1.00 42.00 H new ATOM 0 HA ASN A 80 3.024 -9.737 -7.396 1.00 50.10 H new ATOM 0 HB2 ASN A 80 5.274 -10.404 -5.565 1.00 40.41 H new ATOM 0 HB3 ASN A 80 3.726 -10.171 -4.777 1.00 40.41 H new ATOM 0 HD21 ASN A 80 4.434 -13.737 -6.245 1.00 40.22 H new ATOM 0 HD22 ASN A 80 5.579 -12.565 -5.583 1.00 40.22 H new ATOM 1291 N THR A 81 4.275 -7.333 -5.504 1.00 73.05 N ATOM 1292 CA THR A 81 3.939 -6.100 -4.804 1.00 5.53 C ATOM 1293 C THR A 81 3.266 -5.102 -5.739 1.00 31.20 C ATOM 1294 O THR A 81 2.230 -4.525 -5.405 1.00 72.44 O ATOM 1295 CB THR A 81 5.191 -5.446 -4.188 1.00 50.54 C ATOM 1296 OG1 THR A 81 5.938 -6.417 -3.447 1.00 50.22 O ATOM 1297 CG2 THR A 81 4.804 -4.291 -3.275 1.00 33.20 C ATOM 0 H THR A 81 5.271 -7.551 -5.520 1.00 73.05 H new ATOM 0 HA THR A 81 3.247 -6.368 -4.006 1.00 5.53 H new ATOM 0 HB THR A 81 5.807 -5.057 -4.999 1.00 50.54 H new ATOM 0 HG1 THR A 81 6.434 -6.991 -4.067 1.00 50.22 H new ATOM 0 HG21 THR A 81 5.704 -3.845 -2.852 1.00 33.20 H new ATOM 0 HG22 THR A 81 4.262 -3.540 -3.849 1.00 33.20 H new ATOM 0 HG23 THR A 81 4.169 -4.661 -2.470 1.00 33.20 H new ATOM 1305 N VAL A 82 3.860 -4.902 -6.911 1.00 34.32 N ATOM 1306 CA VAL A 82 3.315 -3.975 -7.896 1.00 13.34 C ATOM 1307 C VAL A 82 1.841 -4.258 -8.161 1.00 71.22 C ATOM 1308 O VAL A 82 1.049 -3.338 -8.372 1.00 22.12 O ATOM 1309 CB VAL A 82 4.089 -4.050 -9.225 1.00 71.34 C ATOM 1310 CG1 VAL A 82 3.597 -2.983 -10.191 1.00 40.50 C ATOM 1311 CG2 VAL A 82 5.583 -3.911 -8.980 1.00 63.32 C ATOM 0 H VAL A 82 4.719 -5.369 -7.202 1.00 34.32 H new ATOM 0 HA VAL A 82 3.419 -2.973 -7.480 1.00 13.34 H new ATOM 0 HB VAL A 82 3.908 -5.026 -9.676 1.00 71.34 H new ATOM 0 HG11 VAL A 82 4.156 -3.052 -11.124 1.00 40.50 H new ATOM 0 HG12 VAL A 82 2.536 -3.135 -10.391 1.00 40.50 H new ATOM 0 HG13 VAL A 82 3.746 -1.997 -9.751 1.00 40.50 H new ATOM 0 HG21 VAL A 82 6.114 -3.966 -9.930 1.00 63.32 H new ATOM 0 HG22 VAL A 82 5.786 -2.951 -8.506 1.00 63.32 H new ATOM 0 HG23 VAL A 82 5.921 -4.716 -8.328 1.00 63.32 H new ATOM 1321 N CYS A 83 1.478 -5.536 -8.149 1.00 52.31 N ATOM 1322 CA CYS A 83 0.098 -5.941 -8.389 1.00 31.42 C ATOM 1323 C CYS A 83 -0.826 -5.394 -7.306 1.00 25.02 C ATOM 1324 O CYS A 83 -1.930 -4.931 -7.592 1.00 44.11 O ATOM 1325 CB CYS A 83 -0.007 -7.466 -8.441 1.00 63.44 C ATOM 1326 SG CYS A 83 1.112 -8.242 -9.632 1.00 3.41 S ATOM 0 H CYS A 83 2.120 -6.309 -7.976 1.00 52.31 H new ATOM 0 HA CYS A 83 -0.213 -5.529 -9.349 1.00 31.42 H new ATOM 0 HB2 CYS A 83 0.200 -7.868 -7.449 1.00 63.44 H new ATOM 0 HB3 CYS A 83 -1.032 -7.741 -8.689 1.00 63.44 H new ATOM 0 HG CYS A 83 2.339 -7.923 -9.346 1.00 3.41 H new ATOM 1332 N VAL A 84 -0.368 -5.452 -6.059 1.00 64.02 N ATOM 1333 CA VAL A 84 -1.152 -4.962 -4.932 1.00 14.20 C ATOM 1334 C VAL A 84 -1.271 -3.442 -4.964 1.00 71.53 C ATOM 1335 O VAL A 84 -2.375 -2.897 -4.975 1.00 52.30 O ATOM 1336 CB VAL A 84 -0.532 -5.389 -3.589 1.00 1.34 C ATOM 1337 CG1 VAL A 84 -1.292 -4.767 -2.428 1.00 14.42 C ATOM 1338 CG2 VAL A 84 -0.510 -6.905 -3.471 1.00 23.43 C ATOM 0 H VAL A 84 0.543 -5.834 -5.804 1.00 64.02 H new ATOM 0 HA VAL A 84 -2.145 -5.403 -5.022 1.00 14.20 H new ATOM 0 HB VAL A 84 0.496 -5.029 -3.553 1.00 1.34 H new ATOM 0 HG11 VAL A 84 -0.839 -5.080 -1.487 1.00 14.42 H new ATOM 0 HG12 VAL A 84 -1.251 -3.681 -2.507 1.00 14.42 H new ATOM 0 HG13 VAL A 84 -2.331 -5.094 -2.457 1.00 14.42 H new ATOM 0 HG21 VAL A 84 -0.069 -7.189 -2.516 1.00 23.43 H new ATOM 0 HG22 VAL A 84 -1.528 -7.289 -3.529 1.00 23.43 H new ATOM 0 HG23 VAL A 84 0.083 -7.325 -4.284 1.00 23.43 H new ATOM 1348 N ILE A 85 -0.128 -2.765 -4.981 1.00 20.15 N ATOM 1349 CA ILE A 85 -0.105 -1.308 -5.013 1.00 71.40 C ATOM 1350 C ILE A 85 -1.059 -0.767 -6.072 1.00 54.31 C ATOM 1351 O ILE A 85 -1.774 0.208 -5.837 1.00 71.23 O ATOM 1352 CB ILE A 85 1.312 -0.774 -5.294 1.00 45.35 C ATOM 1353 CG1 ILE A 85 2.285 -1.255 -4.216 1.00 30.42 C ATOM 1354 CG2 ILE A 85 1.301 0.746 -5.366 1.00 25.24 C ATOM 1355 CD1 ILE A 85 2.121 -0.542 -2.892 1.00 32.22 C ATOM 0 H ILE A 85 0.794 -3.202 -4.973 1.00 20.15 H new ATOM 0 HA ILE A 85 -0.425 -0.965 -4.029 1.00 71.40 H new ATOM 0 HB ILE A 85 1.646 -1.161 -6.257 1.00 45.35 H new ATOM 0 HG12 ILE A 85 2.145 -2.325 -4.063 1.00 30.42 H new ATOM 0 HG13 ILE A 85 3.306 -1.115 -4.571 1.00 30.42 H new ATOM 0 HG21 ILE A 85 2.310 1.108 -5.565 1.00 25.24 H new ATOM 0 HG22 ILE A 85 0.635 1.068 -6.167 1.00 25.24 H new ATOM 0 HG23 ILE A 85 0.950 1.153 -4.417 1.00 25.24 H new ATOM 0 HD11 ILE A 85 2.843 -0.934 -2.176 1.00 32.22 H new ATOM 0 HD12 ILE A 85 2.290 0.526 -3.030 1.00 32.22 H new ATOM 0 HD13 ILE A 85 1.111 -0.703 -2.515 1.00 32.22 H new ATOM 1367 N TRP A 86 -1.067 -1.405 -7.235 1.00 64.33 N ATOM 1368 CA TRP A 86 -1.935 -0.988 -8.331 1.00 31.42 C ATOM 1369 C TRP A 86 -3.404 -1.144 -7.950 1.00 45.13 C ATOM 1370 O TRP A 86 -4.194 -0.211 -8.099 1.00 12.11 O ATOM 1371 CB TRP A 86 -1.633 -1.806 -9.588 1.00 24.10 C ATOM 1372 CG TRP A 86 -2.406 -1.353 -10.790 1.00 60.42 C ATOM 1373 CD1 TRP A 86 -1.981 -0.494 -11.762 1.00 44.45 C ATOM 1374 CD2 TRP A 86 -3.738 -1.738 -11.146 1.00 40.52 C ATOM 1375 NE1 TRP A 86 -2.969 -0.320 -12.701 1.00 21.13 N ATOM 1376 CE2 TRP A 86 -4.057 -1.073 -12.346 1.00 45.03 C ATOM 1377 CE3 TRP A 86 -4.692 -2.580 -10.569 1.00 11.03 C ATOM 1378 CZ2 TRP A 86 -5.289 -1.225 -12.976 1.00 51.00 C ATOM 1379 CZ3 TRP A 86 -5.915 -2.730 -11.196 1.00 12.34 C ATOM 1380 CH2 TRP A 86 -6.204 -2.055 -12.390 1.00 32.11 C ATOM 0 H TRP A 86 -0.482 -2.214 -7.445 1.00 64.33 H new ATOM 0 HA TRP A 86 -1.740 0.065 -8.536 1.00 31.42 H new ATOM 0 HB2 TRP A 86 -0.567 -1.744 -9.806 1.00 24.10 H new ATOM 0 HB3 TRP A 86 -1.858 -2.855 -9.394 1.00 24.10 H new ATOM 0 HD1 TRP A 86 -1.011 -0.021 -11.789 1.00 44.45 H new ATOM 0 HE1 TRP A 86 -2.903 0.273 -13.528 1.00 21.13 H new ATOM 0 HE3 TRP A 86 -4.478 -3.104 -9.649 1.00 11.03 H new ATOM 0 HZ2 TRP A 86 -5.514 -0.705 -13.896 1.00 51.00 H new ATOM 0 HZ3 TRP A 86 -6.660 -3.378 -10.759 1.00 12.34 H new ATOM 0 HH2 TRP A 86 -7.168 -2.193 -12.856 1.00 32.11 H new ATOM 1391 N CYS A 87 -3.761 -2.325 -7.460 1.00 15.15 N ATOM 1392 CA CYS A 87 -5.136 -2.601 -7.058 1.00 15.03 C ATOM 1393 C CYS A 87 -5.660 -1.512 -6.127 1.00 1.12 C ATOM 1394 O CYS A 87 -6.762 -0.996 -6.319 1.00 22.02 O ATOM 1395 CB CYS A 87 -5.224 -3.963 -6.368 1.00 2.12 C ATOM 1396 SG CYS A 87 -5.427 -5.355 -7.504 1.00 23.21 S ATOM 0 H CYS A 87 -3.119 -3.107 -7.331 1.00 15.15 H new ATOM 0 HA CYS A 87 -5.754 -2.615 -7.956 1.00 15.03 H new ATOM 0 HB2 CYS A 87 -4.321 -4.118 -5.778 1.00 2.12 H new ATOM 0 HB3 CYS A 87 -6.062 -3.952 -5.671 1.00 2.12 H new ATOM 0 HG CYS A 87 -5.905 -6.377 -6.857 1.00 23.21 H new ATOM 1402 N ILE A 88 -4.866 -1.168 -5.119 1.00 64.33 N ATOM 1403 CA ILE A 88 -5.250 -0.142 -4.160 1.00 2.23 C ATOM 1404 C ILE A 88 -5.640 1.152 -4.866 1.00 11.35 C ATOM 1405 O ILE A 88 -6.542 1.865 -4.424 1.00 42.33 O ATOM 1406 CB ILE A 88 -4.112 0.154 -3.165 1.00 30.14 C ATOM 1407 CG1 ILE A 88 -3.705 -1.124 -2.428 1.00 10.32 C ATOM 1408 CG2 ILE A 88 -4.537 1.228 -2.177 1.00 13.53 C ATOM 1409 CD1 ILE A 88 -2.335 -1.044 -1.790 1.00 54.11 C ATOM 0 H ILE A 88 -3.952 -1.586 -4.946 1.00 64.33 H new ATOM 0 HA ILE A 88 -6.109 -0.529 -3.612 1.00 2.23 H new ATOM 0 HB ILE A 88 -3.250 0.521 -3.721 1.00 30.14 H new ATOM 0 HG12 ILE A 88 -4.444 -1.340 -1.656 1.00 10.32 H new ATOM 0 HG13 ILE A 88 -3.722 -1.959 -3.129 1.00 10.32 H new ATOM 0 HG21 ILE A 88 -3.722 1.425 -1.481 1.00 13.53 H new ATOM 0 HG22 ILE A 88 -4.783 2.142 -2.717 1.00 13.53 H new ATOM 0 HG23 ILE A 88 -5.412 0.887 -1.623 1.00 13.53 H new ATOM 0 HD11 ILE A 88 -2.113 -1.984 -1.286 1.00 54.11 H new ATOM 0 HD12 ILE A 88 -1.585 -0.859 -2.560 1.00 54.11 H new ATOM 0 HD13 ILE A 88 -2.318 -0.231 -1.065 1.00 54.11 H new ATOM 1421 N HIS A 89 -4.957 1.449 -5.967 1.00 10.22 N ATOM 1422 CA HIS A 89 -5.234 2.657 -6.738 1.00 23.53 C ATOM 1423 C HIS A 89 -6.468 2.469 -7.615 1.00 34.43 C ATOM 1424 O HIS A 89 -7.227 3.429 -7.736 1.00 14.55 O ATOM 1425 CB HIS A 89 -4.029 3.021 -7.606 1.00 3.34 C ATOM 1426 CG HIS A 89 -2.844 3.490 -6.818 1.00 1.21 C ATOM 1427 ND1 HIS A 89 -2.921 4.474 -5.856 1.00 32.33 N ATOM 1428 CD2 HIS A 89 -1.547 3.103 -6.854 1.00 13.42 C ATOM 1429 CE1 HIS A 89 -1.724 4.673 -5.335 1.00 30.24 C ATOM 1430 NE2 HIS A 89 -0.872 3.852 -5.923 1.00 10.23 N ATOM 0 H HIS A 89 -4.208 0.870 -6.346 1.00 10.22 H new ATOM 0 HA HIS A 89 -5.427 3.470 -6.038 1.00 23.53 H new ATOM 0 HB2 HIS A 89 -3.741 2.152 -8.197 1.00 3.34 H new ATOM 0 HB3 HIS A 89 -4.320 3.802 -8.309 1.00 3.34 H new ATOM 0 HD2 HIS A 89 -1.122 2.346 -7.496 1.00 13.42 H new ATOM 0 HE1 HIS A 89 -1.483 5.386 -4.560 1.00 30.24 H new ATOM 0 HE2 HIS A 89 0.125 3.786 -5.718 1.00 10.23 H new ATOM 1438 N ALA A 90 -6.681 1.299 -8.209 1.00 74.22 N ATOM 1439 CA ALA A 90 -7.847 1.073 -9.054 1.00 61.20 C ATOM 1440 C ALA A 90 -9.071 0.721 -8.218 1.00 14.13 C ATOM 1441 O ALA A 90 -10.107 0.324 -8.752 1.00 63.03 O ATOM 1442 CB ALA A 90 -7.561 -0.029 -10.064 1.00 23.14 C ATOM 0 H ALA A 90 -6.061 0.494 -8.121 1.00 74.22 H new ATOM 0 HA ALA A 90 -8.060 1.997 -9.591 1.00 61.20 H new ATOM 0 HB1 ALA A 90 -8.440 -0.187 -10.688 1.00 23.14 H new ATOM 0 HB2 ALA A 90 -6.718 0.262 -10.691 1.00 23.14 H new ATOM 0 HB3 ALA A 90 -7.319 -0.952 -9.537 1.00 23.14 H new ATOM 1448 N GLU A 91 -8.946 0.868 -6.902 1.00 51.22 N ATOM 1449 CA GLU A 91 -10.044 0.564 -5.992 1.00 71.41 C ATOM 1450 C GLU A 91 -10.310 -0.937 -5.942 1.00 62.54 C ATOM 1451 O GLU A 91 -11.312 -1.383 -5.385 1.00 51.02 O ATOM 1452 CB GLU A 91 -11.313 1.304 -6.421 1.00 62.44 C ATOM 1453 CG GLU A 91 -12.152 1.800 -5.257 1.00 71.30 C ATOM 1454 CD GLU A 91 -13.570 1.262 -5.288 1.00 23.42 C ATOM 1455 OE1 GLU A 91 -13.774 0.103 -4.871 1.00 52.31 O ATOM 1456 OE2 GLU A 91 -14.474 2.001 -5.730 1.00 14.02 O ATOM 0 H GLU A 91 -8.096 1.195 -6.443 1.00 51.22 H new ATOM 0 HA GLU A 91 -9.757 0.898 -4.995 1.00 71.41 H new ATOM 0 HB2 GLU A 91 -11.035 2.153 -7.045 1.00 62.44 H new ATOM 0 HB3 GLU A 91 -11.919 0.641 -7.038 1.00 62.44 H new ATOM 0 HG2 GLU A 91 -11.677 1.507 -4.321 1.00 71.30 H new ATOM 0 HG3 GLU A 91 -12.180 2.890 -5.273 1.00 71.30 H new ATOM 1463 N GLU A 92 -9.403 -1.713 -6.530 1.00 53.22 N ATOM 1464 CA GLU A 92 -9.541 -3.165 -6.555 1.00 43.20 C ATOM 1465 C GLU A 92 -9.285 -3.759 -5.172 1.00 12.41 C ATOM 1466 O GLU A 92 -8.222 -3.556 -4.584 1.00 74.11 O ATOM 1467 CB GLU A 92 -8.572 -3.773 -7.571 1.00 25.33 C ATOM 1468 CG GLU A 92 -9.058 -3.679 -9.007 1.00 62.35 C ATOM 1469 CD GLU A 92 -10.198 -4.635 -9.301 1.00 11.22 C ATOM 1470 OE1 GLU A 92 -10.823 -5.127 -8.339 1.00 70.21 O ATOM 1471 OE2 GLU A 92 -10.465 -4.889 -10.494 1.00 63.10 O ATOM 0 H GLU A 92 -8.566 -1.360 -6.995 1.00 53.22 H new ATOM 0 HA GLU A 92 -10.563 -3.403 -6.850 1.00 43.20 H new ATOM 0 HB2 GLU A 92 -7.609 -3.269 -7.489 1.00 25.33 H new ATOM 0 HB3 GLU A 92 -8.406 -4.821 -7.320 1.00 25.33 H new ATOM 0 HG2 GLU A 92 -9.383 -2.659 -9.211 1.00 62.35 H new ATOM 0 HG3 GLU A 92 -8.229 -3.890 -9.682 1.00 62.35 H new ATOM 1478 N LYS A 93 -10.267 -4.491 -4.659 1.00 63.03 N ATOM 1479 CA LYS A 93 -10.151 -5.116 -3.347 1.00 43.23 C ATOM 1480 C LYS A 93 -9.762 -6.586 -3.476 1.00 43.41 C ATOM 1481 O LYS A 93 -10.372 -7.334 -4.239 1.00 72.11 O ATOM 1482 CB LYS A 93 -11.471 -4.993 -2.582 1.00 3.31 C ATOM 1483 CG LYS A 93 -11.478 -3.870 -1.558 1.00 23.33 C ATOM 1484 CD LYS A 93 -12.893 -3.490 -1.158 1.00 3.53 C ATOM 1485 CE LYS A 93 -13.290 -2.139 -1.734 1.00 51.30 C ATOM 1486 NZ LYS A 93 -14.716 -2.116 -2.161 1.00 54.11 N ATOM 0 H LYS A 93 -11.153 -4.666 -5.132 1.00 63.03 H new ATOM 0 HA LYS A 93 -9.367 -4.598 -2.794 1.00 43.23 H new ATOM 0 HB2 LYS A 93 -12.280 -4.829 -3.294 1.00 3.31 H new ATOM 0 HB3 LYS A 93 -11.677 -5.936 -2.076 1.00 3.31 H new ATOM 0 HG2 LYS A 93 -10.919 -4.179 -0.674 1.00 23.33 H new ATOM 0 HG3 LYS A 93 -10.968 -2.998 -1.969 1.00 23.33 H new ATOM 0 HD2 LYS A 93 -13.588 -4.254 -1.506 1.00 3.53 H new ATOM 0 HD3 LYS A 93 -12.970 -3.460 -0.071 1.00 3.53 H new ATOM 0 HE2 LYS A 93 -13.122 -1.362 -0.988 1.00 51.30 H new ATOM 0 HE3 LYS A 93 -12.652 -1.906 -2.586 1.00 51.30 H new ATOM 0 HZ1 LYS A 93 -14.948 -1.179 -2.548 1.00 54.11 H new ATOM 0 HZ2 LYS A 93 -14.871 -2.840 -2.891 1.00 54.11 H new ATOM 0 HZ3 LYS A 93 -15.327 -2.313 -1.343 1.00 54.11 H new ATOM 1500 N VAL A 94 -8.743 -6.992 -2.725 1.00 41.41 N ATOM 1501 CA VAL A 94 -8.274 -8.372 -2.755 1.00 23.03 C ATOM 1502 C VAL A 94 -7.889 -8.851 -1.359 1.00 44.25 C ATOM 1503 O VAL A 94 -7.587 -8.047 -0.476 1.00 0.11 O ATOM 1504 CB VAL A 94 -7.064 -8.534 -3.694 1.00 54.01 C ATOM 1505 CG1 VAL A 94 -7.506 -8.477 -5.148 1.00 44.23 C ATOM 1506 CG2 VAL A 94 -6.018 -7.468 -3.403 1.00 21.44 C ATOM 0 H VAL A 94 -8.227 -6.385 -2.089 1.00 41.41 H new ATOM 0 HA VAL A 94 -9.098 -8.979 -3.130 1.00 23.03 H new ATOM 0 HB VAL A 94 -6.614 -9.510 -3.514 1.00 54.01 H new ATOM 0 HG11 VAL A 94 -6.638 -8.593 -5.797 1.00 44.23 H new ATOM 0 HG12 VAL A 94 -8.216 -9.280 -5.344 1.00 44.23 H new ATOM 0 HG13 VAL A 94 -7.981 -7.516 -5.346 1.00 44.23 H new ATOM 0 HG21 VAL A 94 -5.170 -7.597 -4.075 1.00 21.44 H new ATOM 0 HG22 VAL A 94 -6.453 -6.480 -3.554 1.00 21.44 H new ATOM 0 HG23 VAL A 94 -5.680 -7.562 -2.371 1.00 21.44 H new ATOM 1516 N LYS A 95 -7.900 -10.165 -1.167 1.00 65.44 N ATOM 1517 CA LYS A 95 -7.549 -10.753 0.120 1.00 73.41 C ATOM 1518 C LYS A 95 -6.061 -11.083 0.181 1.00 24.10 C ATOM 1519 O LYS A 95 -5.403 -10.841 1.192 1.00 32.35 O ATOM 1520 CB LYS A 95 -8.372 -12.019 0.367 1.00 74.13 C ATOM 1521 CG LYS A 95 -8.310 -12.517 1.801 1.00 40.33 C ATOM 1522 CD LYS A 95 -7.486 -13.788 1.914 1.00 74.23 C ATOM 1523 CE LYS A 95 -8.364 -15.029 1.843 1.00 11.00 C ATOM 1524 NZ LYS A 95 -8.960 -15.210 0.490 1.00 63.21 N ATOM 0 H LYS A 95 -8.148 -10.844 -1.887 1.00 65.44 H new ATOM 0 HA LYS A 95 -7.774 -10.023 0.897 1.00 73.41 H new ATOM 0 HB2 LYS A 95 -9.412 -11.823 0.104 1.00 74.13 H new ATOM 0 HB3 LYS A 95 -8.018 -12.807 -0.298 1.00 74.13 H new ATOM 0 HG2 LYS A 95 -7.878 -11.744 2.437 1.00 40.33 H new ATOM 0 HG3 LYS A 95 -9.320 -12.703 2.167 1.00 40.33 H new ATOM 0 HD2 LYS A 95 -6.748 -13.817 1.113 1.00 74.23 H new ATOM 0 HD3 LYS A 95 -6.935 -13.784 2.855 1.00 74.23 H new ATOM 0 HE2 LYS A 95 -7.772 -15.908 2.100 1.00 11.00 H new ATOM 0 HE3 LYS A 95 -9.160 -14.953 2.584 1.00 11.00 H new ATOM 0 HZ1 LYS A 95 -9.482 -16.109 0.458 1.00 63.21 H new ATOM 0 HZ2 LYS A 95 -9.612 -14.424 0.290 1.00 63.21 H new ATOM 0 HZ3 LYS A 95 -8.204 -15.223 -0.224 1.00 63.21 H new ATOM 1538 N ASP A 96 -5.536 -11.634 -0.908 1.00 52.41 N ATOM 1539 CA ASP A 96 -4.125 -11.994 -0.980 1.00 54.21 C ATOM 1540 C ASP A 96 -3.476 -11.402 -2.227 1.00 22.14 C ATOM 1541 O ASP A 96 -4.105 -10.649 -2.970 1.00 44.40 O ATOM 1542 CB ASP A 96 -3.964 -13.515 -0.979 1.00 40.54 C ATOM 1543 CG ASP A 96 -4.880 -14.194 -1.978 1.00 73.44 C ATOM 1544 OD1 ASP A 96 -4.574 -14.152 -3.189 1.00 10.50 O ATOM 1545 OD2 ASP A 96 -5.903 -14.769 -1.550 1.00 64.44 O ATOM 0 H ASP A 96 -6.067 -11.841 -1.754 1.00 52.41 H new ATOM 0 HA ASP A 96 -3.625 -11.583 -0.103 1.00 54.21 H new ATOM 0 HB2 ASP A 96 -2.929 -13.768 -1.209 1.00 40.54 H new ATOM 0 HB3 ASP A 96 -4.172 -13.899 0.020 1.00 40.54 H new ATOM 1550 N THR A 97 -2.211 -11.746 -2.449 1.00 0.11 N ATOM 1551 CA THR A 97 -1.475 -11.247 -3.603 1.00 53.35 C ATOM 1552 C THR A 97 -1.780 -12.072 -4.849 1.00 12.43 C ATOM 1553 O THR A 97 -1.617 -11.599 -5.973 1.00 11.43 O ATOM 1554 CB THR A 97 0.045 -11.263 -3.351 1.00 14.01 C ATOM 1555 OG1 THR A 97 0.370 -10.391 -2.263 1.00 70.42 O ATOM 1556 CG2 THR A 97 0.804 -10.833 -4.597 1.00 25.42 C ATOM 0 H THR A 97 -1.675 -12.368 -1.844 1.00 0.11 H new ATOM 0 HA THR A 97 -1.799 -10.218 -3.763 1.00 53.35 H new ATOM 0 HB THR A 97 0.339 -12.282 -3.099 1.00 14.01 H new ATOM 0 HG1 THR A 97 -0.171 -9.576 -2.324 1.00 70.42 H new ATOM 0 HG21 THR A 97 1.875 -10.852 -4.395 1.00 25.42 H new ATOM 0 HG22 THR A 97 0.577 -11.516 -5.415 1.00 25.42 H new ATOM 0 HG23 THR A 97 0.505 -9.822 -4.875 1.00 25.42 H new ATOM 1564 N GLU A 98 -2.225 -13.307 -4.640 1.00 71.11 N ATOM 1565 CA GLU A 98 -2.553 -14.197 -5.748 1.00 54.24 C ATOM 1566 C GLU A 98 -3.835 -13.748 -6.445 1.00 73.44 C ATOM 1567 O GLU A 98 -4.032 -14.005 -7.632 1.00 33.41 O ATOM 1568 CB GLU A 98 -2.709 -15.635 -5.247 1.00 44.15 C ATOM 1569 CG GLU A 98 -1.392 -16.383 -5.130 1.00 73.21 C ATOM 1570 CD GLU A 98 -0.653 -16.066 -3.844 1.00 71.52 C ATOM 1571 OE1 GLU A 98 -1.171 -15.259 -3.046 1.00 44.12 O ATOM 1572 OE2 GLU A 98 0.443 -16.629 -3.637 1.00 41.52 O ATOM 0 H GLU A 98 -2.367 -13.714 -3.715 1.00 71.11 H new ATOM 0 HA GLU A 98 -1.735 -14.157 -6.467 1.00 54.24 H new ATOM 0 HB2 GLU A 98 -3.197 -15.621 -4.273 1.00 44.15 H new ATOM 0 HB3 GLU A 98 -3.367 -16.178 -5.925 1.00 44.15 H new ATOM 0 HG2 GLU A 98 -1.582 -17.455 -5.181 1.00 73.21 H new ATOM 0 HG3 GLU A 98 -0.758 -16.131 -5.980 1.00 73.21 H new ATOM 1579 N GLY A 99 -4.705 -13.077 -5.696 1.00 52.25 N ATOM 1580 CA GLY A 99 -5.956 -12.604 -6.259 1.00 14.53 C ATOM 1581 C GLY A 99 -5.807 -11.274 -6.971 1.00 13.23 C ATOM 1582 O GLY A 99 -6.487 -11.013 -7.962 1.00 74.13 O ATOM 0 H GLY A 99 -4.566 -12.853 -4.711 1.00 52.25 H new ATOM 0 HA2 GLY A 99 -6.339 -13.346 -6.959 1.00 14.53 H new ATOM 0 HA3 GLY A 99 -6.694 -12.506 -5.463 1.00 14.53 H new ATOM 1586 N ALA A 100 -4.914 -10.430 -6.464 1.00 11.14 N ATOM 1587 CA ALA A 100 -4.677 -9.121 -7.059 1.00 45.22 C ATOM 1588 C ALA A 100 -3.877 -9.242 -8.351 1.00 43.14 C ATOM 1589 O ALA A 100 -4.111 -8.505 -9.310 1.00 64.30 O ATOM 1590 CB ALA A 100 -3.955 -8.216 -6.072 1.00 55.50 C ATOM 0 H ALA A 100 -4.343 -10.630 -5.643 1.00 11.14 H new ATOM 0 HA ALA A 100 -5.643 -8.679 -7.301 1.00 45.22 H new ATOM 0 HB1 ALA A 100 -3.784 -7.242 -6.530 1.00 55.50 H new ATOM 0 HB2 ALA A 100 -4.565 -8.095 -5.177 1.00 55.50 H new ATOM 0 HB3 ALA A 100 -2.998 -8.662 -5.802 1.00 55.50 H new ATOM 1596 N LYS A 101 -2.931 -10.174 -8.371 1.00 22.33 N ATOM 1597 CA LYS A 101 -2.094 -10.393 -9.545 1.00 11.13 C ATOM 1598 C LYS A 101 -2.932 -10.869 -10.728 1.00 1.04 C ATOM 1599 O LYS A 101 -2.631 -10.554 -11.879 1.00 13.44 O ATOM 1600 CB LYS A 101 -1.001 -11.418 -9.235 1.00 72.02 C ATOM 1601 CG LYS A 101 0.134 -11.421 -10.244 1.00 44.44 C ATOM 1602 CD LYS A 101 0.290 -12.781 -10.903 1.00 4.41 C ATOM 1603 CE LYS A 101 1.043 -13.751 -10.005 1.00 62.43 C ATOM 1604 NZ LYS A 101 0.120 -14.678 -9.293 1.00 53.52 N ATOM 0 H LYS A 101 -2.724 -10.791 -7.586 1.00 22.33 H new ATOM 0 HA LYS A 101 -1.628 -9.444 -9.810 1.00 11.13 H new ATOM 0 HB2 LYS A 101 -0.595 -11.215 -8.244 1.00 72.02 H new ATOM 0 HB3 LYS A 101 -1.447 -12.412 -9.199 1.00 72.02 H new ATOM 0 HG2 LYS A 101 -0.054 -10.665 -11.007 1.00 44.44 H new ATOM 0 HG3 LYS A 101 1.065 -11.148 -9.747 1.00 44.44 H new ATOM 0 HD2 LYS A 101 -0.694 -13.188 -11.137 1.00 4.41 H new ATOM 0 HD3 LYS A 101 0.822 -12.670 -11.848 1.00 4.41 H new ATOM 0 HE2 LYS A 101 1.747 -14.329 -10.604 1.00 62.43 H new ATOM 0 HE3 LYS A 101 1.629 -13.191 -9.276 1.00 62.43 H new ATOM 0 HZ1 LYS A 101 0.662 -15.473 -8.899 1.00 53.52 H new ATOM 0 HZ2 LYS A 101 -0.357 -14.168 -8.522 1.00 53.52 H new ATOM 0 HZ3 LYS A 101 -0.590 -15.041 -9.960 1.00 53.52 H new ATOM 1618 N GLN A 102 -3.984 -11.627 -10.435 1.00 64.44 N ATOM 1619 CA GLN A 102 -4.864 -12.145 -11.475 1.00 63.41 C ATOM 1620 C GLN A 102 -5.717 -11.030 -12.072 1.00 70.31 C ATOM 1621 O GLN A 102 -5.712 -10.813 -13.284 1.00 51.11 O ATOM 1622 CB GLN A 102 -5.764 -13.245 -10.910 1.00 54.00 C ATOM 1623 CG GLN A 102 -5.014 -14.514 -10.538 1.00 61.01 C ATOM 1624 CD GLN A 102 -5.882 -15.507 -9.791 1.00 21.05 C ATOM 1625 OE1 GLN A 102 -5.643 -15.799 -8.619 1.00 30.34 O ATOM 1626 NE2 GLN A 102 -6.897 -16.033 -10.466 1.00 51.33 N ATOM 0 H GLN A 102 -4.247 -11.896 -9.487 1.00 64.44 H new ATOM 0 HA GLN A 102 -4.242 -12.565 -12.266 1.00 63.41 H new ATOM 0 HB2 GLN A 102 -6.278 -12.865 -10.027 1.00 54.00 H new ATOM 0 HB3 GLN A 102 -6.531 -13.489 -11.645 1.00 54.00 H new ATOM 0 HG2 GLN A 102 -4.629 -14.983 -11.444 1.00 61.01 H new ATOM 0 HG3 GLN A 102 -4.153 -14.255 -9.922 1.00 61.01 H new ATOM 0 HE21 GLN A 102 -7.059 -15.763 -11.436 1.00 51.33 H new ATOM 0 HE22 GLN A 102 -7.515 -16.707 -10.014 1.00 51.33 H new ATOM 1635 N ILE A 103 -6.447 -10.327 -11.213 1.00 32.30 N ATOM 1636 CA ILE A 103 -7.305 -9.235 -11.656 1.00 1.13 C ATOM 1637 C ILE A 103 -6.538 -8.258 -12.540 1.00 44.20 C ATOM 1638 O ILE A 103 -7.086 -7.700 -13.490 1.00 55.25 O ATOM 1639 CB ILE A 103 -7.902 -8.468 -10.461 1.00 30.51 C ATOM 1640 CG1 ILE A 103 -8.756 -9.403 -9.602 1.00 0.03 C ATOM 1641 CG2 ILE A 103 -8.727 -7.287 -10.949 1.00 12.13 C ATOM 1642 CD1 ILE A 103 -9.257 -8.763 -8.327 1.00 20.15 C ATOM 0 H ILE A 103 -6.462 -10.494 -10.207 1.00 32.30 H new ATOM 0 HA ILE A 103 -8.115 -9.683 -12.231 1.00 1.13 H new ATOM 0 HB ILE A 103 -7.085 -8.087 -9.848 1.00 30.51 H new ATOM 0 HG12 ILE A 103 -9.610 -9.743 -10.188 1.00 0.03 H new ATOM 0 HG13 ILE A 103 -8.171 -10.287 -9.349 1.00 0.03 H new ATOM 0 HG21 ILE A 103 -9.142 -6.755 -10.093 1.00 12.13 H new ATOM 0 HG22 ILE A 103 -8.092 -6.612 -11.523 1.00 12.13 H new ATOM 0 HG23 ILE A 103 -9.539 -7.647 -11.581 1.00 12.13 H new ATOM 0 HD11 ILE A 103 -9.855 -9.484 -7.769 1.00 20.15 H new ATOM 0 HD12 ILE A 103 -8.408 -8.448 -7.720 1.00 20.15 H new ATOM 0 HD13 ILE A 103 -9.870 -7.895 -8.572 1.00 20.15 H new ATOM 1654 N VAL A 104 -5.263 -8.056 -12.222 1.00 64.12 N ATOM 1655 CA VAL A 104 -4.418 -7.148 -12.989 1.00 21.42 C ATOM 1656 C VAL A 104 -4.083 -7.734 -14.357 1.00 51.32 C ATOM 1657 O VAL A 104 -4.263 -7.078 -15.384 1.00 15.14 O ATOM 1658 CB VAL A 104 -3.107 -6.836 -12.242 1.00 62.24 C ATOM 1659 CG1 VAL A 104 -2.214 -5.938 -13.085 1.00 0.22 C ATOM 1660 CG2 VAL A 104 -3.402 -6.195 -10.894 1.00 70.23 C ATOM 0 H VAL A 104 -4.793 -8.509 -11.438 1.00 64.12 H new ATOM 0 HA VAL A 104 -4.982 -6.224 -13.120 1.00 21.42 H new ATOM 0 HB VAL A 104 -2.577 -7.772 -12.065 1.00 62.24 H new ATOM 0 HG11 VAL A 104 -1.293 -5.728 -12.542 1.00 0.22 H new ATOM 0 HG12 VAL A 104 -1.976 -6.439 -14.023 1.00 0.22 H new ATOM 0 HG13 VAL A 104 -2.733 -5.003 -13.295 1.00 0.22 H new ATOM 0 HG21 VAL A 104 -2.465 -5.981 -10.380 1.00 70.23 H new ATOM 0 HG22 VAL A 104 -3.953 -5.267 -11.045 1.00 70.23 H new ATOM 0 HG23 VAL A 104 -4.000 -6.877 -10.290 1.00 70.23 H new ATOM 1670 N ARG A 105 -3.596 -8.969 -14.363 1.00 32.20 N ATOM 1671 CA ARG A 105 -3.236 -9.643 -15.604 1.00 52.02 C ATOM 1672 C ARG A 105 -4.393 -9.607 -16.598 1.00 14.40 C ATOM 1673 O ARG A 105 -4.210 -9.269 -17.767 1.00 54.35 O ATOM 1674 CB ARG A 105 -2.834 -11.092 -15.326 1.00 62.22 C ATOM 1675 CG ARG A 105 -2.506 -11.886 -16.581 1.00 13.13 C ATOM 1676 CD ARG A 105 -1.275 -11.335 -17.282 1.00 74.12 C ATOM 1677 NE ARG A 105 -0.631 -12.339 -18.125 1.00 61.12 N ATOM 1678 CZ ARG A 105 0.163 -13.294 -17.654 1.00 74.00 C ATOM 1679 NH1 ARG A 105 0.409 -13.375 -16.353 1.00 73.04 N ATOM 1680 NH2 ARG A 105 0.713 -14.172 -18.484 1.00 72.14 N ATOM 0 H ARG A 105 -3.441 -9.524 -13.522 1.00 32.20 H new ATOM 0 HA ARG A 105 -2.388 -9.116 -16.040 1.00 52.02 H new ATOM 0 HB2 ARG A 105 -1.967 -11.099 -14.665 1.00 62.22 H new ATOM 0 HB3 ARG A 105 -3.645 -11.589 -14.794 1.00 62.22 H new ATOM 0 HG2 ARG A 105 -2.340 -12.931 -16.319 1.00 13.13 H new ATOM 0 HG3 ARG A 105 -3.356 -11.860 -17.262 1.00 13.13 H new ATOM 0 HD2 ARG A 105 -1.558 -10.477 -17.892 1.00 74.12 H new ATOM 0 HD3 ARG A 105 -0.564 -10.976 -16.538 1.00 74.12 H new ATOM 0 HE ARG A 105 -0.800 -12.305 -19.130 1.00 61.12 H new ATOM 0 HH11 ARG A 105 -0.012 -12.703 -15.712 1.00 73.04 H new ATOM 0 HH12 ARG A 105 1.019 -14.109 -15.994 1.00 73.04 H new ATOM 0 HH21 ARG A 105 0.526 -14.114 -19.485 1.00 72.14 H new ATOM 0 HH22 ARG A 105 1.323 -14.905 -18.121 1.00 72.14 H new ATOM 1694 N ARG A 106 -5.584 -9.959 -16.124 1.00 44.44 N ATOM 1695 CA ARG A 106 -6.771 -9.968 -16.971 1.00 61.10 C ATOM 1696 C ARG A 106 -7.069 -8.571 -17.506 1.00 10.52 C ATOM 1697 O ARG A 106 -7.461 -8.406 -18.661 1.00 31.53 O ATOM 1698 CB ARG A 106 -7.976 -10.495 -16.191 1.00 72.32 C ATOM 1699 CG ARG A 106 -8.982 -11.241 -17.053 1.00 1.31 C ATOM 1700 CD ARG A 106 -10.154 -11.750 -16.229 1.00 3.24 C ATOM 1701 NE ARG A 106 -11.357 -10.950 -16.437 1.00 13.30 N ATOM 1702 CZ ARG A 106 -12.407 -10.975 -15.623 1.00 11.33 C ATOM 1703 NH1 ARG A 106 -12.399 -11.755 -14.550 1.00 55.22 N ATOM 1704 NH2 ARG A 106 -13.466 -10.218 -15.880 1.00 22.34 N ATOM 0 H ARG A 106 -5.752 -10.242 -15.158 1.00 44.44 H new ATOM 0 HA ARG A 106 -6.577 -10.628 -17.817 1.00 61.10 H new ATOM 0 HB2 ARG A 106 -7.624 -11.159 -15.401 1.00 72.32 H new ATOM 0 HB3 ARG A 106 -8.477 -9.658 -15.705 1.00 72.32 H new ATOM 0 HG2 ARG A 106 -9.348 -10.581 -17.840 1.00 1.31 H new ATOM 0 HG3 ARG A 106 -8.490 -12.080 -17.544 1.00 1.31 H new ATOM 0 HD2 ARG A 106 -10.359 -12.788 -16.492 1.00 3.24 H new ATOM 0 HD3 ARG A 106 -9.887 -11.736 -15.172 1.00 3.24 H new ATOM 0 HE ARG A 106 -11.394 -10.338 -17.252 1.00 13.30 H new ATOM 0 HH11 ARG A 106 -11.586 -12.337 -14.349 1.00 55.22 H new ATOM 0 HH12 ARG A 106 -13.206 -11.773 -13.926 1.00 55.22 H new ATOM 0 HH21 ARG A 106 -13.475 -9.616 -16.703 1.00 22.34 H new ATOM 0 HH22 ARG A 106 -14.271 -10.238 -15.254 1.00 22.34 H new ATOM 1718 N HIS A 107 -6.881 -7.566 -16.656 1.00 1.41 N ATOM 1719 CA HIS A 107 -7.130 -6.181 -17.042 1.00 5.14 C ATOM 1720 C HIS A 107 -6.241 -5.777 -18.215 1.00 70.14 C ATOM 1721 O HIS A 107 -6.722 -5.011 -19.053 1.00 24.43 O ATOM 1722 CB HIS A 107 -6.884 -5.246 -15.856 1.00 63.13 C ATOM 1723 CG HIS A 107 -8.084 -5.064 -14.978 1.00 64.43 C ATOM 1724 ND1 HIS A 107 -9.365 -4.943 -15.471 1.00 74.21 N ATOM 1725 CD2 HIS A 107 -8.191 -4.985 -13.631 1.00 42.34 C ATOM 1726 CE1 HIS A 107 -10.209 -4.796 -14.466 1.00 11.15 C ATOM 1727 NE2 HIS A 107 -9.521 -4.818 -13.338 1.00 40.13 N ATOM 0 H HIS A 107 -6.557 -7.685 -15.696 1.00 1.41 H new ATOM 0 HA HIS A 107 -8.172 -6.097 -17.351 1.00 5.14 H new ATOM 0 HB2 HIS A 107 -6.063 -5.640 -15.258 1.00 63.13 H new ATOM 0 HB3 HIS A 107 -6.567 -4.273 -16.231 1.00 63.13 H new ATOM 0 HD2 HIS A 107 -7.381 -5.043 -12.919 1.00 42.34 H new ATOM 0 HE1 HIS A 107 -11.279 -4.678 -14.551 1.00 11.15 H new ATOM 0 HE2 HIS A 107 -9.915 -4.726 -12.402 1.00 40.13 H new ATOM 1735 N LEU A 108 -5.004 -6.252 -18.297 1.00 32.44 N ATOM 1736 CA LEU A 108 -4.117 -5.895 -19.400 1.00 54.34 C ATOM 1737 C LEU A 108 -4.558 -6.573 -20.693 1.00 42.01 C ATOM 1738 O LEU A 108 -4.494 -5.980 -21.771 1.00 12.02 O ATOM 1739 CB LEU A 108 -2.676 -6.287 -19.069 1.00 51.44 C ATOM 1740 CG LEU A 108 -2.036 -5.555 -17.890 1.00 32.50 C ATOM 1741 CD1 LEU A 108 -1.082 -6.477 -17.146 1.00 22.33 C ATOM 1742 CD2 LEU A 108 -1.310 -4.306 -18.367 1.00 31.15 C ATOM 0 H LEU A 108 -4.591 -6.886 -17.613 1.00 32.44 H new ATOM 0 HA LEU A 108 -4.169 -4.816 -19.542 1.00 54.34 H new ATOM 0 HB2 LEU A 108 -2.650 -7.357 -18.864 1.00 51.44 H new ATOM 0 HB3 LEU A 108 -2.062 -6.117 -19.953 1.00 51.44 H new ATOM 0 HG LEU A 108 -2.826 -5.251 -17.203 1.00 32.50 H new ATOM 0 HD11 LEU A 108 -0.635 -5.940 -16.310 1.00 22.33 H new ATOM 0 HD12 LEU A 108 -1.630 -7.341 -16.771 1.00 22.33 H new ATOM 0 HD13 LEU A 108 -0.297 -6.811 -17.824 1.00 22.33 H new ATOM 0 HD21 LEU A 108 -0.861 -3.798 -17.514 1.00 31.15 H new ATOM 0 HD22 LEU A 108 -0.530 -4.587 -19.074 1.00 31.15 H new ATOM 0 HD23 LEU A 108 -2.019 -3.637 -18.855 1.00 31.15 H new