USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 751 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 42 ASN : amide:sc= -0.0428 K(o=-2.5,f=-5.3!) USER MOD Set 1.2: A 119 MET CE :methyl 141:sc= -2.44! (180deg=-6.68!) USER MOD Set 2.1: A 69 ASN : amide:sc= -0.127 X(o=-0.13,f=-0.13) USER MOD Set 2.2: A 73 LYS NZ :NH3+ -167:sc= 0 (180deg=0) USER MOD Set 3.1: A 58 SER OG : rot 44:sc= 0.311 USER MOD Set 3.2: A 60 ASN : amide:sc= -2.24! C(o=-1.9!,f=-10!) USER MOD Set 4.1: A 52 GLN : amide:sc= -0.843! C(o=0.11!,f=-19!) USER MOD Set 4.2: A 53 LYS NZ :NH3+ -169:sc= 0.949 (180deg=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.197 K(o=-0.2,f=-0.94) USER MOD Single : A 20 GLN : amide:sc= -0.78 K(o=-0.78,f=-3.3!) USER MOD Single : A 22 LYS NZ :NH3+ -171:sc= -1.82 (180deg=-2.26) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.0122 K(o=-0.012,f=-1.2) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot 180:sc= -1.85! USER MOD Single : A 46 SER OG : rot -7:sc= 1.1 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 CYS SG : rot 180:sc= -0.0762 USER MOD Single : A 55 GLN : amide:sc=-0.00456 X(o=-0.0046,f=-0.16) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -2 K(o=-2,f=-1.5) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ -144:sc= -0.183 (180deg=-0.987) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 GLN : amide:sc= -1.04 K(o=-1,f=-3.8!) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 HIS : no HD1:sc= -1.03 K(o=-1,f=-2.4!) USER MOD Single : A 122 GLN : amide:sc= -0.519 K(o=-0.52,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 172 N MET A 11 -4.655 3.552 7.622 1.00 0.00 N ATOM 173 CA MET A 11 -3.352 2.936 7.440 1.00 0.00 C ATOM 174 C MET A 11 -3.275 1.591 8.165 1.00 0.00 C ATOM 175 O MET A 11 -2.659 0.649 7.670 1.00 0.00 O ATOM 176 CB MET A 11 -2.266 3.870 7.978 1.00 0.00 C ATOM 177 CG MET A 11 -2.361 4.002 9.500 1.00 0.00 C ATOM 178 SD MET A 11 -1.438 2.691 10.285 1.00 0.00 S ATOM 179 CE MET A 11 -0.667 3.606 11.610 1.00 0.00 C ATOM 0 HA MET A 11 -3.199 2.762 6.375 1.00 0.00 H new ATOM 0 HB2 MET A 11 -1.283 3.487 7.703 1.00 0.00 H new ATOM 0 HB3 MET A 11 -2.365 4.853 7.517 1.00 0.00 H new ATOM 0 HG2 MET A 11 -1.972 4.970 9.814 1.00 0.00 H new ATOM 0 HG3 MET A 11 -3.404 3.961 9.812 1.00 0.00 H new ATOM 0 HE1 MET A 11 -0.049 2.934 12.205 1.00 0.00 H new ATOM 0 HE2 MET A 11 -0.045 4.397 11.192 1.00 0.00 H new ATOM 0 HE3 MET A 11 -1.437 4.047 12.244 1.00 0.00 H new ATOM 189 N ARG A 12 -3.909 1.545 9.327 1.00 0.00 N ATOM 190 CA ARG A 12 -3.921 0.331 10.126 1.00 0.00 C ATOM 191 C ARG A 12 -4.430 -0.847 9.294 1.00 0.00 C ATOM 192 O ARG A 12 -3.817 -1.914 9.282 1.00 0.00 O ATOM 193 CB ARG A 12 -4.807 0.494 11.363 1.00 0.00 C ATOM 194 CG ARG A 12 -3.969 0.830 12.598 1.00 0.00 C ATOM 195 CD ARG A 12 -4.863 1.126 13.803 1.00 0.00 C ATOM 196 NE ARG A 12 -4.870 -0.032 14.725 1.00 0.00 N ATOM 197 CZ ARG A 12 -5.773 -0.211 15.699 1.00 0.00 C ATOM 198 NH1 ARG A 12 -6.747 0.690 15.884 1.00 0.00 N ATOM 199 NH2 ARG A 12 -5.702 -1.292 16.488 1.00 0.00 N ATOM 0 H ARG A 12 -4.418 2.329 9.735 1.00 0.00 H new ATOM 0 HA ARG A 12 -2.898 0.137 10.449 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.538 1.284 11.189 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -5.366 -0.425 11.538 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -3.305 -0.003 12.829 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -3.337 1.693 12.389 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -4.503 2.014 14.324 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.878 1.342 13.469 1.00 0.00 H new ATOM 0 HE ARG A 12 -4.142 -0.738 14.612 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -6.802 1.513 15.283 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -7.434 0.553 16.625 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -4.961 -1.978 16.347 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -6.389 -1.428 17.229 1.00 0.00 H new ATOM 213 N GLN A 13 -5.546 -0.615 8.618 1.00 0.00 N ATOM 214 CA GLN A 13 -6.144 -1.644 7.785 1.00 0.00 C ATOM 215 C GLN A 13 -5.188 -2.036 6.656 1.00 0.00 C ATOM 216 O GLN A 13 -4.971 -3.220 6.405 1.00 0.00 O ATOM 217 CB GLN A 13 -7.492 -1.183 7.227 1.00 0.00 C ATOM 218 CG GLN A 13 -8.524 -1.028 8.345 1.00 0.00 C ATOM 219 CD GLN A 13 -8.897 -2.387 8.940 1.00 0.00 C ATOM 220 OE1 GLN A 13 -9.662 -3.152 8.376 1.00 0.00 O ATOM 221 NE2 GLN A 13 -8.315 -2.644 10.108 1.00 0.00 N ATOM 0 H GLN A 13 -6.052 0.271 8.630 1.00 0.00 H new ATOM 0 HA GLN A 13 -6.325 -2.524 8.403 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.369 -0.233 6.707 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.851 -1.904 6.493 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -8.124 -0.382 9.127 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -9.417 -0.540 7.955 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -7.684 -1.959 10.525 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -8.499 -3.526 10.587 1.00 0.00 H new ATOM 230 N LEU A 14 -4.643 -1.018 6.006 1.00 0.00 N ATOM 231 CA LEU A 14 -3.715 -1.241 4.910 1.00 0.00 C ATOM 232 C LEU A 14 -2.688 -2.297 5.324 1.00 0.00 C ATOM 233 O LEU A 14 -2.504 -3.295 4.628 1.00 0.00 O ATOM 234 CB LEU A 14 -3.090 0.081 4.460 1.00 0.00 C ATOM 235 CG LEU A 14 -3.674 0.699 3.188 1.00 0.00 C ATOM 236 CD1 LEU A 14 -3.411 -0.194 1.974 1.00 0.00 C ATOM 237 CD2 LEU A 14 -5.162 1.008 3.361 1.00 0.00 C ATOM 0 H LEU A 14 -4.826 -0.037 6.217 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.241 -1.631 4.039 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.191 0.803 5.271 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.023 -0.078 4.306 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.168 1.647 3.006 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.836 0.268 1.083 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.336 -0.319 1.840 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.873 -1.169 2.132 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.552 1.446 2.442 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.702 0.087 3.581 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.294 1.711 4.183 1.00 0.00 H new ATOM 249 N ILE A 15 -2.046 -2.042 6.454 1.00 0.00 N ATOM 250 CA ILE A 15 -1.043 -2.958 6.969 1.00 0.00 C ATOM 251 C ILE A 15 -1.729 -4.233 7.464 1.00 0.00 C ATOM 252 O ILE A 15 -1.111 -5.295 7.512 1.00 0.00 O ATOM 253 CB ILE A 15 -0.183 -2.270 8.031 1.00 0.00 C ATOM 254 CG1 ILE A 15 0.648 -1.141 7.417 1.00 0.00 C ATOM 255 CG2 ILE A 15 0.688 -3.285 8.773 1.00 0.00 C ATOM 256 CD1 ILE A 15 -0.059 0.207 7.570 1.00 0.00 C ATOM 0 H ILE A 15 -2.201 -1.213 7.028 1.00 0.00 H new ATOM 0 HA ILE A 15 -0.354 -3.253 6.177 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.847 -1.817 8.767 1.00 0.00 H new ATOM 0 HG12 ILE A 15 1.625 -1.100 7.899 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.822 -1.346 6.361 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.289 -2.770 9.522 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.051 -4.022 9.263 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.345 -3.788 8.064 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.553 0.992 7.125 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.025 0.171 7.066 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.210 0.421 8.628 1.00 0.00 H new ATOM 268 N ASP A 16 -2.996 -4.085 7.820 1.00 0.00 N ATOM 269 CA ASP A 16 -3.772 -5.211 8.310 1.00 0.00 C ATOM 270 C ASP A 16 -4.054 -6.172 7.154 1.00 0.00 C ATOM 271 O ASP A 16 -3.589 -7.311 7.162 1.00 0.00 O ATOM 272 CB ASP A 16 -5.116 -4.749 8.878 1.00 0.00 C ATOM 273 CG ASP A 16 -5.706 -5.654 9.961 1.00 0.00 C ATOM 274 OD1 ASP A 16 -5.425 -6.870 9.900 1.00 0.00 O ATOM 275 OD2 ASP A 16 -6.425 -5.109 10.827 1.00 0.00 O ATOM 0 H ASP A 16 -3.505 -3.202 7.779 1.00 0.00 H new ATOM 0 HA ASP A 16 -3.197 -5.700 9.096 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -4.994 -3.747 9.290 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -5.832 -4.673 8.060 1.00 0.00 H new ATOM 280 N ILE A 17 -4.813 -5.679 6.187 1.00 0.00 N ATOM 281 CA ILE A 17 -5.162 -6.480 5.026 1.00 0.00 C ATOM 282 C ILE A 17 -3.891 -7.094 4.435 1.00 0.00 C ATOM 283 O ILE A 17 -3.874 -8.271 4.078 1.00 0.00 O ATOM 284 CB ILE A 17 -5.967 -5.650 4.025 1.00 0.00 C ATOM 285 CG1 ILE A 17 -5.442 -4.215 3.954 1.00 0.00 C ATOM 286 CG2 ILE A 17 -7.462 -5.698 4.349 1.00 0.00 C ATOM 287 CD1 ILE A 17 -5.299 -3.754 2.502 1.00 0.00 C ATOM 0 H ILE A 17 -5.197 -4.734 6.184 1.00 0.00 H new ATOM 0 HA ILE A 17 -5.812 -7.306 5.314 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.838 -6.089 3.036 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -6.122 -3.549 4.485 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -4.476 -4.152 4.456 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -8.011 -5.100 3.622 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -7.810 -6.730 4.307 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -7.631 -5.299 5.349 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -4.924 -2.731 2.480 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.600 -4.408 1.980 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -6.271 -3.795 2.010 1.00 0.00 H new ATOM 299 N VAL A 18 -2.858 -6.269 4.350 1.00 0.00 N ATOM 300 CA VAL A 18 -1.586 -6.716 3.808 1.00 0.00 C ATOM 301 C VAL A 18 -1.111 -7.947 4.583 1.00 0.00 C ATOM 302 O VAL A 18 -0.837 -8.989 3.991 1.00 0.00 O ATOM 303 CB VAL A 18 -0.575 -5.568 3.832 1.00 0.00 C ATOM 304 CG1 VAL A 18 0.832 -6.069 3.499 1.00 0.00 C ATOM 305 CG2 VAL A 18 -0.997 -4.446 2.881 1.00 0.00 C ATOM 0 H VAL A 18 -2.876 -5.293 4.647 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.698 -7.011 2.765 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.555 -5.161 4.843 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.531 -5.233 3.523 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.135 -6.817 4.232 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.834 -6.515 2.504 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.261 -3.642 2.917 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.060 -4.835 1.865 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.971 -4.060 3.183 1.00 0.00 H new ATOM 315 N ASP A 19 -1.029 -7.785 5.895 1.00 0.00 N ATOM 316 CA ASP A 19 -0.592 -8.870 6.757 1.00 0.00 C ATOM 317 C ASP A 19 -1.585 -10.029 6.654 1.00 0.00 C ATOM 318 O ASP A 19 -1.189 -11.194 6.655 1.00 0.00 O ATOM 319 CB ASP A 19 -0.537 -8.424 8.219 1.00 0.00 C ATOM 320 CG ASP A 19 -0.651 -9.554 9.245 1.00 0.00 C ATOM 321 OD1 ASP A 19 0.077 -10.555 9.070 1.00 0.00 O ATOM 322 OD2 ASP A 19 -1.464 -9.391 10.181 1.00 0.00 O ATOM 0 H ASP A 19 -1.258 -6.919 6.382 1.00 0.00 H new ATOM 0 HA ASP A 19 0.404 -9.176 6.435 1.00 0.00 H new ATOM 0 HB2 ASP A 19 0.401 -7.895 8.387 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.342 -7.710 8.396 1.00 0.00 H new ATOM 327 N GLN A 20 -2.858 -9.670 6.567 1.00 0.00 N ATOM 328 CA GLN A 20 -3.911 -10.666 6.463 1.00 0.00 C ATOM 329 C GLN A 20 -3.745 -11.483 5.180 1.00 0.00 C ATOM 330 O GLN A 20 -3.794 -12.711 5.211 1.00 0.00 O ATOM 331 CB GLN A 20 -5.292 -10.011 6.521 1.00 0.00 C ATOM 332 CG GLN A 20 -6.284 -10.889 7.287 1.00 0.00 C ATOM 333 CD GLN A 20 -5.966 -10.895 8.784 1.00 0.00 C ATOM 334 OE1 GLN A 20 -4.985 -11.462 9.235 1.00 0.00 O ATOM 335 NE2 GLN A 20 -6.850 -10.234 9.527 1.00 0.00 N ATOM 0 H GLN A 20 -3.184 -8.703 6.566 1.00 0.00 H new ATOM 0 HA GLN A 20 -3.830 -11.342 7.314 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.216 -9.036 7.003 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -5.659 -9.839 5.509 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -7.298 -10.522 7.128 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.249 -11.907 6.900 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -7.650 -9.781 9.085 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -6.727 -10.180 10.538 1.00 0.00 H new ATOM 344 N LEU A 21 -3.551 -10.767 4.082 1.00 0.00 N ATOM 345 CA LEU A 21 -3.377 -11.410 2.790 1.00 0.00 C ATOM 346 C LEU A 21 -2.062 -12.194 2.788 1.00 0.00 C ATOM 347 O LEU A 21 -1.993 -13.295 2.244 1.00 0.00 O ATOM 348 CB LEU A 21 -3.481 -10.383 1.662 1.00 0.00 C ATOM 349 CG LEU A 21 -2.788 -10.755 0.349 1.00 0.00 C ATOM 350 CD1 LEU A 21 -1.269 -10.620 0.474 1.00 0.00 C ATOM 351 CD2 LEU A 21 -3.204 -12.153 -0.113 1.00 0.00 C ATOM 0 H LEU A 21 -3.510 -9.748 4.060 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.178 -12.128 2.611 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.536 -10.206 1.455 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.063 -9.441 2.016 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.111 -10.053 -0.420 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.801 -10.890 -0.472 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.015 -9.590 0.724 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.908 -11.284 1.260 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.698 -12.393 -1.048 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.929 -12.884 0.647 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.283 -12.179 -0.268 1.00 0.00 H new ATOM 363 N LYS A 22 -1.053 -11.595 3.404 1.00 0.00 N ATOM 364 CA LYS A 22 0.255 -12.224 3.480 1.00 0.00 C ATOM 365 C LYS A 22 0.099 -13.657 3.991 1.00 0.00 C ATOM 366 O LYS A 22 0.463 -14.609 3.302 1.00 0.00 O ATOM 367 CB LYS A 22 1.210 -11.372 4.319 1.00 0.00 C ATOM 368 CG LYS A 22 2.191 -10.609 3.427 1.00 0.00 C ATOM 369 CD LYS A 22 2.481 -9.218 3.996 1.00 0.00 C ATOM 370 CE LYS A 22 3.565 -9.282 5.074 1.00 0.00 C ATOM 371 NZ LYS A 22 3.405 -10.501 5.898 1.00 0.00 N ATOM 0 H LYS A 22 -1.115 -10.682 3.855 1.00 0.00 H new ATOM 0 HA LYS A 22 0.706 -12.287 2.490 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.639 -10.667 4.923 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.761 -12.010 5.009 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.121 -11.171 3.339 1.00 0.00 H new ATOM 0 HG3 LYS A 22 1.778 -10.516 2.422 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.800 -8.552 3.194 1.00 0.00 H new ATOM 0 HD3 LYS A 22 1.569 -8.796 4.417 1.00 0.00 H new ATOM 0 HE2 LYS A 22 4.550 -9.278 4.608 1.00 0.00 H new ATOM 0 HE3 LYS A 22 3.508 -8.397 5.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 4.048 -10.455 6.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.423 -10.567 6.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.632 -11.339 5.326 1.00 0.00 H new ATOM 385 N ASN A 23 -0.444 -13.766 5.195 1.00 0.00 N ATOM 386 CA ASN A 23 -0.653 -15.068 5.806 1.00 0.00 C ATOM 387 C ASN A 23 -1.446 -15.956 4.846 1.00 0.00 C ATOM 388 O ASN A 23 -1.423 -17.180 4.965 1.00 0.00 O ATOM 389 CB ASN A 23 -1.452 -14.944 7.105 1.00 0.00 C ATOM 390 CG ASN A 23 -0.547 -15.125 8.325 1.00 0.00 C ATOM 391 OD1 ASN A 23 -0.587 -16.130 9.017 1.00 0.00 O ATOM 392 ND2 ASN A 23 0.269 -14.100 8.551 1.00 0.00 N ATOM 0 H ASN A 23 -0.745 -12.974 5.763 1.00 0.00 H new ATOM 0 HA ASN A 23 0.324 -15.500 6.023 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -1.935 -13.968 7.147 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -2.244 -15.692 7.121 1.00 0.00 H new ATOM 0 HD21 ASN A 23 0.912 -14.125 9.342 1.00 0.00 H new ATOM 0 HD22 ASN A 23 0.252 -13.289 7.933 1.00 0.00 H new ATOM 399 N TYR A 24 -2.129 -15.305 3.916 1.00 0.00 N ATOM 400 CA TYR A 24 -2.928 -16.021 2.936 1.00 0.00 C ATOM 401 C TYR A 24 -2.222 -16.064 1.579 1.00 0.00 C ATOM 402 O TYR A 24 -2.874 -16.118 0.537 1.00 0.00 O ATOM 403 CB TYR A 24 -4.230 -15.230 2.794 1.00 0.00 C ATOM 404 CG TYR A 24 -5.143 -15.309 4.020 1.00 0.00 C ATOM 405 CD1 TYR A 24 -5.291 -16.505 4.693 1.00 0.00 C ATOM 406 CD2 TYR A 24 -5.818 -14.186 4.451 1.00 0.00 C ATOM 407 CE1 TYR A 24 -6.150 -16.580 5.846 1.00 0.00 C ATOM 408 CE2 TYR A 24 -6.677 -14.261 5.604 1.00 0.00 C ATOM 409 CZ TYR A 24 -6.801 -15.454 6.245 1.00 0.00 C ATOM 410 OH TYR A 24 -7.612 -15.525 7.334 1.00 0.00 O ATOM 0 H TYR A 24 -2.146 -14.290 3.820 1.00 0.00 H new ATOM 0 HA TYR A 24 -3.096 -17.049 3.256 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.989 -14.185 2.600 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.774 -15.598 1.924 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -4.763 -17.384 4.355 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -5.702 -13.251 3.924 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -6.275 -17.509 6.382 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -7.211 -13.389 5.952 1.00 0.00 H new ATOM 0 HH TYR A 24 -8.010 -14.646 7.503 1.00 0.00 H new ATOM 420 N VAL A 25 -0.898 -16.039 1.636 1.00 0.00 N ATOM 421 CA VAL A 25 -0.097 -16.075 0.425 1.00 0.00 C ATOM 422 C VAL A 25 -0.395 -17.365 -0.341 1.00 0.00 C ATOM 423 O VAL A 25 -0.329 -17.392 -1.569 1.00 0.00 O ATOM 424 CB VAL A 25 1.385 -15.915 0.773 1.00 0.00 C ATOM 425 CG1 VAL A 25 2.273 -16.492 -0.332 1.00 0.00 C ATOM 426 CG2 VAL A 25 1.729 -14.450 1.045 1.00 0.00 C ATOM 0 H VAL A 25 -0.361 -15.994 2.502 1.00 0.00 H new ATOM 0 HA VAL A 25 -0.356 -15.242 -0.229 1.00 0.00 H new ATOM 0 HB VAL A 25 1.578 -16.479 1.686 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.321 -16.366 -0.060 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.056 -17.553 -0.456 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.075 -15.969 -1.268 1.00 0.00 H new ATOM 0 HG21 VAL A 25 2.788 -14.364 1.290 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.512 -13.855 0.158 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.133 -14.085 1.881 1.00 0.00 H new ATOM 436 N ASN A 26 -0.716 -18.404 0.416 1.00 0.00 N ATOM 437 CA ASN A 26 -1.025 -19.695 -0.177 1.00 0.00 C ATOM 438 C ASN A 26 -2.080 -19.510 -1.270 1.00 0.00 C ATOM 439 O ASN A 26 -2.210 -20.350 -2.159 1.00 0.00 O ATOM 440 CB ASN A 26 -1.590 -20.659 0.868 1.00 0.00 C ATOM 441 CG ASN A 26 -1.683 -22.080 0.309 1.00 0.00 C ATOM 442 OD1 ASN A 26 -1.009 -22.447 -0.640 1.00 0.00 O ATOM 443 ND2 ASN A 26 -2.551 -22.858 0.949 1.00 0.00 N ATOM 0 H ASN A 26 -0.769 -18.379 1.434 1.00 0.00 H new ATOM 0 HA ASN A 26 -0.103 -20.108 -0.587 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -0.955 -20.654 1.754 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -2.578 -20.322 1.182 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -2.684 -23.825 0.653 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.084 -22.488 1.736 1.00 0.00 H new ATOM 450 N ASP A 27 -2.805 -18.406 -1.167 1.00 0.00 N ATOM 451 CA ASP A 27 -3.844 -18.101 -2.136 1.00 0.00 C ATOM 452 C ASP A 27 -3.479 -16.815 -2.881 1.00 0.00 C ATOM 453 O ASP A 27 -4.311 -15.921 -3.027 1.00 0.00 O ATOM 454 CB ASP A 27 -5.192 -17.882 -1.447 1.00 0.00 C ATOM 455 CG ASP A 27 -5.876 -19.155 -0.943 1.00 0.00 C ATOM 456 OD1 ASP A 27 -5.150 -20.004 -0.381 1.00 0.00 O ATOM 457 OD2 ASP A 27 -7.108 -19.250 -1.132 1.00 0.00 O ATOM 0 H ASP A 27 -2.694 -17.712 -0.428 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.923 -18.944 -2.823 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.046 -17.208 -0.603 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.862 -17.380 -2.145 1.00 0.00 H new ATOM 462 N LEU A 28 -2.234 -16.763 -3.331 1.00 0.00 N ATOM 463 CA LEU A 28 -1.749 -15.602 -4.057 1.00 0.00 C ATOM 464 C LEU A 28 -1.265 -16.037 -5.442 1.00 0.00 C ATOM 465 O LEU A 28 -0.641 -17.087 -5.583 1.00 0.00 O ATOM 466 CB LEU A 28 -0.689 -14.863 -3.239 1.00 0.00 C ATOM 467 CG LEU A 28 -1.215 -13.899 -2.173 1.00 0.00 C ATOM 468 CD1 LEU A 28 -0.063 -13.200 -1.449 1.00 0.00 C ATOM 469 CD2 LEU A 28 -2.203 -12.900 -2.778 1.00 0.00 C ATOM 0 H LEU A 28 -1.547 -17.506 -3.207 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.556 -14.885 -4.212 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.055 -15.603 -2.750 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.054 -14.303 -3.926 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.759 -14.478 -1.427 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.465 -12.521 -0.697 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.568 -13.945 -0.965 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.530 -12.635 -2.169 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.562 -12.226 -2.000 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.705 -12.322 -3.557 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.047 -13.439 -3.209 1.00 0.00 H new ATOM 481 N VAL A 29 -1.570 -15.206 -6.428 1.00 0.00 N ATOM 482 CA VAL A 29 -1.173 -15.492 -7.796 1.00 0.00 C ATOM 483 C VAL A 29 0.042 -14.637 -8.160 1.00 0.00 C ATOM 484 O VAL A 29 -0.025 -13.409 -8.124 1.00 0.00 O ATOM 485 CB VAL A 29 -2.359 -15.278 -8.740 1.00 0.00 C ATOM 486 CG1 VAL A 29 -2.372 -13.850 -9.288 1.00 0.00 C ATOM 487 CG2 VAL A 29 -2.346 -16.301 -9.877 1.00 0.00 C ATOM 0 H VAL A 29 -2.087 -14.335 -6.307 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.877 -16.536 -7.897 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.274 -15.426 -8.167 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.224 -13.724 -9.956 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -2.451 -13.144 -8.461 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.450 -13.663 -9.838 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.199 -16.127 -10.533 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.423 -16.199 -10.447 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.407 -17.307 -9.462 1.00 0.00 H new ATOM 497 N PRO A 30 1.154 -15.338 -8.509 1.00 0.00 N ATOM 498 CA PRO A 30 2.383 -14.656 -8.879 1.00 0.00 C ATOM 499 C PRO A 30 2.277 -14.057 -10.282 1.00 0.00 C ATOM 500 O PRO A 30 2.373 -14.775 -11.277 1.00 0.00 O ATOM 501 CB PRO A 30 3.469 -15.714 -8.765 1.00 0.00 C ATOM 502 CG PRO A 30 2.750 -17.053 -8.789 1.00 0.00 C ATOM 503 CD PRO A 30 1.270 -16.792 -8.562 1.00 0.00 C ATOM 0 HA PRO A 30 2.603 -13.806 -8.233 1.00 0.00 H new ATOM 0 HB2 PRO A 30 4.178 -15.636 -9.589 1.00 0.00 H new ATOM 0 HB3 PRO A 30 4.038 -15.592 -7.843 1.00 0.00 H new ATOM 0 HG2 PRO A 30 2.907 -17.553 -9.744 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.144 -17.712 -8.015 1.00 0.00 H new ATOM 0 HD2 PRO A 30 0.666 -17.208 -9.368 1.00 0.00 H new ATOM 0 HD3 PRO A 30 0.924 -17.251 -7.636 1.00 0.00 H new ATOM 511 N GLU A 31 2.080 -12.747 -10.319 1.00 0.00 N ATOM 512 CA GLU A 31 1.960 -12.043 -11.584 1.00 0.00 C ATOM 513 C GLU A 31 2.816 -10.775 -11.570 1.00 0.00 C ATOM 514 O GLU A 31 3.216 -10.305 -10.506 1.00 0.00 O ATOM 515 CB GLU A 31 0.497 -11.714 -11.892 1.00 0.00 C ATOM 516 CG GLU A 31 0.267 -11.598 -13.400 1.00 0.00 C ATOM 517 CD GLU A 31 0.732 -12.863 -14.124 1.00 0.00 C ATOM 518 OE1 GLU A 31 0.434 -13.959 -13.601 1.00 0.00 O ATOM 519 OE2 GLU A 31 1.375 -12.706 -15.185 1.00 0.00 O ATOM 0 H GLU A 31 2.001 -12.155 -9.492 1.00 0.00 H new ATOM 0 HA GLU A 31 2.326 -12.696 -12.376 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.148 -12.490 -11.481 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.221 -10.779 -11.405 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -0.791 -11.429 -13.598 1.00 0.00 H new ATOM 0 HG3 GLU A 31 0.806 -10.734 -13.788 1.00 0.00 H new ATOM 526 N PHE A 32 3.071 -10.258 -12.762 1.00 0.00 N ATOM 527 CA PHE A 32 3.872 -9.054 -12.900 1.00 0.00 C ATOM 528 C PHE A 32 3.165 -7.850 -12.274 1.00 0.00 C ATOM 529 O PHE A 32 2.397 -7.161 -12.942 1.00 0.00 O ATOM 530 CB PHE A 32 4.049 -8.804 -14.399 1.00 0.00 C ATOM 531 CG PHE A 32 4.684 -9.973 -15.155 1.00 0.00 C ATOM 532 CD1 PHE A 32 3.899 -10.950 -15.680 1.00 0.00 C ATOM 533 CD2 PHE A 32 6.035 -10.034 -15.301 1.00 0.00 C ATOM 534 CE1 PHE A 32 4.488 -12.035 -16.381 1.00 0.00 C ATOM 535 CE2 PHE A 32 6.625 -11.119 -16.002 1.00 0.00 C ATOM 536 CZ PHE A 32 5.839 -12.096 -16.528 1.00 0.00 C ATOM 0 H PHE A 32 2.737 -10.651 -13.642 1.00 0.00 H new ATOM 0 HA PHE A 32 4.828 -9.183 -12.393 1.00 0.00 H new ATOM 0 HB2 PHE A 32 3.075 -8.587 -14.838 1.00 0.00 H new ATOM 0 HB3 PHE A 32 4.666 -7.917 -14.538 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.826 -10.901 -15.564 1.00 0.00 H new ATOM 0 HD2 PHE A 32 6.659 -9.257 -14.884 1.00 0.00 H new ATOM 0 HE1 PHE A 32 3.864 -12.812 -16.797 1.00 0.00 H new ATOM 0 HE2 PHE A 32 7.698 -11.168 -16.117 1.00 0.00 H new ATOM 0 HZ PHE A 32 6.287 -12.920 -17.063 1.00 0.00 H new ATOM 546 N LEU A 33 3.450 -7.635 -10.998 1.00 0.00 N ATOM 547 CA LEU A 33 2.851 -6.526 -10.274 1.00 0.00 C ATOM 548 C LEU A 33 3.835 -5.356 -10.238 1.00 0.00 C ATOM 549 O LEU A 33 5.000 -5.530 -9.882 1.00 0.00 O ATOM 550 CB LEU A 33 2.384 -6.981 -8.890 1.00 0.00 C ATOM 551 CG LEU A 33 0.889 -6.828 -8.603 1.00 0.00 C ATOM 552 CD1 LEU A 33 0.054 -7.211 -9.827 1.00 0.00 C ATOM 553 CD2 LEU A 33 0.485 -7.625 -7.361 1.00 0.00 C ATOM 0 H LEU A 33 4.088 -8.210 -10.447 1.00 0.00 H new ATOM 0 HA LEU A 33 1.956 -6.174 -10.787 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.652 -8.030 -8.764 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.938 -6.418 -8.138 1.00 0.00 H new ATOM 0 HG LEU A 33 0.687 -5.778 -8.391 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.005 -7.093 -9.596 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.317 -6.564 -10.664 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.254 -8.249 -10.094 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.582 -7.499 -7.179 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.704 -8.681 -7.519 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.045 -7.263 -6.499 1.00 0.00 H new ATOM 565 N PRO A 34 3.318 -4.158 -10.621 1.00 0.00 N ATOM 566 CA PRO A 34 4.138 -2.958 -10.635 1.00 0.00 C ATOM 567 C PRO A 34 4.377 -2.440 -9.216 1.00 0.00 C ATOM 568 O PRO A 34 3.427 -2.168 -8.483 1.00 0.00 O ATOM 569 CB PRO A 34 3.378 -1.972 -11.508 1.00 0.00 C ATOM 570 CG PRO A 34 1.948 -2.485 -11.568 1.00 0.00 C ATOM 571 CD PRO A 34 1.944 -3.914 -11.049 1.00 0.00 C ATOM 0 HA PRO A 34 5.136 -3.136 -11.035 1.00 0.00 H new ATOM 0 HB2 PRO A 34 3.415 -0.968 -11.086 1.00 0.00 H new ATOM 0 HB3 PRO A 34 3.815 -1.916 -12.505 1.00 0.00 H new ATOM 0 HG2 PRO A 34 1.292 -1.858 -10.965 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.572 -2.449 -12.590 1.00 0.00 H new ATOM 0 HD2 PRO A 34 1.245 -4.032 -10.221 1.00 0.00 H new ATOM 0 HD3 PRO A 34 1.641 -4.616 -11.826 1.00 0.00 H new ATOM 579 N ALA A 35 5.650 -2.320 -8.870 1.00 0.00 N ATOM 580 CA ALA A 35 6.026 -1.839 -7.552 1.00 0.00 C ATOM 581 C ALA A 35 7.055 -0.716 -7.697 1.00 0.00 C ATOM 582 O ALA A 35 7.985 -0.821 -8.494 1.00 0.00 O ATOM 583 CB ALA A 35 6.551 -3.006 -6.713 1.00 0.00 C ATOM 0 H ALA A 35 6.435 -2.548 -9.480 1.00 0.00 H new ATOM 0 HA ALA A 35 5.160 -1.427 -7.033 1.00 0.00 H new ATOM 0 HB1 ALA A 35 6.833 -2.645 -5.724 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.773 -3.763 -6.615 1.00 0.00 H new ATOM 0 HB3 ALA A 35 7.422 -3.443 -7.202 1.00 0.00 H new ATOM 589 N PRO A 36 6.847 0.361 -6.893 1.00 0.00 N ATOM 590 CA PRO A 36 7.746 1.502 -6.924 1.00 0.00 C ATOM 591 C PRO A 36 9.063 1.183 -6.214 1.00 0.00 C ATOM 592 O PRO A 36 9.063 0.747 -5.064 1.00 0.00 O ATOM 593 CB PRO A 36 6.972 2.630 -6.261 1.00 0.00 C ATOM 594 CG PRO A 36 5.858 1.964 -5.470 1.00 0.00 C ATOM 595 CD PRO A 36 5.756 0.520 -5.936 1.00 0.00 C ATOM 0 HA PRO A 36 8.039 1.779 -7.937 1.00 0.00 H new ATOM 0 HB2 PRO A 36 7.619 3.216 -5.607 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.566 3.315 -7.005 1.00 0.00 H new ATOM 0 HG2 PRO A 36 6.070 2.007 -4.402 1.00 0.00 H new ATOM 0 HG3 PRO A 36 4.913 2.484 -5.628 1.00 0.00 H new ATOM 0 HD2 PRO A 36 5.857 -0.174 -5.101 1.00 0.00 H new ATOM 0 HD3 PRO A 36 4.790 0.321 -6.400 1.00 0.00 H new ATOM 603 N GLU A 37 10.155 1.412 -6.929 1.00 0.00 N ATOM 604 CA GLU A 37 11.476 1.153 -6.382 1.00 0.00 C ATOM 605 C GLU A 37 12.114 2.457 -5.899 1.00 0.00 C ATOM 606 O GLU A 37 12.467 3.316 -6.706 1.00 0.00 O ATOM 607 CB GLU A 37 12.368 0.454 -7.409 1.00 0.00 C ATOM 608 CG GLU A 37 13.497 -0.316 -6.721 1.00 0.00 C ATOM 609 CD GLU A 37 14.722 -0.422 -7.632 1.00 0.00 C ATOM 610 OE1 GLU A 37 15.105 0.627 -8.192 1.00 0.00 O ATOM 611 OE2 GLU A 37 15.248 -1.551 -7.746 1.00 0.00 O ATOM 0 H GLU A 37 10.152 1.774 -7.883 1.00 0.00 H new ATOM 0 HA GLU A 37 11.370 0.484 -5.528 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.769 -0.231 -8.010 1.00 0.00 H new ATOM 0 HB3 GLU A 37 12.790 1.192 -8.092 1.00 0.00 H new ATOM 0 HG2 GLU A 37 13.772 0.186 -5.793 1.00 0.00 H new ATOM 0 HG3 GLU A 37 13.151 -1.314 -6.453 1.00 0.00 H new ATOM 618 N ASP A 38 12.243 2.564 -4.585 1.00 0.00 N ATOM 619 CA ASP A 38 12.833 3.749 -3.985 1.00 0.00 C ATOM 620 C ASP A 38 12.089 4.991 -4.480 1.00 0.00 C ATOM 621 O ASP A 38 12.284 5.424 -5.615 1.00 0.00 O ATOM 622 CB ASP A 38 14.304 3.891 -4.378 1.00 0.00 C ATOM 623 CG ASP A 38 15.176 4.635 -3.364 1.00 0.00 C ATOM 624 OD1 ASP A 38 14.591 5.393 -2.560 1.00 0.00 O ATOM 625 OD2 ASP A 38 16.408 4.428 -3.414 1.00 0.00 O ATOM 0 H ASP A 38 11.949 1.850 -3.919 1.00 0.00 H new ATOM 0 HA ASP A 38 12.757 3.652 -2.902 1.00 0.00 H new ATOM 0 HB2 ASP A 38 14.721 2.896 -4.532 1.00 0.00 H new ATOM 0 HB3 ASP A 38 14.360 4.412 -5.334 1.00 0.00 H new ATOM 630 N VAL A 39 11.252 5.529 -3.605 1.00 0.00 N ATOM 631 CA VAL A 39 10.478 6.712 -3.940 1.00 0.00 C ATOM 632 C VAL A 39 10.997 7.901 -3.129 1.00 0.00 C ATOM 633 O VAL A 39 11.431 7.739 -1.990 1.00 0.00 O ATOM 634 CB VAL A 39 8.988 6.443 -3.720 1.00 0.00 C ATOM 635 CG1 VAL A 39 8.294 6.092 -5.037 1.00 0.00 C ATOM 636 CG2 VAL A 39 8.778 5.341 -2.679 1.00 0.00 C ATOM 0 H VAL A 39 11.093 5.167 -2.665 1.00 0.00 H new ATOM 0 HA VAL A 39 10.597 6.960 -4.995 1.00 0.00 H new ATOM 0 HB VAL A 39 8.535 7.357 -3.336 1.00 0.00 H new ATOM 0 HG11 VAL A 39 7.236 5.905 -4.852 1.00 0.00 H new ATOM 0 HG12 VAL A 39 8.400 6.921 -5.736 1.00 0.00 H new ATOM 0 HG13 VAL A 39 8.751 5.199 -5.462 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.710 5.169 -2.541 1.00 0.00 H new ATOM 0 HG22 VAL A 39 9.252 4.421 -3.022 1.00 0.00 H new ATOM 0 HG23 VAL A 39 9.222 5.646 -1.731 1.00 0.00 H new ATOM 646 N GLU A 40 10.934 9.071 -3.748 1.00 0.00 N ATOM 647 CA GLU A 40 11.392 10.287 -3.099 1.00 0.00 C ATOM 648 C GLU A 40 10.669 10.481 -1.764 1.00 0.00 C ATOM 649 O GLU A 40 9.662 9.825 -1.499 1.00 0.00 O ATOM 650 CB GLU A 40 11.198 11.502 -4.008 1.00 0.00 C ATOM 651 CG GLU A 40 11.728 12.775 -3.345 1.00 0.00 C ATOM 652 CD GLU A 40 11.889 13.900 -4.369 1.00 0.00 C ATOM 653 OE1 GLU A 40 10.868 14.567 -4.644 1.00 0.00 O ATOM 654 OE2 GLU A 40 13.029 14.068 -4.853 1.00 0.00 O ATOM 0 H GLU A 40 10.572 9.202 -4.693 1.00 0.00 H new ATOM 0 HA GLU A 40 12.460 10.189 -2.902 1.00 0.00 H new ATOM 0 HB2 GLU A 40 11.714 11.339 -4.954 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.140 11.622 -4.239 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.044 13.091 -2.557 1.00 0.00 H new ATOM 0 HG3 GLU A 40 12.688 12.570 -2.871 1.00 0.00 H new ATOM 661 N THR A 41 11.211 11.383 -0.959 1.00 0.00 N ATOM 662 CA THR A 41 10.630 11.671 0.341 1.00 0.00 C ATOM 663 C THR A 41 9.131 11.949 0.206 1.00 0.00 C ATOM 664 O THR A 41 8.331 11.460 1.001 1.00 0.00 O ATOM 665 CB THR A 41 11.410 12.831 0.961 1.00 0.00 C ATOM 666 OG1 THR A 41 12.440 12.195 1.713 1.00 0.00 O ATOM 667 CG2 THR A 41 10.596 13.590 2.012 1.00 0.00 C ATOM 0 H THR A 41 12.046 11.924 -1.182 1.00 0.00 H new ATOM 0 HA THR A 41 10.710 10.813 1.009 1.00 0.00 H new ATOM 0 HB THR A 41 11.720 13.520 0.175 1.00 0.00 H new ATOM 0 HG1 THR A 41 12.995 12.875 2.148 1.00 0.00 H new ATOM 0 HG21 THR A 41 11.197 14.403 2.420 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.697 13.999 1.550 1.00 0.00 H new ATOM 0 HG23 THR A 41 10.314 12.909 2.815 1.00 0.00 H new ATOM 675 N ASN A 42 8.797 12.735 -0.807 1.00 0.00 N ATOM 676 CA ASN A 42 7.409 13.085 -1.057 1.00 0.00 C ATOM 677 C ASN A 42 6.952 12.437 -2.365 1.00 0.00 C ATOM 678 O ASN A 42 6.393 13.107 -3.232 1.00 0.00 O ATOM 679 CB ASN A 42 7.239 14.599 -1.195 1.00 0.00 C ATOM 680 CG ASN A 42 7.269 15.281 0.175 1.00 0.00 C ATOM 681 OD1 ASN A 42 7.089 14.661 1.210 1.00 0.00 O ATOM 682 ND2 ASN A 42 7.505 16.589 0.122 1.00 0.00 N ATOM 0 H ASN A 42 9.464 13.139 -1.464 1.00 0.00 H new ATOM 0 HA ASN A 42 6.815 12.731 -0.215 1.00 0.00 H new ATOM 0 HB2 ASN A 42 8.033 15.002 -1.823 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.295 14.819 -1.694 1.00 0.00 H new ATOM 0 HD21 ASN A 42 7.544 17.135 0.982 1.00 0.00 H new ATOM 0 HD22 ASN A 42 7.647 17.046 -0.779 1.00 0.00 H new ATOM 689 N CYS A 43 7.206 11.140 -2.466 1.00 0.00 N ATOM 690 CA CYS A 43 6.827 10.394 -3.654 1.00 0.00 C ATOM 691 C CYS A 43 6.029 9.165 -3.215 1.00 0.00 C ATOM 692 O CYS A 43 5.058 8.785 -3.867 1.00 0.00 O ATOM 693 CB CYS A 43 8.047 10.012 -4.495 1.00 0.00 C ATOM 694 SG CYS A 43 8.358 11.100 -5.933 1.00 0.00 S ATOM 0 H CYS A 43 7.669 10.587 -1.745 1.00 0.00 H new ATOM 0 HA CYS A 43 6.206 11.019 -4.296 1.00 0.00 H new ATOM 0 HB2 CYS A 43 8.929 10.019 -3.854 1.00 0.00 H new ATOM 0 HB3 CYS A 43 7.920 8.990 -4.851 1.00 0.00 H new ATOM 0 HG CYS A 43 9.413 10.686 -6.570 1.00 0.00 H new ATOM 699 N GLU A 44 6.469 8.576 -2.112 1.00 0.00 N ATOM 700 CA GLU A 44 5.808 7.398 -1.578 1.00 0.00 C ATOM 701 C GLU A 44 4.300 7.477 -1.824 1.00 0.00 C ATOM 702 O GLU A 44 3.677 6.488 -2.206 1.00 0.00 O ATOM 703 CB GLU A 44 6.113 7.226 -0.089 1.00 0.00 C ATOM 704 CG GLU A 44 7.607 6.993 0.142 1.00 0.00 C ATOM 705 CD GLU A 44 8.335 8.314 0.397 1.00 0.00 C ATOM 706 OE1 GLU A 44 7.743 9.362 0.060 1.00 0.00 O ATOM 707 OE2 GLU A 44 9.466 8.246 0.924 1.00 0.00 O ATOM 0 H GLU A 44 7.275 8.893 -1.574 1.00 0.00 H new ATOM 0 HA GLU A 44 6.195 6.522 -2.098 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.791 8.113 0.456 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.545 6.385 0.307 1.00 0.00 H new ATOM 0 HG2 GLU A 44 7.747 6.326 0.993 1.00 0.00 H new ATOM 0 HG3 GLU A 44 8.040 6.497 -0.727 1.00 0.00 H new ATOM 714 N TRP A 45 3.758 8.664 -1.595 1.00 0.00 N ATOM 715 CA TRP A 45 2.334 8.886 -1.786 1.00 0.00 C ATOM 716 C TRP A 45 2.001 8.579 -3.248 1.00 0.00 C ATOM 717 O TRP A 45 1.198 7.691 -3.531 1.00 0.00 O ATOM 718 CB TRP A 45 1.939 10.304 -1.368 1.00 0.00 C ATOM 719 CG TRP A 45 1.838 10.501 0.145 1.00 0.00 C ATOM 720 CD1 TRP A 45 2.700 11.132 0.955 1.00 0.00 C ATOM 721 CD2 TRP A 45 0.775 10.036 1.004 1.00 0.00 C ATOM 722 NE1 TRP A 45 2.272 11.107 2.267 1.00 0.00 N ATOM 723 CE2 TRP A 45 1.064 10.420 2.297 1.00 0.00 C ATOM 724 CE3 TRP A 45 -0.393 9.315 0.697 1.00 0.00 C ATOM 725 CZ2 TRP A 45 0.235 10.128 3.387 1.00 0.00 C ATOM 726 CZ3 TRP A 45 -1.211 9.031 1.797 1.00 0.00 C ATOM 727 CH2 TRP A 45 -0.934 9.411 3.105 1.00 0.00 C ATOM 0 H TRP A 45 4.279 9.482 -1.279 1.00 0.00 H new ATOM 0 HA TRP A 45 1.751 8.222 -1.148 1.00 0.00 H new ATOM 0 HB2 TRP A 45 2.670 11.007 -1.768 1.00 0.00 H new ATOM 0 HB3 TRP A 45 0.979 10.551 -1.821 1.00 0.00 H new ATOM 0 HD1 TRP A 45 3.614 11.601 0.623 1.00 0.00 H new ATOM 0 HE1 TRP A 45 2.754 11.517 3.067 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -0.639 9.005 -0.308 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 0.484 10.439 4.391 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -2.121 8.478 1.617 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -1.618 9.154 3.901 1.00 0.00 H new ATOM 738 N SER A 46 2.633 9.330 -4.137 1.00 0.00 N ATOM 739 CA SER A 46 2.414 9.149 -5.561 1.00 0.00 C ATOM 740 C SER A 46 2.605 7.679 -5.938 1.00 0.00 C ATOM 741 O SER A 46 2.072 7.218 -6.946 1.00 0.00 O ATOM 742 CB SER A 46 3.355 10.034 -6.381 1.00 0.00 C ATOM 743 OG SER A 46 4.721 9.667 -6.204 1.00 0.00 O ATOM 0 H SER A 46 3.298 10.066 -3.898 1.00 0.00 H new ATOM 0 HA SER A 46 1.390 9.446 -5.789 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.094 9.961 -7.437 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.219 11.076 -6.090 1.00 0.00 H new ATOM 0 HG SER A 46 4.789 8.988 -5.501 1.00 0.00 H new ATOM 749 N ALA A 47 3.368 6.983 -5.108 1.00 0.00 N ATOM 750 CA ALA A 47 3.637 5.574 -5.341 1.00 0.00 C ATOM 751 C ALA A 47 2.441 4.746 -4.867 1.00 0.00 C ATOM 752 O ALA A 47 2.191 3.658 -5.383 1.00 0.00 O ATOM 753 CB ALA A 47 4.936 5.179 -4.636 1.00 0.00 C ATOM 0 H ALA A 47 3.809 7.369 -4.273 1.00 0.00 H new ATOM 0 HA ALA A 47 3.772 5.380 -6.405 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.138 4.122 -4.811 1.00 0.00 H new ATOM 0 HB2 ALA A 47 5.759 5.776 -5.029 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.838 5.357 -3.565 1.00 0.00 H new ATOM 759 N PHE A 48 1.734 5.293 -3.889 1.00 0.00 N ATOM 760 CA PHE A 48 0.570 4.618 -3.340 1.00 0.00 C ATOM 761 C PHE A 48 -0.373 4.157 -4.453 1.00 0.00 C ATOM 762 O PHE A 48 -0.973 3.087 -4.360 1.00 0.00 O ATOM 763 CB PHE A 48 -0.161 5.633 -2.458 1.00 0.00 C ATOM 764 CG PHE A 48 -1.318 5.039 -1.654 1.00 0.00 C ATOM 765 CD1 PHE A 48 -2.460 4.657 -2.286 1.00 0.00 C ATOM 766 CD2 PHE A 48 -1.206 4.892 -0.306 1.00 0.00 C ATOM 767 CE1 PHE A 48 -3.535 4.105 -1.540 1.00 0.00 C ATOM 768 CE2 PHE A 48 -2.281 4.340 0.440 1.00 0.00 C ATOM 769 CZ PHE A 48 -3.423 3.959 -0.192 1.00 0.00 C ATOM 0 H PHE A 48 1.945 6.195 -3.463 1.00 0.00 H new ATOM 0 HA PHE A 48 0.882 3.738 -2.777 1.00 0.00 H new ATOM 0 HB2 PHE A 48 0.554 6.082 -1.769 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -0.544 6.436 -3.087 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -2.549 4.774 -3.356 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -0.299 5.195 0.197 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -4.441 3.801 -2.043 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -2.191 4.223 1.510 1.00 0.00 H new ATOM 0 HZ PHE A 48 -4.241 3.541 0.376 1.00 0.00 H new ATOM 779 N SER A 49 -0.473 4.986 -5.482 1.00 0.00 N ATOM 780 CA SER A 49 -1.332 4.676 -6.612 1.00 0.00 C ATOM 781 C SER A 49 -0.880 3.372 -7.271 1.00 0.00 C ATOM 782 O SER A 49 -1.704 2.520 -7.599 1.00 0.00 O ATOM 783 CB SER A 49 -1.331 5.816 -7.633 1.00 0.00 C ATOM 784 OG SER A 49 -2.565 6.528 -7.640 1.00 0.00 O ATOM 0 H SER A 49 0.027 5.872 -5.557 1.00 0.00 H new ATOM 0 HA SER A 49 -2.351 4.555 -6.244 1.00 0.00 H new ATOM 0 HB2 SER A 49 -0.517 6.504 -7.407 1.00 0.00 H new ATOM 0 HB3 SER A 49 -1.140 5.412 -8.627 1.00 0.00 H new ATOM 0 HG SER A 49 -2.523 7.248 -8.303 1.00 0.00 H new ATOM 790 N CYS A 50 0.428 3.257 -7.445 1.00 0.00 N ATOM 791 CA CYS A 50 1.000 2.070 -8.059 1.00 0.00 C ATOM 792 C CYS A 50 0.341 0.840 -7.432 1.00 0.00 C ATOM 793 O CYS A 50 -0.364 0.096 -8.112 1.00 0.00 O ATOM 794 CB CYS A 50 2.523 2.037 -7.915 1.00 0.00 C ATOM 795 SG CYS A 50 3.387 3.518 -8.556 1.00 0.00 S ATOM 0 H CYS A 50 1.109 3.966 -7.172 1.00 0.00 H new ATOM 0 HA CYS A 50 0.802 2.080 -9.131 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.772 1.917 -6.861 1.00 0.00 H new ATOM 0 HB3 CYS A 50 2.904 1.158 -8.435 1.00 0.00 H new ATOM 0 HG CYS A 50 4.668 3.383 -8.381 1.00 0.00 H new ATOM 800 N PHE A 51 0.594 0.664 -6.144 1.00 0.00 N ATOM 801 CA PHE A 51 0.034 -0.463 -5.418 1.00 0.00 C ATOM 802 C PHE A 51 -1.482 -0.538 -5.608 1.00 0.00 C ATOM 803 O PHE A 51 -2.086 -1.590 -5.400 1.00 0.00 O ATOM 804 CB PHE A 51 0.340 -0.237 -3.936 1.00 0.00 C ATOM 805 CG PHE A 51 1.831 -0.094 -3.623 1.00 0.00 C ATOM 806 CD1 PHE A 51 2.590 -1.201 -3.407 1.00 0.00 C ATOM 807 CD2 PHE A 51 2.397 1.141 -3.562 1.00 0.00 C ATOM 808 CE1 PHE A 51 3.974 -1.068 -3.117 1.00 0.00 C ATOM 809 CE2 PHE A 51 3.781 1.274 -3.272 1.00 0.00 C ATOM 810 CZ PHE A 51 4.540 0.167 -3.055 1.00 0.00 C ATOM 0 H PHE A 51 1.180 1.283 -5.584 1.00 0.00 H new ATOM 0 HA PHE A 51 0.466 -1.394 -5.785 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.179 0.661 -3.601 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -0.063 -1.071 -3.361 1.00 0.00 H new ATOM 0 HD1 PHE A 51 2.140 -2.182 -3.456 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.794 2.020 -3.734 1.00 0.00 H new ATOM 0 HE1 PHE A 51 4.577 -1.948 -2.946 1.00 0.00 H new ATOM 0 HE2 PHE A 51 4.231 2.255 -3.224 1.00 0.00 H new ATOM 0 HZ PHE A 51 5.592 0.268 -2.833 1.00 0.00 H new ATOM 820 N GLN A 52 -2.054 0.590 -6.000 1.00 0.00 N ATOM 821 CA GLN A 52 -3.489 0.665 -6.221 1.00 0.00 C ATOM 822 C GLN A 52 -3.858 -0.007 -7.544 1.00 0.00 C ATOM 823 O GLN A 52 -4.866 -0.707 -7.629 1.00 0.00 O ATOM 824 CB GLN A 52 -3.973 2.116 -6.188 1.00 0.00 C ATOM 825 CG GLN A 52 -5.413 2.202 -5.678 1.00 0.00 C ATOM 826 CD GLN A 52 -6.327 2.849 -6.721 1.00 0.00 C ATOM 827 OE1 GLN A 52 -5.900 3.260 -7.788 1.00 0.00 O ATOM 828 NE2 GLN A 52 -7.603 2.916 -6.355 1.00 0.00 N ATOM 0 H GLN A 52 -1.550 1.460 -6.171 1.00 0.00 H new ATOM 0 HA GLN A 52 -3.990 0.131 -5.414 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -3.320 2.706 -5.545 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.911 2.547 -7.187 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -5.778 1.203 -5.439 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -5.442 2.781 -4.755 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -7.893 2.553 -5.447 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -8.292 3.331 -6.982 1.00 0.00 H new ATOM 837 N LYS A 53 -3.022 0.229 -8.545 1.00 0.00 N ATOM 838 CA LYS A 53 -3.249 -0.345 -9.860 1.00 0.00 C ATOM 839 C LYS A 53 -2.722 -1.781 -9.883 1.00 0.00 C ATOM 840 O LYS A 53 -3.167 -2.596 -10.690 1.00 0.00 O ATOM 841 CB LYS A 53 -2.645 0.549 -10.946 1.00 0.00 C ATOM 842 CG LYS A 53 -2.739 2.025 -10.556 1.00 0.00 C ATOM 843 CD LYS A 53 -4.166 2.395 -10.146 1.00 0.00 C ATOM 844 CE LYS A 53 -4.351 3.913 -10.109 1.00 0.00 C ATOM 845 NZ LYS A 53 -5.789 4.260 -10.083 1.00 0.00 N ATOM 0 H LYS A 53 -2.187 0.810 -8.471 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.316 -0.393 -10.076 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -1.602 0.277 -11.107 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -3.166 0.384 -11.889 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -2.055 2.231 -9.732 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.425 2.647 -11.394 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -4.875 1.956 -10.848 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.387 1.974 -9.165 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -3.856 4.324 -9.229 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.878 4.364 -10.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -5.903 5.281 -10.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -6.287 3.733 -10.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -6.190 4.010 -9.156 1.00 0.00 H new ATOM 859 N ALA A 54 -1.783 -2.047 -8.988 1.00 0.00 N ATOM 860 CA ALA A 54 -1.191 -3.371 -8.895 1.00 0.00 C ATOM 861 C ALA A 54 -2.304 -4.417 -8.811 1.00 0.00 C ATOM 862 O ALA A 54 -2.269 -5.423 -9.519 1.00 0.00 O ATOM 863 CB ALA A 54 -0.248 -3.425 -7.691 1.00 0.00 C ATOM 0 H ALA A 54 -1.417 -1.368 -8.320 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.599 -3.590 -9.783 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.196 -4.418 -7.621 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.541 -2.682 -7.813 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.808 -3.213 -6.780 1.00 0.00 H new ATOM 869 N GLN A 55 -3.265 -4.145 -7.941 1.00 0.00 N ATOM 870 CA GLN A 55 -4.386 -5.051 -7.756 1.00 0.00 C ATOM 871 C GLN A 55 -3.886 -6.438 -7.346 1.00 0.00 C ATOM 872 O GLN A 55 -3.307 -7.157 -8.159 1.00 0.00 O ATOM 873 CB GLN A 55 -5.242 -5.128 -9.021 1.00 0.00 C ATOM 874 CG GLN A 55 -6.334 -6.191 -8.880 1.00 0.00 C ATOM 875 CD GLN A 55 -6.961 -6.517 -10.237 1.00 0.00 C ATOM 876 OE1 GLN A 55 -6.282 -6.771 -11.218 1.00 0.00 O ATOM 877 NE2 GLN A 55 -8.291 -6.496 -10.238 1.00 0.00 N ATOM 0 H GLN A 55 -3.291 -3.310 -7.356 1.00 0.00 H new ATOM 0 HA GLN A 55 -5.014 -4.662 -6.955 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -5.698 -4.157 -9.216 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -4.610 -5.362 -9.878 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -5.911 -7.096 -8.444 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -7.105 -5.837 -8.195 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -8.798 -6.275 -9.381 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -8.804 -6.700 -11.096 1.00 0.00 H new ATOM 886 N LEU A 56 -4.127 -6.771 -6.087 1.00 0.00 N ATOM 887 CA LEU A 56 -3.708 -8.058 -5.560 1.00 0.00 C ATOM 888 C LEU A 56 -4.646 -9.148 -6.083 1.00 0.00 C ATOM 889 O LEU A 56 -5.846 -9.120 -5.814 1.00 0.00 O ATOM 890 CB LEU A 56 -3.615 -8.008 -4.034 1.00 0.00 C ATOM 891 CG LEU A 56 -3.109 -9.279 -3.350 1.00 0.00 C ATOM 892 CD1 LEU A 56 -4.236 -10.301 -3.187 1.00 0.00 C ATOM 893 CD2 LEU A 56 -1.909 -9.864 -4.099 1.00 0.00 C ATOM 0 H LEU A 56 -4.607 -6.171 -5.416 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.705 -8.304 -5.909 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.957 -7.184 -3.757 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.603 -7.775 -3.637 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.767 -9.015 -2.349 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.849 -11.195 -2.698 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.032 -9.871 -2.579 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.631 -10.566 -4.168 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.569 -10.767 -3.592 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.202 -10.109 -5.120 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.101 -9.133 -4.119 1.00 0.00 H new ATOM 905 N LYS A 57 -4.064 -10.082 -6.821 1.00 0.00 N ATOM 906 CA LYS A 57 -4.832 -11.178 -7.384 1.00 0.00 C ATOM 907 C LYS A 57 -4.466 -12.476 -6.661 1.00 0.00 C ATOM 908 O LYS A 57 -3.292 -12.832 -6.575 1.00 0.00 O ATOM 909 CB LYS A 57 -4.640 -11.244 -8.901 1.00 0.00 C ATOM 910 CG LYS A 57 -5.654 -12.195 -9.541 1.00 0.00 C ATOM 911 CD LYS A 57 -6.945 -11.457 -9.903 1.00 0.00 C ATOM 912 CE LYS A 57 -7.748 -12.238 -10.945 1.00 0.00 C ATOM 913 NZ LYS A 57 -8.213 -11.337 -12.023 1.00 0.00 N ATOM 0 H LYS A 57 -3.068 -10.102 -7.042 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.898 -11.015 -7.228 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.750 -10.248 -9.329 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.628 -11.579 -9.129 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -5.223 -12.642 -10.437 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -5.878 -13.010 -8.853 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -7.549 -11.312 -9.007 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -6.706 -10.467 -10.290 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -7.132 -13.032 -11.367 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -8.604 -12.717 -10.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -8.756 -11.883 -12.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -8.818 -10.594 -11.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -7.392 -10.899 -12.488 1.00 0.00 H new ATOM 927 N SER A 58 -5.493 -13.147 -6.161 1.00 0.00 N ATOM 928 CA SER A 58 -5.294 -14.398 -5.449 1.00 0.00 C ATOM 929 C SER A 58 -5.308 -15.569 -6.433 1.00 0.00 C ATOM 930 O SER A 58 -5.960 -15.502 -7.474 1.00 0.00 O ATOM 931 CB SER A 58 -6.364 -14.596 -4.373 1.00 0.00 C ATOM 932 OG SER A 58 -7.623 -14.060 -4.768 1.00 0.00 O ATOM 0 H SER A 58 -6.465 -12.848 -6.235 1.00 0.00 H new ATOM 0 HA SER A 58 -4.323 -14.359 -4.955 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.473 -15.660 -4.161 1.00 0.00 H new ATOM 0 HB3 SER A 58 -6.041 -14.119 -3.448 1.00 0.00 H new ATOM 0 HG SER A 58 -7.809 -14.312 -5.697 1.00 0.00 H new ATOM 938 N ALA A 59 -4.581 -16.615 -6.069 1.00 0.00 N ATOM 939 CA ALA A 59 -4.502 -17.800 -6.907 1.00 0.00 C ATOM 940 C ALA A 59 -5.910 -18.198 -7.354 1.00 0.00 C ATOM 941 O ALA A 59 -6.079 -18.836 -8.392 1.00 0.00 O ATOM 942 CB ALA A 59 -3.794 -18.920 -6.143 1.00 0.00 C ATOM 0 H ALA A 59 -4.041 -16.667 -5.205 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.917 -17.597 -7.804 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -3.735 -19.808 -6.772 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -2.788 -18.598 -5.875 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.354 -19.153 -5.237 1.00 0.00 H new ATOM 948 N ASN A 60 -6.885 -17.806 -6.547 1.00 0.00 N ATOM 949 CA ASN A 60 -8.273 -18.114 -6.846 1.00 0.00 C ATOM 950 C ASN A 60 -8.414 -19.616 -7.102 1.00 0.00 C ATOM 951 O ASN A 60 -8.606 -20.040 -8.241 1.00 0.00 O ATOM 952 CB ASN A 60 -8.744 -17.375 -8.101 1.00 0.00 C ATOM 953 CG ASN A 60 -8.556 -15.864 -7.949 1.00 0.00 C ATOM 954 OD1 ASN A 60 -8.654 -15.305 -6.869 1.00 0.00 O ATOM 955 ND2 ASN A 60 -8.283 -15.236 -9.089 1.00 0.00 N ATOM 0 H ASN A 60 -6.741 -17.278 -5.686 1.00 0.00 H new ATOM 0 HA ASN A 60 -8.878 -17.802 -5.995 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -8.186 -17.729 -8.967 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.795 -17.598 -8.286 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -8.142 -14.226 -9.094 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -8.215 -15.764 -9.959 1.00 0.00 H new ATOM 997 N ASN A 64 -8.967 -18.881 0.494 1.00 0.00 N ATOM 998 CA ASN A 64 -8.823 -17.517 0.974 1.00 0.00 C ATOM 999 C ASN A 64 -9.289 -16.546 -0.114 1.00 0.00 C ATOM 1000 O ASN A 64 -9.514 -15.368 0.156 1.00 0.00 O ATOM 1001 CB ASN A 64 -7.362 -17.198 1.297 1.00 0.00 C ATOM 1002 CG ASN A 64 -6.768 -18.246 2.241 1.00 0.00 C ATOM 1003 OD1 ASN A 64 -7.470 -19.017 2.874 1.00 0.00 O ATOM 1004 ND2 ASN A 64 -5.440 -18.230 2.299 1.00 0.00 N ATOM 0 HA ASN A 64 -9.424 -17.413 1.878 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -6.781 -17.163 0.375 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -7.294 -16.211 1.754 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.948 -18.891 2.901 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -4.913 -17.557 1.742 1.00 0.00 H new ATOM 1011 N GLU A 65 -9.420 -17.078 -1.320 1.00 0.00 N ATOM 1012 CA GLU A 65 -9.855 -16.274 -2.450 1.00 0.00 C ATOM 1013 C GLU A 65 -10.937 -15.285 -2.011 1.00 0.00 C ATOM 1014 O GLU A 65 -11.056 -14.199 -2.577 1.00 0.00 O ATOM 1015 CB GLU A 65 -10.352 -17.159 -3.594 1.00 0.00 C ATOM 1016 CG GLU A 65 -10.607 -16.333 -4.856 1.00 0.00 C ATOM 1017 CD GLU A 65 -11.925 -15.563 -4.751 1.00 0.00 C ATOM 1018 OE1 GLU A 65 -12.934 -16.211 -4.398 1.00 0.00 O ATOM 1019 OE2 GLU A 65 -11.894 -14.344 -5.026 1.00 0.00 O ATOM 0 H GLU A 65 -9.233 -18.056 -1.540 1.00 0.00 H new ATOM 0 HA GLU A 65 -9.000 -15.708 -2.819 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -9.615 -17.934 -3.805 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -11.270 -17.665 -3.295 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -9.785 -15.634 -5.010 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -10.634 -16.990 -5.725 1.00 0.00 H new ATOM 1026 N ARG A 66 -11.697 -15.695 -1.007 1.00 0.00 N ATOM 1027 CA ARG A 66 -12.765 -14.859 -0.486 1.00 0.00 C ATOM 1028 C ARG A 66 -12.216 -13.887 0.561 1.00 0.00 C ATOM 1029 O ARG A 66 -12.502 -12.692 0.514 1.00 0.00 O ATOM 1030 CB ARG A 66 -13.871 -15.707 0.145 1.00 0.00 C ATOM 1031 CG ARG A 66 -14.954 -14.822 0.764 1.00 0.00 C ATOM 1032 CD ARG A 66 -16.209 -14.797 -0.111 1.00 0.00 C ATOM 1033 NE ARG A 66 -17.114 -13.713 0.331 1.00 0.00 N ATOM 1034 CZ ARG A 66 -18.199 -13.316 -0.348 1.00 0.00 C ATOM 1035 NH1 ARG A 66 -18.520 -13.912 -1.504 1.00 0.00 N ATOM 1036 NH2 ARG A 66 -18.962 -12.323 0.129 1.00 0.00 N ATOM 0 H ARG A 66 -11.594 -16.596 -0.540 1.00 0.00 H new ATOM 0 HA ARG A 66 -13.185 -14.299 -1.322 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -14.314 -16.355 -0.611 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -13.445 -16.356 0.910 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -15.207 -15.192 1.758 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -14.573 -13.808 0.888 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -15.932 -14.647 -1.154 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -16.722 -15.757 -0.052 1.00 0.00 H new ATOM 0 HE ARG A 66 -16.898 -13.238 1.208 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -17.939 -14.668 -1.867 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -19.346 -13.610 -2.021 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -18.717 -11.869 1.009 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -19.788 -12.021 -0.388 1.00 0.00 H new ATOM 1050 N ILE A 67 -11.437 -14.437 1.481 1.00 0.00 N ATOM 1051 CA ILE A 67 -10.845 -13.634 2.537 1.00 0.00 C ATOM 1052 C ILE A 67 -9.877 -12.622 1.921 1.00 0.00 C ATOM 1053 O ILE A 67 -9.423 -11.701 2.598 1.00 0.00 O ATOM 1054 CB ILE A 67 -10.203 -14.532 3.597 1.00 0.00 C ATOM 1055 CG1 ILE A 67 -10.115 -13.813 4.944 1.00 0.00 C ATOM 1056 CG2 ILE A 67 -8.839 -15.043 3.129 1.00 0.00 C ATOM 1057 CD1 ILE A 67 -11.474 -13.238 5.349 1.00 0.00 C ATOM 0 H ILE A 67 -11.202 -15.429 1.517 1.00 0.00 H new ATOM 0 HA ILE A 67 -11.614 -13.064 3.058 1.00 0.00 H new ATOM 0 HB ILE A 67 -10.842 -15.404 3.739 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -9.768 -14.508 5.709 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -9.380 -13.010 4.884 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -8.404 -15.679 3.900 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -8.961 -15.618 2.211 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -8.178 -14.197 2.941 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -11.383 -12.732 6.310 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -11.807 -12.526 4.594 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -12.201 -14.046 5.431 1.00 0.00 H new ATOM 1069 N ILE A 68 -9.590 -12.827 0.644 1.00 0.00 N ATOM 1070 CA ILE A 68 -8.685 -11.943 -0.071 1.00 0.00 C ATOM 1071 C ILE A 68 -9.481 -10.784 -0.674 1.00 0.00 C ATOM 1072 O ILE A 68 -9.100 -9.623 -0.528 1.00 0.00 O ATOM 1073 CB ILE A 68 -7.869 -12.730 -1.099 1.00 0.00 C ATOM 1074 CG1 ILE A 68 -6.456 -13.007 -0.581 1.00 0.00 C ATOM 1075 CG2 ILE A 68 -7.854 -12.014 -2.451 1.00 0.00 C ATOM 1076 CD1 ILE A 68 -6.440 -14.227 0.342 1.00 0.00 C ATOM 0 H ILE A 68 -9.968 -13.592 0.086 1.00 0.00 H new ATOM 0 HA ILE A 68 -7.957 -11.507 0.614 1.00 0.00 H new ATOM 0 HB ILE A 68 -8.351 -13.696 -1.252 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -5.783 -13.174 -1.422 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -6.084 -12.135 -0.043 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -7.267 -12.594 -3.163 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -8.875 -11.911 -2.820 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -7.409 -11.026 -2.334 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.424 -14.402 0.696 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -7.095 -14.047 1.194 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -6.789 -15.102 -0.206 1.00 0.00 H new ATOM 1088 N ASN A 69 -10.571 -11.139 -1.338 1.00 0.00 N ATOM 1089 CA ASN A 69 -11.423 -10.143 -1.964 1.00 0.00 C ATOM 1090 C ASN A 69 -11.787 -9.070 -0.935 1.00 0.00 C ATOM 1091 O ASN A 69 -12.109 -7.940 -1.299 1.00 0.00 O ATOM 1092 CB ASN A 69 -12.723 -10.770 -2.472 1.00 0.00 C ATOM 1093 CG ASN A 69 -13.741 -9.693 -2.849 1.00 0.00 C ATOM 1094 OD1 ASN A 69 -13.605 -8.992 -3.838 1.00 0.00 O ATOM 1095 ND2 ASN A 69 -14.767 -9.601 -2.008 1.00 0.00 N ATOM 0 H ASN A 69 -10.884 -12.103 -1.456 1.00 0.00 H new ATOM 0 HA ASN A 69 -10.877 -9.713 -2.804 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -12.514 -11.397 -3.339 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -13.143 -11.419 -1.703 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -15.501 -8.912 -2.173 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -14.820 -10.219 -1.198 1.00 0.00 H new ATOM 1102 N VAL A 70 -11.723 -9.462 0.329 1.00 0.00 N ATOM 1103 CA VAL A 70 -12.041 -8.548 1.413 1.00 0.00 C ATOM 1104 C VAL A 70 -10.929 -7.506 1.538 1.00 0.00 C ATOM 1105 O VAL A 70 -11.187 -6.357 1.895 1.00 0.00 O ATOM 1106 CB VAL A 70 -12.275 -9.332 2.706 1.00 0.00 C ATOM 1107 CG1 VAL A 70 -13.135 -10.571 2.448 1.00 0.00 C ATOM 1108 CG2 VAL A 70 -10.947 -9.713 3.364 1.00 0.00 C ATOM 0 H VAL A 70 -11.456 -10.400 0.627 1.00 0.00 H new ATOM 0 HA VAL A 70 -12.966 -8.012 1.202 1.00 0.00 H new ATOM 0 HB VAL A 70 -12.817 -8.686 3.396 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -13.286 -11.110 3.383 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -14.101 -10.266 2.045 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -12.632 -11.221 1.732 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -11.142 -10.269 4.281 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -10.367 -10.332 2.680 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -10.386 -8.809 3.600 1.00 0.00 H new ATOM 1118 N SER A 71 -9.715 -7.943 1.238 1.00 0.00 N ATOM 1119 CA SER A 71 -8.562 -7.062 1.313 1.00 0.00 C ATOM 1120 C SER A 71 -8.510 -6.161 0.078 1.00 0.00 C ATOM 1121 O SER A 71 -8.340 -4.949 0.195 1.00 0.00 O ATOM 1122 CB SER A 71 -7.264 -7.862 1.441 1.00 0.00 C ATOM 1123 OG SER A 71 -7.247 -8.668 2.616 1.00 0.00 O ATOM 0 H SER A 71 -9.505 -8.896 0.942 1.00 0.00 H new ATOM 0 HA SER A 71 -8.664 -6.442 2.203 1.00 0.00 H new ATOM 0 HB2 SER A 71 -7.142 -8.497 0.564 1.00 0.00 H new ATOM 0 HB3 SER A 71 -6.416 -7.177 1.459 1.00 0.00 H new ATOM 0 HG SER A 71 -6.403 -9.164 2.660 1.00 0.00 H new ATOM 1129 N ILE A 72 -8.660 -6.789 -1.080 1.00 0.00 N ATOM 1130 CA ILE A 72 -8.633 -6.059 -2.336 1.00 0.00 C ATOM 1131 C ILE A 72 -9.458 -4.779 -2.195 1.00 0.00 C ATOM 1132 O ILE A 72 -8.973 -3.688 -2.490 1.00 0.00 O ATOM 1133 CB ILE A 72 -9.085 -6.959 -3.488 1.00 0.00 C ATOM 1134 CG1 ILE A 72 -8.132 -8.142 -3.667 1.00 0.00 C ATOM 1135 CG2 ILE A 72 -9.251 -6.155 -4.779 1.00 0.00 C ATOM 1136 CD1 ILE A 72 -8.523 -8.983 -4.884 1.00 0.00 C ATOM 0 H ILE A 72 -8.801 -7.795 -1.174 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.614 -5.756 -2.579 1.00 0.00 H new ATOM 0 HB ILE A 72 -10.063 -7.370 -3.237 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -7.112 -7.777 -3.786 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -8.146 -8.763 -2.772 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -9.573 -6.818 -5.582 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -9.999 -5.377 -4.629 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -8.299 -5.696 -5.047 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -7.829 -9.817 -4.988 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -9.535 -9.367 -4.751 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -8.484 -8.365 -5.781 1.00 0.00 H new ATOM 1148 N LYS A 73 -10.692 -4.954 -1.744 1.00 0.00 N ATOM 1149 CA LYS A 73 -11.589 -3.826 -1.561 1.00 0.00 C ATOM 1150 C LYS A 73 -10.836 -2.688 -0.870 1.00 0.00 C ATOM 1151 O LYS A 73 -10.559 -1.659 -1.485 1.00 0.00 O ATOM 1152 CB LYS A 73 -12.855 -4.264 -0.821 1.00 0.00 C ATOM 1153 CG LYS A 73 -14.037 -4.391 -1.784 1.00 0.00 C ATOM 1154 CD LYS A 73 -15.168 -5.211 -1.159 1.00 0.00 C ATOM 1155 CE LYS A 73 -16.118 -5.742 -2.234 1.00 0.00 C ATOM 1156 NZ LYS A 73 -17.000 -6.791 -1.674 1.00 0.00 N ATOM 0 H LYS A 73 -11.091 -5.860 -1.500 1.00 0.00 H new ATOM 0 HA LYS A 73 -11.926 -3.446 -2.526 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -12.679 -5.220 -0.327 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -13.093 -3.541 -0.041 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -14.405 -3.399 -2.047 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -13.708 -4.865 -2.709 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -14.749 -6.044 -0.595 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -15.722 -4.594 -0.452 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -16.721 -4.925 -2.631 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -15.544 -6.148 -3.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -17.479 -7.292 -2.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -16.431 -7.466 -1.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -17.710 -6.353 -1.054 1.00 0.00 H new ATOM 1170 N LYS A 74 -10.525 -2.910 0.398 1.00 0.00 N ATOM 1171 CA LYS A 74 -9.808 -1.916 1.179 1.00 0.00 C ATOM 1172 C LYS A 74 -8.520 -1.532 0.448 1.00 0.00 C ATOM 1173 O LYS A 74 -8.290 -0.358 0.163 1.00 0.00 O ATOM 1174 CB LYS A 74 -9.580 -2.417 2.606 1.00 0.00 C ATOM 1175 CG LYS A 74 -10.454 -1.652 3.602 1.00 0.00 C ATOM 1176 CD LYS A 74 -10.407 -2.304 4.986 1.00 0.00 C ATOM 1177 CE LYS A 74 -11.773 -2.233 5.672 1.00 0.00 C ATOM 1178 NZ LYS A 74 -12.565 -3.447 5.375 1.00 0.00 N ATOM 0 H LYS A 74 -10.756 -3.764 0.905 1.00 0.00 H new ATOM 0 HA LYS A 74 -10.402 -1.008 1.277 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -9.806 -3.482 2.662 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.530 -2.299 2.873 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -10.114 -0.619 3.671 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -11.483 -1.626 3.243 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -10.097 -3.345 4.891 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -9.660 -1.804 5.602 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -11.641 -2.132 6.749 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -12.312 -1.348 5.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -13.489 -3.383 5.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -12.707 -3.526 4.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -12.057 -4.286 5.720 1.00 0.00 H new ATOM 1192 N LEU A 75 -7.713 -2.544 0.167 1.00 0.00 N ATOM 1193 CA LEU A 75 -6.453 -2.328 -0.525 1.00 0.00 C ATOM 1194 C LEU A 75 -6.659 -1.300 -1.639 1.00 0.00 C ATOM 1195 O LEU A 75 -5.836 -0.405 -1.823 1.00 0.00 O ATOM 1196 CB LEU A 75 -5.874 -3.657 -1.012 1.00 0.00 C ATOM 1197 CG LEU A 75 -4.641 -3.562 -1.912 1.00 0.00 C ATOM 1198 CD1 LEU A 75 -3.408 -4.141 -1.216 1.00 0.00 C ATOM 1199 CD2 LEU A 75 -4.898 -4.224 -3.267 1.00 0.00 C ATOM 0 H LEU A 75 -7.907 -3.516 0.406 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.709 -1.915 0.156 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -5.618 -4.260 -0.141 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -6.653 -4.194 -1.553 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.438 -2.508 -2.102 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.546 -4.061 -1.878 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.214 -3.586 -0.298 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.585 -5.189 -0.975 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -4.005 -4.142 -3.887 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.141 -5.276 -3.118 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.731 -3.726 -3.763 1.00 0.00 H new ATOM 1211 N LYS A 76 -7.762 -1.464 -2.356 1.00 0.00 N ATOM 1212 CA LYS A 76 -8.086 -0.562 -3.448 1.00 0.00 C ATOM 1213 C LYS A 76 -8.579 0.768 -2.875 1.00 0.00 C ATOM 1214 O LYS A 76 -9.692 1.200 -3.171 1.00 0.00 O ATOM 1215 CB LYS A 76 -9.074 -1.222 -4.412 1.00 0.00 C ATOM 1216 CG LYS A 76 -8.379 -1.638 -5.710 1.00 0.00 C ATOM 1217 CD LYS A 76 -9.376 -2.254 -6.693 1.00 0.00 C ATOM 1218 CE LYS A 76 -8.734 -2.467 -8.065 1.00 0.00 C ATOM 1219 NZ LYS A 76 -9.619 -1.958 -9.136 1.00 0.00 N ATOM 0 H LYS A 76 -8.442 -2.208 -2.202 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.197 -0.344 -4.040 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -9.521 -2.096 -3.938 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.886 -0.530 -4.636 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -7.903 -0.770 -6.166 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.589 -2.356 -5.490 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.734 -3.207 -6.304 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -10.245 -1.603 -6.791 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -7.772 -1.956 -8.106 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -8.538 -3.528 -8.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -9.168 -2.110 -10.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.527 -2.464 -9.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -9.785 -0.941 -8.995 1.00 0.00 H new ATOM 1233 N ARG A 77 -7.727 1.380 -2.066 1.00 0.00 N ATOM 1234 CA ARG A 77 -8.063 2.652 -1.450 1.00 0.00 C ATOM 1235 C ARG A 77 -7.518 3.809 -2.291 1.00 0.00 C ATOM 1236 O ARG A 77 -6.592 3.627 -3.078 1.00 0.00 O ATOM 1237 CB ARG A 77 -7.490 2.746 -0.034 1.00 0.00 C ATOM 1238 CG ARG A 77 -8.590 2.570 1.015 1.00 0.00 C ATOM 1239 CD ARG A 77 -9.334 3.885 1.256 1.00 0.00 C ATOM 1240 NE ARG A 77 -10.048 3.833 2.551 1.00 0.00 N ATOM 1241 CZ ARG A 77 -11.227 3.223 2.735 1.00 0.00 C ATOM 1242 NH1 ARG A 77 -11.831 2.611 1.708 1.00 0.00 N ATOM 1243 NH2 ARG A 77 -11.801 3.227 3.945 1.00 0.00 N ATOM 0 H ARG A 77 -6.805 1.019 -1.823 1.00 0.00 H new ATOM 0 HA ARG A 77 -9.150 2.718 -1.395 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -6.725 1.982 0.104 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -7.004 3.712 0.102 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -9.293 1.806 0.685 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -8.153 2.219 1.950 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -8.629 4.717 1.253 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -10.043 4.065 0.448 1.00 0.00 H new ATOM 0 HE ARG A 77 -9.616 4.290 3.354 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -11.394 2.609 0.787 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -12.728 2.147 1.847 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -11.341 3.694 4.726 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -12.698 2.763 4.085 1.00 0.00 H new ATOM 1257 N LYS A 78 -8.118 4.974 -2.094 1.00 0.00 N ATOM 1258 CA LYS A 78 -7.705 6.161 -2.824 1.00 0.00 C ATOM 1259 C LYS A 78 -6.769 6.994 -1.947 1.00 0.00 C ATOM 1260 O LYS A 78 -6.907 7.008 -0.725 1.00 0.00 O ATOM 1261 CB LYS A 78 -8.927 6.933 -3.327 1.00 0.00 C ATOM 1262 CG LYS A 78 -9.741 7.492 -2.158 1.00 0.00 C ATOM 1263 CD LYS A 78 -9.977 8.995 -2.323 1.00 0.00 C ATOM 1264 CE LYS A 78 -11.343 9.269 -2.954 1.00 0.00 C ATOM 1265 NZ LYS A 78 -11.207 9.490 -4.411 1.00 0.00 N ATOM 0 H LYS A 78 -8.887 5.121 -1.440 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.143 5.884 -3.716 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -8.605 7.749 -3.974 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -9.554 6.276 -3.930 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -10.698 6.975 -2.097 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.216 7.303 -1.222 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -9.916 9.485 -1.351 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -9.192 9.424 -2.946 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -12.011 8.428 -2.769 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -11.796 10.144 -2.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -12.144 9.675 -4.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -10.587 10.307 -4.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -10.795 8.644 -4.853 1.00 0.00 H new ATOM 1279 N PRO A 79 -5.813 7.687 -2.622 1.00 0.00 N ATOM 1280 CA PRO A 79 -4.854 8.521 -1.918 1.00 0.00 C ATOM 1281 C PRO A 79 -5.506 9.820 -1.438 1.00 0.00 C ATOM 1282 O PRO A 79 -6.650 10.109 -1.783 1.00 0.00 O ATOM 1283 CB PRO A 79 -3.729 8.753 -2.912 1.00 0.00 C ATOM 1284 CG PRO A 79 -4.309 8.433 -4.280 1.00 0.00 C ATOM 1285 CD PRO A 79 -5.620 7.694 -4.069 1.00 0.00 C ATOM 0 HA PRO A 79 -4.474 8.051 -1.011 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -3.376 9.783 -2.869 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -2.874 8.114 -2.691 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -4.474 9.348 -4.848 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -3.614 7.821 -4.856 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -6.444 8.197 -4.576 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -5.572 6.680 -4.467 1.00 0.00 H new ATOM 1628 N LYS A 102 8.147 -4.656 -12.214 1.00 0.00 N ATOM 1629 CA LYS A 102 7.127 -5.339 -11.436 1.00 0.00 C ATOM 1630 C LYS A 102 7.768 -5.949 -10.188 1.00 0.00 C ATOM 1631 O LYS A 102 8.867 -5.560 -9.796 1.00 0.00 O ATOM 1632 CB LYS A 102 6.381 -6.354 -12.304 1.00 0.00 C ATOM 1633 CG LYS A 102 7.355 -7.339 -12.955 1.00 0.00 C ATOM 1634 CD LYS A 102 7.381 -8.667 -12.195 1.00 0.00 C ATOM 1635 CE LYS A 102 8.679 -8.816 -11.398 1.00 0.00 C ATOM 1636 NZ LYS A 102 9.851 -8.757 -12.299 1.00 0.00 N ATOM 0 HA LYS A 102 6.371 -4.632 -11.093 1.00 0.00 H new ATOM 0 HB2 LYS A 102 5.660 -6.899 -11.695 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.816 -5.832 -13.076 1.00 0.00 H new ATOM 0 HG2 LYS A 102 7.063 -7.514 -13.990 1.00 0.00 H new ATOM 0 HG3 LYS A 102 8.356 -6.907 -12.975 1.00 0.00 H new ATOM 0 HD2 LYS A 102 6.527 -8.721 -11.520 1.00 0.00 H new ATOM 0 HD3 LYS A 102 7.284 -9.495 -12.898 1.00 0.00 H new ATOM 0 HE2 LYS A 102 8.747 -8.025 -10.651 1.00 0.00 H new ATOM 0 HE3 LYS A 102 8.675 -9.763 -10.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 10.585 -9.409 -11.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 9.564 -9.032 -13.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 10.229 -7.788 -12.314 1.00 0.00 H new ATOM 1650 N LYS A 103 7.053 -6.896 -9.598 1.00 0.00 N ATOM 1651 CA LYS A 103 7.537 -7.564 -8.402 1.00 0.00 C ATOM 1652 C LYS A 103 6.529 -8.633 -7.976 1.00 0.00 C ATOM 1653 O LYS A 103 5.408 -8.670 -8.480 1.00 0.00 O ATOM 1654 CB LYS A 103 7.850 -6.542 -7.307 1.00 0.00 C ATOM 1655 CG LYS A 103 9.346 -6.523 -6.986 1.00 0.00 C ATOM 1656 CD LYS A 103 9.620 -5.755 -5.691 1.00 0.00 C ATOM 1657 CE LYS A 103 11.116 -5.493 -5.515 1.00 0.00 C ATOM 1658 NZ LYS A 103 11.417 -4.057 -5.711 1.00 0.00 N ATOM 0 H LYS A 103 6.142 -7.216 -9.926 1.00 0.00 H new ATOM 0 HA LYS A 103 8.477 -8.076 -8.606 1.00 0.00 H new ATOM 0 HB2 LYS A 103 7.531 -5.550 -7.628 1.00 0.00 H new ATOM 0 HB3 LYS A 103 7.284 -6.783 -6.407 1.00 0.00 H new ATOM 0 HG2 LYS A 103 9.714 -7.545 -6.892 1.00 0.00 H new ATOM 0 HG3 LYS A 103 9.892 -6.062 -7.809 1.00 0.00 H new ATOM 0 HD2 LYS A 103 9.081 -4.808 -5.705 1.00 0.00 H new ATOM 0 HD3 LYS A 103 9.244 -6.324 -4.840 1.00 0.00 H new ATOM 0 HE2 LYS A 103 11.431 -5.804 -4.519 1.00 0.00 H new ATOM 0 HE3 LYS A 103 11.682 -6.090 -6.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 12.437 -3.896 -5.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 11.135 -3.771 -6.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 10.891 -3.494 -5.013 1.00 0.00 H new ATOM 1672 N PRO A 104 6.976 -9.498 -7.026 1.00 0.00 N ATOM 1673 CA PRO A 104 6.125 -10.565 -6.526 1.00 0.00 C ATOM 1674 C PRO A 104 5.060 -10.016 -5.575 1.00 0.00 C ATOM 1675 O PRO A 104 5.084 -8.838 -5.222 1.00 0.00 O ATOM 1676 CB PRO A 104 7.074 -11.543 -5.854 1.00 0.00 C ATOM 1677 CG PRO A 104 8.356 -10.768 -5.595 1.00 0.00 C ATOM 1678 CD PRO A 104 8.297 -9.484 -6.406 1.00 0.00 C ATOM 0 HA PRO A 104 5.560 -11.059 -7.317 1.00 0.00 H new ATOM 0 HB2 PRO A 104 6.651 -11.921 -4.923 1.00 0.00 H new ATOM 0 HB3 PRO A 104 7.262 -12.406 -6.492 1.00 0.00 H new ATOM 0 HG2 PRO A 104 8.459 -10.544 -4.533 1.00 0.00 H new ATOM 0 HG3 PRO A 104 9.225 -11.361 -5.881 1.00 0.00 H new ATOM 0 HD2 PRO A 104 8.427 -8.608 -5.771 1.00 0.00 H new ATOM 0 HD3 PRO A 104 9.087 -9.453 -7.157 1.00 0.00 H new ATOM 1686 N PRO A 105 4.125 -10.920 -5.176 1.00 0.00 N ATOM 1687 CA PRO A 105 3.053 -10.539 -4.272 1.00 0.00 C ATOM 1688 C PRO A 105 3.571 -10.390 -2.840 1.00 0.00 C ATOM 1689 O PRO A 105 3.146 -9.493 -2.113 1.00 0.00 O ATOM 1690 CB PRO A 105 2.010 -11.635 -4.415 1.00 0.00 C ATOM 1691 CG PRO A 105 2.731 -12.819 -5.037 1.00 0.00 C ATOM 1692 CD PRO A 105 4.065 -12.324 -5.573 1.00 0.00 C ATOM 0 HA PRO A 105 2.625 -9.566 -4.513 1.00 0.00 H new ATOM 0 HB2 PRO A 105 1.587 -11.900 -3.446 1.00 0.00 H new ATOM 0 HB3 PRO A 105 1.183 -11.307 -5.045 1.00 0.00 H new ATOM 0 HG2 PRO A 105 2.885 -13.604 -4.297 1.00 0.00 H new ATOM 0 HG3 PRO A 105 2.134 -13.251 -5.840 1.00 0.00 H new ATOM 0 HD2 PRO A 105 4.896 -12.890 -5.152 1.00 0.00 H new ATOM 0 HD3 PRO A 105 4.122 -12.432 -6.656 1.00 0.00 H new ATOM 1700 N LYS A 106 4.480 -11.282 -2.477 1.00 0.00 N ATOM 1701 CA LYS A 106 5.060 -11.261 -1.145 1.00 0.00 C ATOM 1702 C LYS A 106 5.704 -9.896 -0.896 1.00 0.00 C ATOM 1703 O LYS A 106 5.460 -9.269 0.134 1.00 0.00 O ATOM 1704 CB LYS A 106 6.021 -12.438 -0.960 1.00 0.00 C ATOM 1705 CG LYS A 106 6.293 -12.695 0.523 1.00 0.00 C ATOM 1706 CD LYS A 106 7.679 -12.186 0.923 1.00 0.00 C ATOM 1707 CE LYS A 106 8.277 -13.044 2.040 1.00 0.00 C ATOM 1708 NZ LYS A 106 9.741 -12.844 2.120 1.00 0.00 N ATOM 0 H LYS A 106 4.830 -12.025 -3.082 1.00 0.00 H new ATOM 0 HA LYS A 106 4.285 -11.391 -0.390 1.00 0.00 H new ATOM 0 HB2 LYS A 106 5.598 -13.333 -1.416 1.00 0.00 H new ATOM 0 HB3 LYS A 106 6.959 -12.231 -1.475 1.00 0.00 H new ATOM 0 HG2 LYS A 106 5.532 -12.201 1.127 1.00 0.00 H new ATOM 0 HG3 LYS A 106 6.220 -13.763 0.730 1.00 0.00 H new ATOM 0 HD2 LYS A 106 8.339 -12.200 0.056 1.00 0.00 H new ATOM 0 HD3 LYS A 106 7.608 -11.150 1.254 1.00 0.00 H new ATOM 0 HE2 LYS A 106 7.816 -12.784 2.993 1.00 0.00 H new ATOM 0 HE3 LYS A 106 8.057 -14.096 1.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 10.131 -13.434 2.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 10.178 -13.114 1.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 9.944 -11.843 2.317 1.00 0.00 H new ATOM 1722 N GLU A 107 6.514 -9.475 -1.856 1.00 0.00 N ATOM 1723 CA GLU A 107 7.195 -8.196 -1.753 1.00 0.00 C ATOM 1724 C GLU A 107 6.198 -7.048 -1.927 1.00 0.00 C ATOM 1725 O GLU A 107 6.050 -6.210 -1.039 1.00 0.00 O ATOM 1726 CB GLU A 107 8.331 -8.095 -2.774 1.00 0.00 C ATOM 1727 CG GLU A 107 9.691 -8.293 -2.103 1.00 0.00 C ATOM 1728 CD GLU A 107 10.576 -9.233 -2.924 1.00 0.00 C ATOM 1729 OE1 GLU A 107 10.935 -8.833 -4.053 1.00 0.00 O ATOM 1730 OE2 GLU A 107 10.874 -10.330 -2.405 1.00 0.00 O ATOM 0 H GLU A 107 6.714 -9.997 -2.709 1.00 0.00 H new ATOM 0 HA GLU A 107 7.636 -8.121 -0.759 1.00 0.00 H new ATOM 0 HB2 GLU A 107 8.193 -8.846 -3.552 1.00 0.00 H new ATOM 0 HB3 GLU A 107 8.301 -7.121 -3.262 1.00 0.00 H new ATOM 0 HG2 GLU A 107 10.187 -7.329 -1.987 1.00 0.00 H new ATOM 0 HG3 GLU A 107 9.551 -8.702 -1.102 1.00 0.00 H new ATOM 1737 N PHE A 108 5.541 -7.047 -3.078 1.00 0.00 N ATOM 1738 CA PHE A 108 4.563 -6.016 -3.379 1.00 0.00 C ATOM 1739 C PHE A 108 3.763 -5.637 -2.131 1.00 0.00 C ATOM 1740 O PHE A 108 3.409 -4.474 -1.946 1.00 0.00 O ATOM 1741 CB PHE A 108 3.609 -6.597 -4.425 1.00 0.00 C ATOM 1742 CG PHE A 108 2.218 -5.960 -4.420 1.00 0.00 C ATOM 1743 CD1 PHE A 108 2.087 -4.610 -4.518 1.00 0.00 C ATOM 1744 CD2 PHE A 108 1.111 -6.745 -4.318 1.00 0.00 C ATOM 1745 CE1 PHE A 108 0.796 -4.019 -4.514 1.00 0.00 C ATOM 1746 CE2 PHE A 108 -0.180 -6.154 -4.313 1.00 0.00 C ATOM 1747 CZ PHE A 108 -0.310 -4.803 -4.411 1.00 0.00 C ATOM 0 H PHE A 108 5.667 -7.743 -3.813 1.00 0.00 H new ATOM 0 HA PHE A 108 5.067 -5.120 -3.740 1.00 0.00 H new ATOM 0 HB2 PHE A 108 4.051 -6.473 -5.414 1.00 0.00 H new ATOM 0 HB3 PHE A 108 3.507 -7.669 -4.254 1.00 0.00 H new ATOM 0 HD1 PHE A 108 2.965 -3.987 -4.599 1.00 0.00 H new ATOM 0 HD2 PHE A 108 1.214 -7.817 -4.241 1.00 0.00 H new ATOM 0 HE1 PHE A 108 0.693 -2.947 -4.593 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -1.059 -6.777 -4.231 1.00 0.00 H new ATOM 0 HZ PHE A 108 -1.292 -4.353 -4.407 1.00 0.00 H new ATOM 1757 N LEU A 109 3.501 -6.642 -1.308 1.00 0.00 N ATOM 1758 CA LEU A 109 2.750 -6.429 -0.082 1.00 0.00 C ATOM 1759 C LEU A 109 3.700 -5.947 1.016 1.00 0.00 C ATOM 1760 O LEU A 109 3.403 -4.982 1.719 1.00 0.00 O ATOM 1761 CB LEU A 109 1.966 -7.688 0.291 1.00 0.00 C ATOM 1762 CG LEU A 109 0.601 -7.852 -0.380 1.00 0.00 C ATOM 1763 CD1 LEU A 109 -0.186 -6.541 -0.351 1.00 0.00 C ATOM 1764 CD2 LEU A 109 0.751 -8.399 -1.801 1.00 0.00 C ATOM 0 H LEU A 109 3.795 -7.606 -1.466 1.00 0.00 H new ATOM 0 HA LEU A 109 2.004 -5.647 -0.223 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.576 -8.558 0.046 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.821 -7.695 1.371 1.00 0.00 H new ATOM 0 HG LEU A 109 0.027 -8.584 0.188 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.152 -6.686 -0.834 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -0.340 -6.232 0.683 1.00 0.00 H new ATOM 0 HD13 LEU A 109 0.373 -5.769 -0.881 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -0.234 -8.506 -2.255 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.352 -7.710 -2.395 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.242 -9.371 -1.767 1.00 0.00 H new ATOM 1776 N GLU A 110 4.822 -6.642 1.130 1.00 0.00 N ATOM 1777 CA GLU A 110 5.817 -6.297 2.131 1.00 0.00 C ATOM 1778 C GLU A 110 6.365 -4.892 1.873 1.00 0.00 C ATOM 1779 O GLU A 110 6.967 -4.285 2.757 1.00 0.00 O ATOM 1780 CB GLU A 110 6.946 -7.329 2.160 1.00 0.00 C ATOM 1781 CG GLU A 110 6.818 -8.248 3.376 1.00 0.00 C ATOM 1782 CD GLU A 110 8.049 -8.139 4.279 1.00 0.00 C ATOM 1783 OE1 GLU A 110 8.336 -7.002 4.712 1.00 0.00 O ATOM 1784 OE2 GLU A 110 8.675 -9.194 4.515 1.00 0.00 O ATOM 0 H GLU A 110 5.064 -7.442 0.546 1.00 0.00 H new ATOM 0 HA GLU A 110 5.337 -6.304 3.110 1.00 0.00 H new ATOM 0 HB2 GLU A 110 6.924 -7.923 1.247 1.00 0.00 H new ATOM 0 HB3 GLU A 110 7.909 -6.819 2.185 1.00 0.00 H new ATOM 0 HG2 GLU A 110 5.924 -7.986 3.941 1.00 0.00 H new ATOM 0 HG3 GLU A 110 6.695 -9.279 3.045 1.00 0.00 H new ATOM 1791 N ARG A 111 6.136 -4.416 0.658 1.00 0.00 N ATOM 1792 CA ARG A 111 6.600 -3.094 0.273 1.00 0.00 C ATOM 1793 C ARG A 111 5.495 -2.059 0.496 1.00 0.00 C ATOM 1794 O ARG A 111 5.742 -0.996 1.064 1.00 0.00 O ATOM 1795 CB ARG A 111 7.026 -3.066 -1.197 1.00 0.00 C ATOM 1796 CG ARG A 111 8.508 -3.415 -1.344 1.00 0.00 C ATOM 1797 CD ARG A 111 9.355 -2.152 -1.516 1.00 0.00 C ATOM 1798 NE ARG A 111 10.486 -2.167 -0.562 1.00 0.00 N ATOM 1799 CZ ARG A 111 11.244 -1.099 -0.278 1.00 0.00 C ATOM 1800 NH1 ARG A 111 10.996 0.075 -0.874 1.00 0.00 N ATOM 1801 NH2 ARG A 111 12.249 -1.206 0.601 1.00 0.00 N ATOM 0 H ARG A 111 5.635 -4.922 -0.073 1.00 0.00 H new ATOM 0 HA ARG A 111 7.462 -2.851 0.894 1.00 0.00 H new ATOM 0 HB2 ARG A 111 6.424 -3.773 -1.768 1.00 0.00 H new ATOM 0 HB3 ARG A 111 6.838 -2.077 -1.615 1.00 0.00 H new ATOM 0 HG2 ARG A 111 8.844 -3.966 -0.466 1.00 0.00 H new ATOM 0 HG3 ARG A 111 8.647 -4.070 -2.204 1.00 0.00 H new ATOM 0 HD2 ARG A 111 9.731 -2.093 -2.537 1.00 0.00 H new ATOM 0 HD3 ARG A 111 8.741 -1.267 -1.351 1.00 0.00 H new ATOM 0 HE ARG A 111 10.702 -3.045 -0.091 1.00 0.00 H new ATOM 0 HH11 ARG A 111 10.231 0.155 -1.543 1.00 0.00 H new ATOM 0 HH12 ARG A 111 11.573 0.888 -0.658 1.00 0.00 H new ATOM 0 HH21 ARG A 111 12.437 -2.100 1.054 1.00 0.00 H new ATOM 0 HH22 ARG A 111 12.826 -0.393 0.817 1.00 0.00 H new ATOM 1815 N PHE A 112 4.302 -2.406 0.038 1.00 0.00 N ATOM 1816 CA PHE A 112 3.159 -1.520 0.180 1.00 0.00 C ATOM 1817 C PHE A 112 2.895 -1.197 1.652 1.00 0.00 C ATOM 1818 O PHE A 112 2.925 -0.034 2.052 1.00 0.00 O ATOM 1819 CB PHE A 112 1.947 -2.257 -0.393 1.00 0.00 C ATOM 1820 CG PHE A 112 0.728 -1.363 -0.627 1.00 0.00 C ATOM 1821 CD1 PHE A 112 0.793 -0.035 -0.338 1.00 0.00 C ATOM 1822 CD2 PHE A 112 -0.421 -1.895 -1.123 1.00 0.00 C ATOM 1823 CE1 PHE A 112 -0.339 0.795 -0.555 1.00 0.00 C ATOM 1824 CE2 PHE A 112 -1.553 -1.065 -1.340 1.00 0.00 C ATOM 1825 CZ PHE A 112 -1.488 0.262 -1.051 1.00 0.00 C ATOM 0 H PHE A 112 4.102 -3.289 -0.432 1.00 0.00 H new ATOM 0 HA PHE A 112 3.349 -0.582 -0.342 1.00 0.00 H new ATOM 0 HB2 PHE A 112 2.230 -2.722 -1.337 1.00 0.00 H new ATOM 0 HB3 PHE A 112 1.669 -3.062 0.288 1.00 0.00 H new ATOM 0 HD1 PHE A 112 1.705 0.388 0.056 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -0.473 -2.949 -1.352 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -0.287 1.849 -0.326 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -2.465 -1.488 -1.734 1.00 0.00 H new ATOM 0 HZ PHE A 112 -2.349 0.893 -1.215 1.00 0.00 H new ATOM 1835 N LYS A 113 2.643 -2.248 2.419 1.00 0.00 N ATOM 1836 CA LYS A 113 2.374 -2.092 3.838 1.00 0.00 C ATOM 1837 C LYS A 113 3.458 -1.212 4.464 1.00 0.00 C ATOM 1838 O LYS A 113 3.159 -0.327 5.265 1.00 0.00 O ATOM 1839 CB LYS A 113 2.227 -3.459 4.510 1.00 0.00 C ATOM 1840 CG LYS A 113 2.418 -3.349 6.024 1.00 0.00 C ATOM 1841 CD LYS A 113 3.625 -4.168 6.485 1.00 0.00 C ATOM 1842 CE LYS A 113 4.498 -3.362 7.450 1.00 0.00 C ATOM 1843 NZ LYS A 113 5.277 -4.268 8.324 1.00 0.00 N ATOM 0 H LYS A 113 2.620 -3.211 2.084 1.00 0.00 H new ATOM 0 HA LYS A 113 1.422 -1.584 3.991 1.00 0.00 H new ATOM 0 HB2 LYS A 113 1.241 -3.871 4.293 1.00 0.00 H new ATOM 0 HB3 LYS A 113 2.960 -4.152 4.097 1.00 0.00 H new ATOM 0 HG2 LYS A 113 2.556 -2.304 6.302 1.00 0.00 H new ATOM 0 HG3 LYS A 113 1.520 -3.699 6.534 1.00 0.00 H new ATOM 0 HD2 LYS A 113 3.284 -5.081 6.973 1.00 0.00 H new ATOM 0 HD3 LYS A 113 4.216 -4.470 5.620 1.00 0.00 H new ATOM 0 HE2 LYS A 113 5.175 -2.719 6.887 1.00 0.00 H new ATOM 0 HE3 LYS A 113 3.871 -2.710 8.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 5.864 -3.705 8.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 4.626 -4.864 8.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 5.889 -4.873 7.740 1.00 0.00 H new ATOM 1857 N SER A 114 4.695 -1.486 4.076 1.00 0.00 N ATOM 1858 CA SER A 114 5.825 -0.731 4.589 1.00 0.00 C ATOM 1859 C SER A 114 5.699 0.739 4.185 1.00 0.00 C ATOM 1860 O SER A 114 5.800 1.629 5.028 1.00 0.00 O ATOM 1861 CB SER A 114 7.149 -1.309 4.084 1.00 0.00 C ATOM 1862 OG SER A 114 8.144 -1.333 5.104 1.00 0.00 O ATOM 0 H SER A 114 4.939 -2.221 3.412 1.00 0.00 H new ATOM 0 HA SER A 114 5.819 -0.804 5.677 1.00 0.00 H new ATOM 0 HB2 SER A 114 6.985 -2.321 3.713 1.00 0.00 H new ATOM 0 HB3 SER A 114 7.506 -0.715 3.243 1.00 0.00 H new ATOM 0 HG SER A 114 8.973 -1.710 4.743 1.00 0.00 H new ATOM 1868 N LEU A 115 5.481 0.948 2.895 1.00 0.00 N ATOM 1869 CA LEU A 115 5.340 2.295 2.368 1.00 0.00 C ATOM 1870 C LEU A 115 4.312 3.060 3.204 1.00 0.00 C ATOM 1871 O LEU A 115 4.441 4.267 3.401 1.00 0.00 O ATOM 1872 CB LEU A 115 5.011 2.255 0.875 1.00 0.00 C ATOM 1873 CG LEU A 115 5.162 3.576 0.119 1.00 0.00 C ATOM 1874 CD1 LEU A 115 4.027 4.541 0.468 1.00 0.00 C ATOM 1875 CD2 LEU A 115 6.538 4.197 0.369 1.00 0.00 C ATOM 0 H LEU A 115 5.399 0.207 2.199 1.00 0.00 H new ATOM 0 HA LEU A 115 6.283 2.836 2.448 1.00 0.00 H new ATOM 0 HB2 LEU A 115 5.654 1.513 0.401 1.00 0.00 H new ATOM 0 HB3 LEU A 115 3.984 1.908 0.759 1.00 0.00 H new ATOM 0 HG LEU A 115 5.091 3.368 -0.949 1.00 0.00 H new ATOM 0 HD11 LEU A 115 4.159 5.472 -0.083 1.00 0.00 H new ATOM 0 HD12 LEU A 115 3.071 4.092 0.198 1.00 0.00 H new ATOM 0 HD13 LEU A 115 4.041 4.748 1.538 1.00 0.00 H new ATOM 0 HD21 LEU A 115 6.619 5.135 -0.180 1.00 0.00 H new ATOM 0 HD22 LEU A 115 6.663 4.388 1.435 1.00 0.00 H new ATOM 0 HD23 LEU A 115 7.314 3.510 0.031 1.00 0.00 H new ATOM 1887 N LEU A 116 3.314 2.326 3.674 1.00 0.00 N ATOM 1888 CA LEU A 116 2.265 2.920 4.484 1.00 0.00 C ATOM 1889 C LEU A 116 2.772 3.100 5.916 1.00 0.00 C ATOM 1890 O LEU A 116 2.690 4.193 6.475 1.00 0.00 O ATOM 1891 CB LEU A 116 0.980 2.094 4.387 1.00 0.00 C ATOM 1892 CG LEU A 116 0.588 1.627 2.983 1.00 0.00 C ATOM 1893 CD1 LEU A 116 0.014 0.210 3.018 1.00 0.00 C ATOM 1894 CD2 LEU A 116 -0.372 2.619 2.324 1.00 0.00 C ATOM 0 H LEU A 116 3.210 1.325 3.509 1.00 0.00 H new ATOM 0 HA LEU A 116 2.010 3.911 4.108 1.00 0.00 H new ATOM 0 HB2 LEU A 116 1.087 1.216 5.024 1.00 0.00 H new ATOM 0 HB3 LEU A 116 0.160 2.685 4.794 1.00 0.00 H new ATOM 0 HG LEU A 116 1.488 1.594 2.369 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -0.257 -0.098 2.008 1.00 0.00 H new ATOM 0 HD12 LEU A 116 0.761 -0.475 3.419 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -0.872 0.192 3.652 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -0.635 2.264 1.328 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -1.275 2.707 2.928 1.00 0.00 H new ATOM 0 HD23 LEU A 116 0.109 3.594 2.246 1.00 0.00 H new ATOM 1906 N GLN A 117 3.286 2.011 6.470 1.00 0.00 N ATOM 1907 CA GLN A 117 3.807 2.036 7.826 1.00 0.00 C ATOM 1908 C GLN A 117 5.064 2.905 7.896 1.00 0.00 C ATOM 1909 O GLN A 117 5.603 3.137 8.977 1.00 0.00 O ATOM 1910 CB GLN A 117 4.091 0.619 8.330 1.00 0.00 C ATOM 1911 CG GLN A 117 5.492 0.162 7.919 1.00 0.00 C ATOM 1912 CD GLN A 117 6.491 0.364 9.060 1.00 0.00 C ATOM 1913 OE1 GLN A 117 6.149 0.790 10.151 1.00 0.00 O ATOM 1914 NE2 GLN A 117 7.742 0.034 8.749 1.00 0.00 N ATOM 0 H GLN A 117 3.353 1.106 6.004 1.00 0.00 H new ATOM 0 HA GLN A 117 3.050 2.473 8.477 1.00 0.00 H new ATOM 0 HB2 GLN A 117 3.999 0.590 9.416 1.00 0.00 H new ATOM 0 HB3 GLN A 117 3.347 -0.070 7.929 1.00 0.00 H new ATOM 0 HG2 GLN A 117 5.467 -0.890 7.635 1.00 0.00 H new ATOM 0 HG3 GLN A 117 5.818 0.721 7.042 1.00 0.00 H new ATOM 0 HE21 GLN A 117 7.960 -0.317 7.816 1.00 0.00 H new ATOM 0 HE22 GLN A 117 8.483 0.132 9.443 1.00 0.00 H new ATOM 1923 N LYS A 118 5.494 3.363 6.730 1.00 0.00 N ATOM 1924 CA LYS A 118 6.677 4.202 6.645 1.00 0.00 C ATOM 1925 C LYS A 118 6.252 5.669 6.563 1.00 0.00 C ATOM 1926 O LYS A 118 6.419 6.422 7.521 1.00 0.00 O ATOM 1927 CB LYS A 118 7.570 3.754 5.486 1.00 0.00 C ATOM 1928 CG LYS A 118 8.468 2.588 5.904 1.00 0.00 C ATOM 1929 CD LYS A 118 9.642 2.426 4.937 1.00 0.00 C ATOM 1930 CE LYS A 118 10.971 2.730 5.631 1.00 0.00 C ATOM 1931 NZ LYS A 118 12.104 2.488 4.711 1.00 0.00 N ATOM 0 H LYS A 118 5.044 3.169 5.835 1.00 0.00 H new ATOM 0 HA LYS A 118 7.284 4.096 7.544 1.00 0.00 H new ATOM 0 HB2 LYS A 118 6.951 3.456 4.640 1.00 0.00 H new ATOM 0 HB3 LYS A 118 8.185 4.590 5.152 1.00 0.00 H new ATOM 0 HG2 LYS A 118 8.844 2.758 6.913 1.00 0.00 H new ATOM 0 HG3 LYS A 118 7.885 1.667 5.932 1.00 0.00 H new ATOM 0 HD2 LYS A 118 9.657 1.409 4.545 1.00 0.00 H new ATOM 0 HD3 LYS A 118 9.511 3.094 4.086 1.00 0.00 H new ATOM 0 HE2 LYS A 118 10.983 3.767 5.968 1.00 0.00 H new ATOM 0 HE3 LYS A 118 11.076 2.106 6.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 12.998 2.699 5.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 12.100 1.492 4.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 12.011 3.102 3.877 1.00 0.00 H new ATOM 1945 N MET A 119 5.711 6.031 5.409 1.00 0.00 N ATOM 1946 CA MET A 119 5.261 7.395 5.188 1.00 0.00 C ATOM 1947 C MET A 119 3.928 7.653 5.894 1.00 0.00 C ATOM 1948 O MET A 119 3.876 8.383 6.882 1.00 0.00 O ATOM 1949 CB MET A 119 5.101 7.644 3.687 1.00 0.00 C ATOM 1950 CG MET A 119 6.114 8.678 3.192 1.00 0.00 C ATOM 1951 SD MET A 119 5.305 10.246 2.923 1.00 0.00 S ATOM 1952 CE MET A 119 6.696 11.349 3.113 1.00 0.00 C ATOM 0 H MET A 119 5.574 5.403 4.617 1.00 0.00 H new ATOM 0 HA MET A 119 6.007 8.075 5.600 1.00 0.00 H new ATOM 0 HB2 MET A 119 5.235 6.709 3.143 1.00 0.00 H new ATOM 0 HB3 MET A 119 4.089 7.992 3.478 1.00 0.00 H new ATOM 0 HG2 MET A 119 6.915 8.793 3.923 1.00 0.00 H new ATOM 0 HG3 MET A 119 6.575 8.334 2.266 1.00 0.00 H new ATOM 0 HE1 MET A 119 6.625 12.154 2.381 1.00 0.00 H new ATOM 0 HE2 MET A 119 6.691 11.771 4.118 1.00 0.00 H new ATOM 0 HE3 MET A 119 7.622 10.797 2.956 1.00 0.00 H new ATOM 1962 N ILE A 120 2.883 7.040 5.358 1.00 0.00 N ATOM 1963 CA ILE A 120 1.554 7.193 5.924 1.00 0.00 C ATOM 1964 C ILE A 120 1.654 7.221 7.450 1.00 0.00 C ATOM 1965 O ILE A 120 1.063 8.083 8.099 1.00 0.00 O ATOM 1966 CB ILE A 120 0.615 6.111 5.388 1.00 0.00 C ATOM 1967 CG1 ILE A 120 0.086 6.481 4.001 1.00 0.00 C ATOM 1968 CG2 ILE A 120 -0.519 5.829 6.377 1.00 0.00 C ATOM 1969 CD1 ILE A 120 1.230 6.889 3.069 1.00 0.00 C ATOM 0 H ILE A 120 2.930 6.436 4.537 1.00 0.00 H new ATOM 0 HA ILE A 120 1.116 8.142 5.616 1.00 0.00 H new ATOM 0 HB ILE A 120 1.185 5.188 5.280 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -0.451 5.634 3.575 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -0.628 7.300 4.087 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -1.172 5.056 5.971 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -0.100 5.489 7.324 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -1.094 6.740 6.541 1.00 0.00 H new ATOM 0 HD11 ILE A 120 0.827 7.147 2.090 1.00 0.00 H new ATOM 0 HD12 ILE A 120 1.749 7.752 3.486 1.00 0.00 H new ATOM 0 HD13 ILE A 120 1.929 6.059 2.966 1.00 0.00 H new ATOM 1981 N HIS A 121 2.405 6.266 7.979 1.00 0.00 N ATOM 1982 CA HIS A 121 2.590 6.170 9.417 1.00 0.00 C ATOM 1983 C HIS A 121 3.350 7.398 9.920 1.00 0.00 C ATOM 1984 O HIS A 121 2.762 8.290 10.531 1.00 0.00 O ATOM 1985 CB HIS A 121 3.276 4.854 9.789 1.00 0.00 C ATOM 1986 CG HIS A 121 3.564 4.707 11.265 1.00 0.00 C ATOM 1987 ND1 HIS A 121 3.219 5.672 12.195 1.00 0.00 N ATOM 1988 CD2 HIS A 121 4.166 3.700 11.960 1.00 0.00 C ATOM 1989 CE1 HIS A 121 3.602 5.254 13.393 1.00 0.00 C ATOM 1990 NE2 HIS A 121 4.189 4.032 13.245 1.00 0.00 N ATOM 0 H HIS A 121 2.892 5.552 7.438 1.00 0.00 H new ATOM 0 HA HIS A 121 1.619 6.159 9.913 1.00 0.00 H new ATOM 0 HB2 HIS A 121 2.646 4.024 9.468 1.00 0.00 H new ATOM 0 HB3 HIS A 121 4.213 4.776 9.237 1.00 0.00 H new ATOM 0 HD2 HIS A 121 4.558 2.787 11.537 1.00 0.00 H new ATOM 0 HE1 HIS A 121 3.472 5.787 14.323 1.00 0.00 H new ATOM 0 HE2 HIS A 121 4.581 3.466 13.998 1.00 0.00 H new ATOM 1998 N GLN A 122 4.646 7.406 9.645 1.00 0.00 N ATOM 1999 CA GLN A 122 5.493 8.510 10.062 1.00 0.00 C ATOM 2000 C GLN A 122 4.768 9.842 9.858 1.00 0.00 C ATOM 2001 O GLN A 122 5.019 10.807 10.578 1.00 0.00 O ATOM 2002 CB GLN A 122 6.827 8.491 9.314 1.00 0.00 C ATOM 2003 CG GLN A 122 6.671 9.056 7.900 1.00 0.00 C ATOM 2004 CD GLN A 122 7.983 8.951 7.120 1.00 0.00 C ATOM 2005 OE1 GLN A 122 8.489 9.917 6.574 1.00 0.00 O ATOM 2006 NE2 GLN A 122 8.502 7.727 7.097 1.00 0.00 N ATOM 0 H GLN A 122 5.130 6.665 9.138 1.00 0.00 H new ATOM 0 HA GLN A 122 5.709 8.395 11.124 1.00 0.00 H new ATOM 0 HB2 GLN A 122 7.565 9.076 9.864 1.00 0.00 H new ATOM 0 HB3 GLN A 122 7.204 7.470 9.262 1.00 0.00 H new ATOM 0 HG2 GLN A 122 5.886 8.514 7.373 1.00 0.00 H new ATOM 0 HG3 GLN A 122 6.358 10.099 7.954 1.00 0.00 H new ATOM 0 HE21 GLN A 122 8.026 6.962 7.576 1.00 0.00 H new ATOM 0 HE22 GLN A 122 9.376 7.553 6.601 1.00 0.00 H new