USER MOD reduce.3.24.130724 H: found=0, std=0, add=697, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 698 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 84 MET CE :methyl 164:sc= -2.41 (180deg=-3.04!) USER MOD Set 1.2: A 86 CYS SG : rot 88:sc= -1.92 USER MOD Set 2.1: A 68 TYR OH : rot -160:sc= -0.377 USER MOD Set 2.2: A 72 GLN : amide:sc= 0.421 K(o=0.044,f=-2.1) USER MOD Set 3.1: A 50 ASN :FLIP amide:sc= -0.0839 F(o=-2.1,f=-0.18) USER MOD Set 3.2: A 69 MET CE :methyl -156:sc= -0.0926 (180deg=0) USER MOD Set 4.1: A 37 GLN : amide:sc= -0.121 K(o=-0.24,f=-1) USER MOD Set 4.2: A 74 GLN : amide:sc= -0.12 K(o=-0.24,f=-1.1!) USER MOD Set 5.1: A 28 ASN : amide:sc= 0 X(o=-0.38,f=-0.51) USER MOD Set 5.2: A 35 THR OG1 : rot 74:sc= -0.507 USER MOD Set 5.3: A 76 LYS NZ :NH3+ 167:sc= 0.124 (180deg=0) USER MOD Single : A 22 ASN :FLIP amide:sc= 0.31 F(o=-1.7!,f=0.31) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.477 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN :FLIP amide:sc= -1.95 F(o=-3.4,f=-2) USER MOD Single : A 33 SER OG : rot -6:sc= 0.452 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0172) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -2.11 K(o=-2.1,f=-9.6!) USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.22 K(o=-0.22,f=-0.85) USER MOD Single : A 67 CYS SG : rot 101:sc= 0.438! USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 150:sc= 0 (180deg=-1.11) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot -121:sc= 1.89 USER MOD Single : A 94 ASN : amide:sc= -2.47! C(o=-2.5!,f=-12!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.887 USER MOD Single : A 99 SER OG : rot 100:sc= -0.29 USER MOD Single : A 102 SER OG : rot 130:sc= 0.791 USER MOD Single : A 107 TYR OH : rot 150:sc= -0.331 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot -165:sc= 0.953 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 214 N PRO A 18 1.950 13.499 -0.408 1.00 0.00 N ATOM 215 CA PRO A 18 1.315 12.715 -1.472 1.00 0.00 C ATOM 216 C PRO A 18 -0.024 12.128 -1.040 1.00 0.00 C ATOM 217 O PRO A 18 -0.513 12.412 0.054 1.00 0.00 O ATOM 218 CB PRO A 18 2.327 11.598 -1.741 1.00 0.00 C ATOM 219 CG PRO A 18 3.085 11.458 -0.467 1.00 0.00 C ATOM 220 CD PRO A 18 3.150 12.837 0.130 1.00 0.00 C ATOM 0 HA PRO A 18 1.088 13.324 -2.347 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.827 10.667 -2.008 1.00 0.00 H new ATOM 0 HB3 PRO A 18 2.988 11.854 -2.569 1.00 0.00 H new ATOM 0 HG2 PRO A 18 2.587 10.763 0.209 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.085 11.064 -0.649 1.00 0.00 H new ATOM 0 HD2 PRO A 18 3.136 12.804 1.219 1.00 0.00 H new ATOM 0 HD3 PRO A 18 4.062 13.359 -0.162 1.00 0.00 H new ATOM 228 N ASP A 19 -0.612 11.309 -1.904 1.00 0.00 N ATOM 229 CA ASP A 19 -1.895 10.680 -1.610 1.00 0.00 C ATOM 230 C ASP A 19 -1.701 9.241 -1.144 1.00 0.00 C ATOM 231 O ASP A 19 -0.698 8.603 -1.469 1.00 0.00 O ATOM 232 CB ASP A 19 -2.797 10.712 -2.845 1.00 0.00 C ATOM 233 CG ASP A 19 -4.270 10.684 -2.486 1.00 0.00 C ATOM 234 OD1 ASP A 19 -4.717 9.681 -1.891 1.00 0.00 O ATOM 235 OD2 ASP A 19 -4.976 11.665 -2.800 1.00 0.00 O ATOM 0 H ASP A 19 -0.221 11.065 -2.814 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.371 11.242 -0.806 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -2.584 11.611 -3.424 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.565 9.859 -3.483 1.00 0.00 H new ATOM 240 N ILE A 20 -2.665 8.736 -0.382 1.00 0.00 N ATOM 241 CA ILE A 20 -2.599 7.372 0.128 1.00 0.00 C ATOM 242 C ILE A 20 -2.697 6.356 -1.005 1.00 0.00 C ATOM 243 O ILE A 20 -3.729 6.221 -1.663 1.00 0.00 O ATOM 244 CB ILE A 20 -3.721 7.098 1.147 1.00 0.00 C ATOM 245 CG1 ILE A 20 -3.629 8.080 2.317 1.00 0.00 C ATOM 246 CG2 ILE A 20 -3.643 5.663 1.647 1.00 0.00 C ATOM 247 CD1 ILE A 20 -4.886 8.141 3.155 1.00 0.00 C ATOM 0 H ILE A 20 -3.501 9.251 -0.104 1.00 0.00 H new ATOM 0 HA ILE A 20 -1.634 7.267 0.624 1.00 0.00 H new ATOM 0 HB ILE A 20 -4.682 7.239 0.653 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -2.791 7.796 2.954 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.412 9.075 1.929 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -4.442 5.484 2.366 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.752 4.978 0.806 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.679 5.497 2.127 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -4.749 8.857 3.965 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.724 8.454 2.532 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -5.093 7.156 3.573 1.00 0.00 H new ATOM 259 N PRO A 21 -1.599 5.622 -1.238 1.00 0.00 N ATOM 260 CA PRO A 21 -1.537 4.603 -2.290 1.00 0.00 C ATOM 261 C PRO A 21 -2.401 3.387 -1.971 1.00 0.00 C ATOM 262 O PRO A 21 -2.679 3.099 -0.808 1.00 0.00 O ATOM 263 CB PRO A 21 -0.057 4.213 -2.319 1.00 0.00 C ATOM 264 CG PRO A 21 0.445 4.529 -0.952 1.00 0.00 C ATOM 265 CD PRO A 21 -0.334 5.730 -0.492 1.00 0.00 C ATOM 0 HA PRO A 21 -1.913 4.977 -3.242 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.069 3.156 -2.553 1.00 0.00 H new ATOM 0 HB3 PRO A 21 0.486 4.774 -3.080 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.297 3.686 -0.277 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.514 4.740 -0.968 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -0.500 5.713 0.585 1.00 0.00 H new ATOM 0 HD3 PRO A 21 0.189 6.659 -0.719 1.00 0.00 H new ATOM 273 N ASN A 22 -2.823 2.678 -3.013 1.00 0.00 N ATOM 274 CA ASN A 22 -3.656 1.493 -2.844 1.00 0.00 C ATOM 275 C ASN A 22 -2.913 0.412 -2.065 1.00 0.00 C ATOM 276 O ASN A 22 -1.684 0.339 -2.075 1.00 0.00 O ATOM 277 CB ASN A 22 -4.089 0.949 -4.207 1.00 0.00 C ATOM 278 CG ASN A 22 -4.298 2.050 -5.228 1.00 0.00 C ATOM 279 OD1 ASN A 22 -3.212 2.495 -5.849 1.00 0.00 O flip ATOM 280 ND2 ASN A 22 -5.424 2.493 -5.457 1.00 0.00 N flip ATOM 0 H ASN A 22 -2.602 2.903 -3.983 1.00 0.00 H new ATOM 0 HA ASN A 22 -4.542 1.780 -2.277 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -3.334 0.255 -4.575 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -5.013 0.383 -4.092 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -6.230 2.121 -4.955 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -5.550 3.232 -6.148 1.00 0.00 H new ATOM 287 N PRO A 23 -3.674 -0.449 -1.373 1.00 0.00 N ATOM 288 CA PRO A 23 -3.110 -1.542 -0.576 1.00 0.00 C ATOM 289 C PRO A 23 -2.494 -2.633 -1.445 1.00 0.00 C ATOM 290 O PRO A 23 -2.972 -2.934 -2.539 1.00 0.00 O ATOM 291 CB PRO A 23 -4.319 -2.086 0.188 1.00 0.00 C ATOM 292 CG PRO A 23 -5.493 -1.727 -0.656 1.00 0.00 C ATOM 293 CD PRO A 23 -5.146 -0.421 -1.315 1.00 0.00 C ATOM 0 HA PRO A 23 -2.301 -1.200 0.069 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -4.247 -3.165 0.327 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -4.394 -1.641 1.180 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -5.689 -2.499 -1.400 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -6.394 -1.631 -0.050 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -5.586 -0.343 -2.309 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -5.509 0.429 -0.738 1.00 0.00 H new ATOM 301 N PRO A 24 -1.406 -3.242 -0.949 1.00 0.00 N ATOM 302 CA PRO A 24 -0.702 -4.311 -1.664 1.00 0.00 C ATOM 303 C PRO A 24 -1.515 -5.599 -1.727 1.00 0.00 C ATOM 304 O PRO A 24 -2.273 -5.912 -0.808 1.00 0.00 O ATOM 305 CB PRO A 24 0.566 -4.519 -0.831 1.00 0.00 C ATOM 306 CG PRO A 24 0.200 -4.059 0.538 1.00 0.00 C ATOM 307 CD PRO A 24 -0.781 -2.935 0.348 1.00 0.00 C ATOM 0 HA PRO A 24 -0.507 -4.047 -2.703 1.00 0.00 H new ATOM 0 HB2 PRO A 24 0.871 -5.566 -0.829 1.00 0.00 H new ATOM 0 HB3 PRO A 24 1.401 -3.945 -1.231 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -0.243 -4.870 1.117 1.00 0.00 H new ATOM 0 HG3 PRO A 24 1.080 -3.721 1.085 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -1.517 -2.904 1.151 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -0.283 -1.965 0.335 1.00 0.00 H new ATOM 315 N ARG A 25 -1.352 -6.343 -2.816 1.00 0.00 N ATOM 316 CA ARG A 25 -2.072 -7.598 -2.999 1.00 0.00 C ATOM 317 C ARG A 25 -1.136 -8.791 -2.830 1.00 0.00 C ATOM 318 O ARG A 25 0.082 -8.630 -2.745 1.00 0.00 O ATOM 319 CB ARG A 25 -2.724 -7.640 -4.382 1.00 0.00 C ATOM 320 CG ARG A 25 -1.780 -7.264 -5.512 1.00 0.00 C ATOM 321 CD ARG A 25 -2.413 -7.512 -6.873 1.00 0.00 C ATOM 322 NE ARG A 25 -1.413 -7.602 -7.933 1.00 0.00 N ATOM 323 CZ ARG A 25 -0.915 -6.545 -8.566 1.00 0.00 C ATOM 324 NH1 ARG A 25 -1.322 -5.325 -8.246 1.00 0.00 N ATOM 325 NH2 ARG A 25 -0.008 -6.708 -9.520 1.00 0.00 N ATOM 0 H ARG A 25 -0.728 -6.099 -3.585 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.849 -7.656 -2.237 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.111 -8.643 -4.562 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.578 -6.963 -4.393 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.505 -6.213 -5.423 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.860 -7.842 -5.427 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.991 -8.435 -6.841 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -3.111 -6.706 -7.100 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.078 -8.527 -8.202 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -2.019 -5.196 -7.512 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -0.938 -4.515 -8.733 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.308 -7.645 -9.768 1.00 0.00 H new ATOM 0 HH22 ARG A 25 0.373 -5.896 -10.005 1.00 0.00 H new ATOM 339 N ILE A 26 -1.713 -9.987 -2.783 1.00 0.00 N ATOM 340 CA ILE A 26 -0.930 -11.207 -2.625 1.00 0.00 C ATOM 341 C ILE A 26 -0.692 -11.885 -3.969 1.00 0.00 C ATOM 342 O ILE A 26 -1.635 -12.173 -4.706 1.00 0.00 O ATOM 343 CB ILE A 26 -1.624 -12.202 -1.676 1.00 0.00 C ATOM 344 CG1 ILE A 26 -1.342 -11.833 -0.218 1.00 0.00 C ATOM 345 CG2 ILE A 26 -1.162 -13.622 -1.968 1.00 0.00 C ATOM 346 CD1 ILE A 26 0.082 -12.111 0.211 1.00 0.00 C ATOM 0 H ILE A 26 -2.719 -10.137 -2.852 1.00 0.00 H new ATOM 0 HA ILE A 26 0.027 -10.914 -2.194 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.700 -12.149 -1.842 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.557 -10.775 -0.071 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.022 -12.389 0.427 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.661 -14.314 -1.289 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.410 -13.881 -2.997 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.083 -13.690 -1.827 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.210 -11.825 1.255 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.296 -13.174 0.097 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.768 -11.534 -0.409 1.00 0.00 H new ATOM 358 N ALA A 27 0.574 -12.139 -4.282 1.00 0.00 N ATOM 359 CA ALA A 27 0.937 -12.787 -5.536 1.00 0.00 C ATOM 360 C ALA A 27 1.566 -14.153 -5.286 1.00 0.00 C ATOM 361 O ALA A 27 1.717 -14.955 -6.207 1.00 0.00 O ATOM 362 CB ALA A 27 1.887 -11.904 -6.332 1.00 0.00 C ATOM 0 H ALA A 27 1.366 -11.906 -3.684 1.00 0.00 H new ATOM 0 HA ALA A 27 0.026 -12.936 -6.116 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.149 -12.401 -7.266 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.402 -10.953 -6.551 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.791 -11.725 -5.750 1.00 0.00 H new ATOM 368 N ASN A 28 1.932 -14.411 -4.035 1.00 0.00 N ATOM 369 CA ASN A 28 2.547 -15.681 -3.664 1.00 0.00 C ATOM 370 C ASN A 28 2.761 -15.762 -2.156 1.00 0.00 C ATOM 371 O ASN A 28 3.538 -14.995 -1.587 1.00 0.00 O ATOM 372 CB ASN A 28 3.883 -15.855 -4.390 1.00 0.00 C ATOM 373 CG ASN A 28 4.365 -17.293 -4.375 1.00 0.00 C ATOM 374 OD1 ASN A 28 3.992 -18.094 -5.232 1.00 0.00 O ATOM 375 ND2 ASN A 28 5.199 -17.626 -3.396 1.00 0.00 N ATOM 0 H ASN A 28 1.814 -13.758 -3.261 1.00 0.00 H new ATOM 0 HA ASN A 28 1.872 -16.484 -3.961 1.00 0.00 H new ATOM 0 HB2 ASN A 28 3.779 -15.520 -5.422 1.00 0.00 H new ATOM 0 HB3 ASN A 28 4.634 -15.218 -3.922 1.00 0.00 H new ATOM 0 HD21 ASN A 28 5.557 -18.579 -3.333 1.00 0.00 H new ATOM 0 HD22 ASN A 28 5.481 -16.929 -2.707 1.00 0.00 H new ATOM 382 N ARG A 29 2.066 -16.696 -1.515 1.00 0.00 N ATOM 383 CA ARG A 29 2.180 -16.878 -0.073 1.00 0.00 C ATOM 384 C ARG A 29 2.379 -18.350 0.276 1.00 0.00 C ATOM 385 O ARG A 29 1.621 -19.213 -0.168 1.00 0.00 O ATOM 386 CB ARG A 29 0.931 -16.341 0.630 1.00 0.00 C ATOM 387 CG ARG A 29 -0.349 -17.053 0.225 1.00 0.00 C ATOM 388 CD ARG A 29 -1.551 -16.513 0.984 1.00 0.00 C ATOM 389 NE ARG A 29 -2.773 -17.249 0.671 1.00 0.00 N ATOM 390 CZ ARG A 29 -3.930 -17.050 1.291 1.00 0.00 C ATOM 391 NH1 ARG A 29 -4.023 -16.142 2.252 1.00 0.00 N ATOM 392 NH2 ARG A 29 -4.998 -17.760 0.949 1.00 0.00 N ATOM 0 H ARG A 29 1.418 -17.338 -1.971 1.00 0.00 H new ATOM 0 HA ARG A 29 3.051 -16.320 0.270 1.00 0.00 H new ATOM 0 HB2 ARG A 29 1.063 -16.434 1.708 1.00 0.00 H new ATOM 0 HB3 ARG A 29 0.830 -15.278 0.412 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -0.510 -16.933 -0.846 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -0.248 -18.122 0.414 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -1.358 -16.570 2.055 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.690 -15.460 0.740 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.735 -17.955 -0.064 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -3.204 -15.594 2.517 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.913 -15.991 2.727 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.930 -18.459 0.209 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -5.887 -17.607 1.426 1.00 0.00 H new ATOM 406 N THR A 30 3.405 -18.630 1.074 1.00 0.00 N ATOM 407 CA THR A 30 3.705 -19.996 1.481 1.00 0.00 C ATOM 408 C THR A 30 3.487 -20.185 2.978 1.00 0.00 C ATOM 409 O THR A 30 3.050 -19.267 3.673 1.00 0.00 O ATOM 410 CB THR A 30 5.156 -20.380 1.133 1.00 0.00 C ATOM 411 OG1 THR A 30 6.020 -20.081 2.236 1.00 0.00 O ATOM 412 CG2 THR A 30 5.630 -19.636 -0.106 1.00 0.00 C ATOM 0 H THR A 30 4.042 -17.928 1.451 1.00 0.00 H new ATOM 0 HA THR A 30 3.023 -20.646 0.933 1.00 0.00 H new ATOM 0 HB THR A 30 5.187 -21.450 0.928 1.00 0.00 H new ATOM 0 HG1 THR A 30 6.940 -20.329 2.008 1.00 0.00 H new ATOM 0 HG21 THR A 30 6.657 -19.923 -0.332 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.988 -19.889 -0.950 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.585 -18.562 0.075 1.00 0.00 H new ATOM 420 N LYS A 31 3.794 -21.380 3.470 1.00 0.00 N ATOM 421 CA LYS A 31 3.634 -21.690 4.886 1.00 0.00 C ATOM 422 C LYS A 31 4.660 -20.937 5.727 1.00 0.00 C ATOM 423 O LYS A 31 4.443 -20.689 6.912 1.00 0.00 O ATOM 424 CB LYS A 31 3.773 -23.196 5.119 1.00 0.00 C ATOM 425 CG LYS A 31 2.905 -24.037 4.199 1.00 0.00 C ATOM 426 CD LYS A 31 3.275 -25.508 4.274 1.00 0.00 C ATOM 427 CE LYS A 31 2.093 -26.399 3.923 1.00 0.00 C ATOM 428 NZ LYS A 31 2.457 -27.843 3.957 1.00 0.00 N ATOM 0 H LYS A 31 4.156 -22.151 2.908 1.00 0.00 H new ATOM 0 HA LYS A 31 2.637 -21.373 5.191 1.00 0.00 H new ATOM 0 HB2 LYS A 31 4.816 -23.482 4.982 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.515 -23.420 6.154 1.00 0.00 H new ATOM 0 HG2 LYS A 31 1.857 -23.910 4.470 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.014 -23.685 3.173 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.101 -25.712 3.592 1.00 0.00 H new ATOM 0 HD3 LYS A 31 3.625 -25.745 5.279 1.00 0.00 H new ATOM 0 HE2 LYS A 31 1.278 -26.213 4.623 1.00 0.00 H new ATOM 0 HE3 LYS A 31 1.726 -26.140 2.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 1.625 -28.417 3.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 3.217 -28.026 3.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 2.783 -28.096 4.911 1.00 0.00 H new ATOM 442 N ASN A 32 5.777 -20.576 5.105 1.00 0.00 N ATOM 443 CA ASN A 32 6.837 -19.851 5.797 1.00 0.00 C ATOM 444 C ASN A 32 7.336 -18.681 4.954 1.00 0.00 C ATOM 445 O ASN A 32 8.528 -18.375 4.942 1.00 0.00 O ATOM 446 CB ASN A 32 7.999 -20.791 6.123 1.00 0.00 C ATOM 447 CG ASN A 32 7.625 -21.833 7.160 1.00 0.00 C ATOM 448 OD1 ASN A 32 6.715 -22.729 6.797 1.00 0.00 O flip ATOM 449 ND2 ASN A 32 8.150 -21.833 8.274 1.00 0.00 N flip ATOM 0 H ASN A 32 5.972 -20.773 4.123 1.00 0.00 H new ATOM 0 HA ASN A 32 6.426 -19.457 6.726 1.00 0.00 H new ATOM 0 HB2 ASN A 32 8.326 -21.291 5.211 1.00 0.00 H new ATOM 0 HB3 ASN A 32 8.844 -20.207 6.487 1.00 0.00 H new ATOM 0 HD21 ASN A 32 8.845 -21.125 8.510 1.00 0.00 H new ATOM 0 HD22 ASN A 32 7.890 -22.541 8.960 1.00 0.00 H new ATOM 456 N SER A 33 6.415 -18.031 4.249 1.00 0.00 N ATOM 457 CA SER A 33 6.762 -16.898 3.400 1.00 0.00 C ATOM 458 C SER A 33 5.508 -16.152 2.952 1.00 0.00 C ATOM 459 O SER A 33 4.392 -16.656 3.081 1.00 0.00 O ATOM 460 CB SER A 33 7.552 -17.371 2.179 1.00 0.00 C ATOM 461 OG SER A 33 8.811 -17.898 2.559 1.00 0.00 O ATOM 0 H SER A 33 5.423 -18.270 4.249 1.00 0.00 H new ATOM 0 HA SER A 33 7.382 -16.216 3.982 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.982 -18.132 1.645 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.696 -16.539 1.490 1.00 0.00 H new ATOM 0 HG SER A 33 8.951 -17.753 3.518 1.00 0.00 H new ATOM 467 N LEU A 34 5.701 -14.948 2.424 1.00 0.00 N ATOM 468 CA LEU A 34 4.588 -14.131 1.955 1.00 0.00 C ATOM 469 C LEU A 34 5.059 -13.105 0.929 1.00 0.00 C ATOM 470 O LEU A 34 6.008 -12.359 1.172 1.00 0.00 O ATOM 471 CB LEU A 34 3.919 -13.421 3.133 1.00 0.00 C ATOM 472 CG LEU A 34 2.762 -14.168 3.798 1.00 0.00 C ATOM 473 CD1 LEU A 34 2.357 -13.480 5.093 1.00 0.00 C ATOM 474 CD2 LEU A 34 1.576 -14.266 2.851 1.00 0.00 C ATOM 0 H LEU A 34 6.618 -14.516 2.310 1.00 0.00 H new ATOM 0 HA LEU A 34 3.863 -14.789 1.476 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.678 -13.221 3.889 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.551 -12.455 2.787 1.00 0.00 H new ATOM 0 HG LEU A 34 3.096 -15.178 4.036 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.533 -14.025 5.552 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.206 -13.462 5.777 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.042 -12.459 4.879 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.762 -14.801 3.341 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.242 -13.264 2.582 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.873 -14.804 1.951 1.00 0.00 H new ATOM 486 N THR A 35 4.388 -13.071 -0.218 1.00 0.00 N ATOM 487 CA THR A 35 4.737 -12.136 -1.280 1.00 0.00 C ATOM 488 C THR A 35 3.653 -11.079 -1.460 1.00 0.00 C ATOM 489 O THR A 35 2.473 -11.403 -1.599 1.00 0.00 O ATOM 490 CB THR A 35 4.955 -12.864 -2.620 1.00 0.00 C ATOM 491 OG1 THR A 35 5.790 -14.011 -2.424 1.00 0.00 O ATOM 492 CG2 THR A 35 5.593 -11.936 -3.643 1.00 0.00 C ATOM 0 H THR A 35 3.600 -13.681 -0.435 1.00 0.00 H new ATOM 0 HA THR A 35 5.667 -11.652 -0.982 1.00 0.00 H new ATOM 0 HB THR A 35 3.983 -13.182 -2.997 1.00 0.00 H new ATOM 0 HG1 THR A 35 5.275 -14.719 -1.982 1.00 0.00 H new ATOM 0 HG21 THR A 35 5.737 -12.472 -4.581 1.00 0.00 H new ATOM 0 HG22 THR A 35 4.942 -11.078 -3.812 1.00 0.00 H new ATOM 0 HG23 THR A 35 6.558 -11.592 -3.270 1.00 0.00 H new ATOM 500 N LEU A 36 4.061 -9.815 -1.457 1.00 0.00 N ATOM 501 CA LEU A 36 3.124 -8.709 -1.621 1.00 0.00 C ATOM 502 C LEU A 36 3.564 -7.786 -2.753 1.00 0.00 C ATOM 503 O LEU A 36 4.746 -7.473 -2.887 1.00 0.00 O ATOM 504 CB LEU A 36 3.007 -7.916 -0.318 1.00 0.00 C ATOM 505 CG LEU A 36 2.621 -8.720 0.924 1.00 0.00 C ATOM 506 CD1 LEU A 36 3.185 -8.069 2.178 1.00 0.00 C ATOM 507 CD2 LEU A 36 1.109 -8.854 1.024 1.00 0.00 C ATOM 0 H LEU A 36 5.034 -9.530 -1.343 1.00 0.00 H new ATOM 0 HA LEU A 36 2.149 -9.126 -1.874 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.962 -7.426 -0.127 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.267 -7.128 -0.461 1.00 0.00 H new ATOM 0 HG LEU A 36 3.049 -9.719 0.834 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.900 -8.655 3.052 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.272 -8.026 2.108 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.788 -7.059 2.274 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.853 -9.429 1.914 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.660 -7.863 1.090 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.730 -9.366 0.140 1.00 0.00 H new ATOM 519 N GLN A 37 2.603 -7.353 -3.563 1.00 0.00 N ATOM 520 CA GLN A 37 2.892 -6.464 -4.683 1.00 0.00 C ATOM 521 C GLN A 37 2.063 -5.187 -4.592 1.00 0.00 C ATOM 522 O GLN A 37 1.002 -5.168 -3.968 1.00 0.00 O ATOM 523 CB GLN A 37 2.614 -7.174 -6.009 1.00 0.00 C ATOM 524 CG GLN A 37 3.683 -8.184 -6.394 1.00 0.00 C ATOM 525 CD GLN A 37 3.661 -8.522 -7.872 1.00 0.00 C ATOM 526 OE1 GLN A 37 2.752 -8.120 -8.599 1.00 0.00 O ATOM 527 NE2 GLN A 37 4.664 -9.265 -8.325 1.00 0.00 N ATOM 0 H GLN A 37 1.619 -7.603 -3.465 1.00 0.00 H new ATOM 0 HA GLN A 37 3.947 -6.194 -4.638 1.00 0.00 H new ATOM 0 HB2 GLN A 37 1.652 -7.682 -5.945 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.528 -6.429 -6.800 1.00 0.00 H new ATOM 0 HG2 GLN A 37 4.664 -7.788 -6.130 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.541 -9.096 -5.814 1.00 0.00 H new ATOM 0 HE21 GLN A 37 5.396 -9.577 -7.687 1.00 0.00 H new ATOM 0 HE22 GLN A 37 4.702 -9.524 -9.311 1.00 0.00 H new ATOM 536 N TRP A 38 2.554 -4.124 -5.218 1.00 0.00 N ATOM 537 CA TRP A 38 1.858 -2.842 -5.208 1.00 0.00 C ATOM 538 C TRP A 38 2.431 -1.903 -6.263 1.00 0.00 C ATOM 539 O TRP A 38 3.438 -2.211 -6.902 1.00 0.00 O ATOM 540 CB TRP A 38 1.957 -2.196 -3.825 1.00 0.00 C ATOM 541 CG TRP A 38 3.364 -1.886 -3.413 1.00 0.00 C ATOM 542 CD1 TRP A 38 4.090 -0.779 -3.748 1.00 0.00 C ATOM 543 CD2 TRP A 38 4.215 -2.693 -2.592 1.00 0.00 C ATOM 544 NE1 TRP A 38 5.341 -0.849 -3.184 1.00 0.00 N ATOM 545 CE2 TRP A 38 5.443 -2.014 -2.469 1.00 0.00 C ATOM 546 CE3 TRP A 38 4.058 -3.923 -1.947 1.00 0.00 C ATOM 547 CZ2 TRP A 38 6.505 -2.525 -1.729 1.00 0.00 C ATOM 548 CZ3 TRP A 38 5.114 -4.429 -1.213 1.00 0.00 C ATOM 549 CH2 TRP A 38 6.325 -3.731 -1.108 1.00 0.00 C ATOM 0 H TRP A 38 3.431 -4.124 -5.739 1.00 0.00 H new ATOM 0 HA TRP A 38 0.809 -3.024 -5.442 1.00 0.00 H new ATOM 0 HB2 TRP A 38 1.373 -1.275 -3.819 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.509 -2.862 -3.088 1.00 0.00 H new ATOM 0 HD1 TRP A 38 3.733 0.032 -4.365 1.00 0.00 H new ATOM 0 HE1 TRP A 38 6.075 -0.148 -3.282 1.00 0.00 H new ATOM 0 HE3 TRP A 38 3.129 -4.468 -2.021 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 7.439 -1.988 -1.648 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 5.004 -5.379 -0.711 1.00 0.00 H new ATOM 0 HH2 TRP A 38 7.131 -4.153 -0.526 1.00 0.00 H new ATOM 560 N LYS A 39 1.785 -0.755 -6.441 1.00 0.00 N ATOM 561 CA LYS A 39 2.232 0.231 -7.418 1.00 0.00 C ATOM 562 C LYS A 39 2.397 1.602 -6.771 1.00 0.00 C ATOM 563 O LYS A 39 2.124 1.775 -5.584 1.00 0.00 O ATOM 564 CB LYS A 39 1.235 0.318 -8.577 1.00 0.00 C ATOM 565 CG LYS A 39 1.190 -0.933 -9.436 1.00 0.00 C ATOM 566 CD LYS A 39 0.221 -0.778 -10.596 1.00 0.00 C ATOM 567 CE LYS A 39 0.626 -1.643 -11.780 1.00 0.00 C ATOM 568 NZ LYS A 39 1.601 -0.948 -12.666 1.00 0.00 N ATOM 0 H LYS A 39 0.950 -0.485 -5.921 1.00 0.00 H new ATOM 0 HA LYS A 39 3.201 -0.088 -7.803 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.240 0.509 -8.175 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.494 1.170 -9.205 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.187 -1.148 -9.820 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.893 -1.785 -8.824 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.783 -1.051 -10.272 1.00 0.00 H new ATOM 0 HD3 LYS A 39 0.184 0.267 -10.903 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.063 -2.573 -11.418 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.261 -1.910 -12.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.852 -1.570 -13.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.175 -0.073 -13.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.458 -0.715 -12.124 1.00 0.00 H new ATOM 582 N ALA A 40 2.843 2.574 -7.560 1.00 0.00 N ATOM 583 CA ALA A 40 3.041 3.930 -7.064 1.00 0.00 C ATOM 584 C ALA A 40 1.783 4.772 -7.251 1.00 0.00 C ATOM 585 O ALA A 40 1.120 4.719 -8.287 1.00 0.00 O ATOM 586 CB ALA A 40 4.223 4.582 -7.766 1.00 0.00 C ATOM 0 H ALA A 40 3.074 2.447 -8.545 1.00 0.00 H new ATOM 0 HA ALA A 40 3.253 3.872 -5.996 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.359 5.594 -7.385 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.125 3.999 -7.578 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.033 4.620 -8.839 1.00 0.00 H new ATOM 592 N PRO A 41 1.444 5.566 -6.225 1.00 0.00 N ATOM 593 CA PRO A 41 0.263 6.434 -6.252 1.00 0.00 C ATOM 594 C PRO A 41 0.419 7.596 -7.228 1.00 0.00 C ATOM 595 O PRO A 41 1.299 7.581 -8.089 1.00 0.00 O ATOM 596 CB PRO A 41 0.170 6.952 -4.815 1.00 0.00 C ATOM 597 CG PRO A 41 1.563 6.874 -4.293 1.00 0.00 C ATOM 598 CD PRO A 41 2.188 5.680 -4.959 1.00 0.00 C ATOM 0 HA PRO A 41 -0.627 5.900 -6.586 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -0.207 7.974 -4.786 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.511 6.345 -4.219 1.00 0.00 H new ATOM 0 HG2 PRO A 41 2.117 7.784 -4.523 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.568 6.763 -3.209 1.00 0.00 H new ATOM 0 HD2 PRO A 41 3.254 5.829 -5.132 1.00 0.00 H new ATOM 0 HD3 PRO A 41 2.086 4.781 -4.351 1.00 0.00 H new ATOM 606 N SER A 42 -0.439 8.600 -7.087 1.00 0.00 N ATOM 607 CA SER A 42 -0.398 9.769 -7.959 1.00 0.00 C ATOM 608 C SER A 42 0.461 10.872 -7.348 1.00 0.00 C ATOM 609 O SER A 42 0.091 11.475 -6.340 1.00 0.00 O ATOM 610 CB SER A 42 -1.813 10.291 -8.215 1.00 0.00 C ATOM 611 OG SER A 42 -2.542 9.402 -9.043 1.00 0.00 O ATOM 0 H SER A 42 -1.171 8.628 -6.378 1.00 0.00 H new ATOM 0 HA SER A 42 0.047 9.469 -8.908 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.334 10.419 -7.266 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.762 11.273 -8.686 1.00 0.00 H new ATOM 0 HG SER A 42 -3.443 9.757 -9.190 1.00 0.00 H new ATOM 617 N ASP A 43 1.608 11.131 -7.966 1.00 0.00 N ATOM 618 CA ASP A 43 2.520 12.162 -7.485 1.00 0.00 C ATOM 619 C ASP A 43 1.915 13.550 -7.667 1.00 0.00 C ATOM 620 O ASP A 43 1.936 14.108 -8.763 1.00 0.00 O ATOM 621 CB ASP A 43 3.857 12.074 -8.222 1.00 0.00 C ATOM 622 CG ASP A 43 3.731 12.420 -9.693 1.00 0.00 C ATOM 623 OD1 ASP A 43 3.033 11.681 -10.419 1.00 0.00 O ATOM 624 OD2 ASP A 43 4.331 13.429 -10.118 1.00 0.00 O ATOM 0 H ASP A 43 1.928 10.641 -8.801 1.00 0.00 H new ATOM 0 HA ASP A 43 2.689 11.996 -6.421 1.00 0.00 H new ATOM 0 HB2 ASP A 43 4.572 12.749 -7.753 1.00 0.00 H new ATOM 0 HB3 ASP A 43 4.258 11.065 -8.122 1.00 0.00 H new ATOM 661 N LYS A 47 8.227 14.258 -6.326 1.00 0.00 N ATOM 662 CA LYS A 47 8.456 12.837 -6.559 1.00 0.00 C ATOM 663 C LYS A 47 8.539 12.075 -5.240 1.00 0.00 C ATOM 664 O LYS A 47 9.047 12.593 -4.245 1.00 0.00 O ATOM 665 CB LYS A 47 9.744 12.632 -7.361 1.00 0.00 C ATOM 666 CG LYS A 47 10.267 11.206 -7.317 1.00 0.00 C ATOM 667 CD LYS A 47 9.419 10.275 -8.167 1.00 0.00 C ATOM 668 CE LYS A 47 9.934 8.845 -8.111 1.00 0.00 C ATOM 669 NZ LYS A 47 11.215 8.688 -8.853 1.00 0.00 N ATOM 0 HA LYS A 47 7.613 12.448 -7.130 1.00 0.00 H new ATOM 0 HB2 LYS A 47 9.564 12.913 -8.399 1.00 0.00 H new ATOM 0 HB3 LYS A 47 10.512 13.304 -6.977 1.00 0.00 H new ATOM 0 HG2 LYS A 47 11.298 11.185 -7.670 1.00 0.00 H new ATOM 0 HG3 LYS A 47 10.276 10.852 -6.286 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.386 10.305 -7.821 1.00 0.00 H new ATOM 0 HD3 LYS A 47 9.419 10.623 -9.200 1.00 0.00 H new ATOM 0 HE2 LYS A 47 10.078 8.551 -7.071 1.00 0.00 H new ATOM 0 HE3 LYS A 47 9.186 8.173 -8.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 11.489 7.685 -8.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 11.094 9.024 -9.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 11.958 9.245 -8.385 1.00 0.00 H new ATOM 683 N ILE A 48 8.040 10.844 -5.241 1.00 0.00 N ATOM 684 CA ILE A 48 8.060 10.011 -4.044 1.00 0.00 C ATOM 685 C ILE A 48 9.445 9.415 -3.814 1.00 0.00 C ATOM 686 O ILE A 48 9.927 8.615 -4.614 1.00 0.00 O ATOM 687 CB ILE A 48 7.031 8.869 -4.136 1.00 0.00 C ATOM 688 CG1 ILE A 48 5.620 9.438 -4.300 1.00 0.00 C ATOM 689 CG2 ILE A 48 7.111 7.984 -2.901 1.00 0.00 C ATOM 690 CD1 ILE A 48 4.594 8.401 -4.702 1.00 0.00 C ATOM 0 H ILE A 48 7.617 10.401 -6.057 1.00 0.00 H new ATOM 0 HA ILE A 48 7.800 10.656 -3.205 1.00 0.00 H new ATOM 0 HB ILE A 48 7.261 8.261 -5.011 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.311 9.898 -3.362 1.00 0.00 H new ATOM 0 HG13 ILE A 48 5.640 10.228 -5.051 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.378 7.181 -2.980 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.111 7.556 -2.824 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.902 8.580 -2.012 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.617 8.875 -4.800 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.880 7.957 -5.656 1.00 0.00 H new ATOM 0 HD13 ILE A 48 4.545 7.623 -3.940 1.00 0.00 H new ATOM 702 N GLN A 49 10.077 9.810 -2.713 1.00 0.00 N ATOM 703 CA GLN A 49 11.406 9.313 -2.376 1.00 0.00 C ATOM 704 C GLN A 49 11.442 7.789 -2.409 1.00 0.00 C ATOM 705 O GLN A 49 12.094 7.192 -3.265 1.00 0.00 O ATOM 706 CB GLN A 49 11.826 9.816 -0.994 1.00 0.00 C ATOM 707 CG GLN A 49 11.955 11.328 -0.909 1.00 0.00 C ATOM 708 CD GLN A 49 12.904 11.772 0.186 1.00 0.00 C ATOM 709 OE1 GLN A 49 12.731 11.421 1.354 1.00 0.00 O ATOM 710 NE2 GLN A 49 13.915 12.549 -0.185 1.00 0.00 N ATOM 0 H GLN A 49 9.691 10.472 -2.040 1.00 0.00 H new ATOM 0 HA GLN A 49 12.107 9.690 -3.120 1.00 0.00 H new ATOM 0 HB2 GLN A 49 11.096 9.480 -0.257 1.00 0.00 H new ATOM 0 HB3 GLN A 49 12.781 9.363 -0.726 1.00 0.00 H new ATOM 0 HG2 GLN A 49 12.305 11.713 -1.867 1.00 0.00 H new ATOM 0 HG3 GLN A 49 10.972 11.763 -0.731 1.00 0.00 H new ATOM 0 HE21 GLN A 49 14.021 12.816 -1.164 1.00 0.00 H new ATOM 0 HE22 GLN A 49 14.586 12.879 0.509 1.00 0.00 H new ATOM 719 N ASN A 50 10.737 7.165 -1.471 1.00 0.00 N ATOM 720 CA ASN A 50 10.690 5.709 -1.392 1.00 0.00 C ATOM 721 C ASN A 50 9.395 5.242 -0.734 1.00 0.00 C ATOM 722 O ASN A 50 8.623 6.050 -0.216 1.00 0.00 O ATOM 723 CB ASN A 50 11.893 5.181 -0.608 1.00 0.00 C ATOM 724 CG ASN A 50 12.375 6.163 0.442 1.00 0.00 C ATOM 725 OD1 ASN A 50 11.454 6.649 1.265 1.00 0.00 O flip ATOM 726 ND2 ASN A 50 13.563 6.480 0.512 1.00 0.00 N flip ATOM 0 H ASN A 50 10.191 7.644 -0.755 1.00 0.00 H new ATOM 0 HA ASN A 50 10.724 5.313 -2.407 1.00 0.00 H new ATOM 0 HB2 ASN A 50 11.625 4.241 -0.126 1.00 0.00 H new ATOM 0 HB3 ASN A 50 12.707 4.964 -1.300 1.00 0.00 H new ATOM 0 HD21 ASN A 50 14.237 6.081 -0.142 1.00 0.00 H new ATOM 0 HD22 ASN A 50 13.873 7.141 1.224 1.00 0.00 H new ATOM 733 N PHE A 51 9.164 3.934 -0.759 1.00 0.00 N ATOM 734 CA PHE A 51 7.962 3.359 -0.165 1.00 0.00 C ATOM 735 C PHE A 51 8.242 2.851 1.246 1.00 0.00 C ATOM 736 O PHE A 51 9.294 2.268 1.511 1.00 0.00 O ATOM 737 CB PHE A 51 7.435 2.216 -1.035 1.00 0.00 C ATOM 738 CG PHE A 51 6.822 2.679 -2.326 1.00 0.00 C ATOM 739 CD1 PHE A 51 5.614 3.358 -2.330 1.00 0.00 C ATOM 740 CD2 PHE A 51 7.454 2.436 -3.535 1.00 0.00 C ATOM 741 CE1 PHE A 51 5.048 3.784 -3.516 1.00 0.00 C ATOM 742 CE2 PHE A 51 6.892 2.860 -4.724 1.00 0.00 C ATOM 743 CZ PHE A 51 5.688 3.536 -4.715 1.00 0.00 C ATOM 0 H PHE A 51 9.792 3.252 -1.184 1.00 0.00 H new ATOM 0 HA PHE A 51 7.205 4.142 -0.107 1.00 0.00 H new ATOM 0 HB2 PHE A 51 8.254 1.531 -1.256 1.00 0.00 H new ATOM 0 HB3 PHE A 51 6.692 1.653 -0.470 1.00 0.00 H new ATOM 0 HD1 PHE A 51 5.110 3.556 -1.396 1.00 0.00 H new ATOM 0 HD2 PHE A 51 8.397 1.909 -3.548 1.00 0.00 H new ATOM 0 HE1 PHE A 51 4.105 4.311 -3.506 1.00 0.00 H new ATOM 0 HE2 PHE A 51 7.394 2.663 -5.660 1.00 0.00 H new ATOM 0 HZ PHE A 51 5.248 3.870 -5.643 1.00 0.00 H new ATOM 753 N VAL A 52 7.294 3.077 2.150 1.00 0.00 N ATOM 754 CA VAL A 52 7.437 2.642 3.534 1.00 0.00 C ATOM 755 C VAL A 52 6.404 1.577 3.885 1.00 0.00 C ATOM 756 O VAL A 52 5.226 1.879 4.078 1.00 0.00 O ATOM 757 CB VAL A 52 7.292 3.824 4.511 1.00 0.00 C ATOM 758 CG1 VAL A 52 7.474 3.356 5.947 1.00 0.00 C ATOM 759 CG2 VAL A 52 8.288 4.922 4.170 1.00 0.00 C ATOM 0 H VAL A 52 6.418 3.559 1.948 1.00 0.00 H new ATOM 0 HA VAL A 52 8.437 2.220 3.632 1.00 0.00 H new ATOM 0 HB VAL A 52 6.286 4.233 4.412 1.00 0.00 H new ATOM 0 HG11 VAL A 52 7.368 4.205 6.623 1.00 0.00 H new ATOM 0 HG12 VAL A 52 6.718 2.607 6.184 1.00 0.00 H new ATOM 0 HG13 VAL A 52 8.466 2.920 6.065 1.00 0.00 H new ATOM 0 HG21 VAL A 52 8.172 5.749 4.870 1.00 0.00 H new ATOM 0 HG22 VAL A 52 9.302 4.528 4.239 1.00 0.00 H new ATOM 0 HG23 VAL A 52 8.105 5.277 3.156 1.00 0.00 H new ATOM 769 N LEU A 53 6.854 0.330 3.968 1.00 0.00 N ATOM 770 CA LEU A 53 5.969 -0.782 4.297 1.00 0.00 C ATOM 771 C LEU A 53 6.011 -1.088 5.791 1.00 0.00 C ATOM 772 O LEU A 53 7.051 -0.946 6.433 1.00 0.00 O ATOM 773 CB LEU A 53 6.362 -2.026 3.498 1.00 0.00 C ATOM 774 CG LEU A 53 5.452 -3.244 3.662 1.00 0.00 C ATOM 775 CD1 LEU A 53 4.091 -2.982 3.036 1.00 0.00 C ATOM 776 CD2 LEU A 53 6.096 -4.477 3.046 1.00 0.00 C ATOM 0 H LEU A 53 7.826 0.063 3.812 1.00 0.00 H new ATOM 0 HA LEU A 53 4.951 -0.495 4.033 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.393 -1.760 2.441 1.00 0.00 H new ATOM 0 HB3 LEU A 53 7.374 -2.312 3.784 1.00 0.00 H new ATOM 0 HG LEU A 53 5.310 -3.427 4.727 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.457 -3.860 3.163 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.625 -2.125 3.523 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.213 -2.773 1.973 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.435 -5.334 3.172 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.269 -4.305 1.984 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.047 -4.676 3.541 1.00 0.00 H new ATOM 788 N GLU A 54 4.875 -1.510 6.336 1.00 0.00 N ATOM 789 CA GLU A 54 4.784 -1.838 7.754 1.00 0.00 C ATOM 790 C GLU A 54 3.854 -3.027 7.979 1.00 0.00 C ATOM 791 O GLU A 54 2.898 -3.230 7.231 1.00 0.00 O ATOM 792 CB GLU A 54 4.286 -0.629 8.548 1.00 0.00 C ATOM 793 CG GLU A 54 5.395 0.319 8.972 1.00 0.00 C ATOM 794 CD GLU A 54 5.974 1.098 7.807 1.00 0.00 C ATOM 795 OE1 GLU A 54 5.299 1.185 6.759 1.00 0.00 O ATOM 796 OE2 GLU A 54 7.100 1.620 7.942 1.00 0.00 O ATOM 0 H GLU A 54 4.005 -1.633 5.818 1.00 0.00 H new ATOM 0 HA GLU A 54 5.781 -2.108 8.103 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.562 -0.081 7.944 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.760 -0.980 9.436 1.00 0.00 H new ATOM 0 HG2 GLU A 54 5.007 1.017 9.714 1.00 0.00 H new ATOM 0 HG3 GLU A 54 6.190 -0.250 9.454 1.00 0.00 H new ATOM 803 N TRP A 55 4.141 -3.807 9.014 1.00 0.00 N ATOM 804 CA TRP A 55 3.331 -4.976 9.338 1.00 0.00 C ATOM 805 C TRP A 55 3.368 -5.266 10.834 1.00 0.00 C ATOM 806 O TRP A 55 4.225 -4.753 11.554 1.00 0.00 O ATOM 807 CB TRP A 55 3.824 -6.195 8.557 1.00 0.00 C ATOM 808 CG TRP A 55 5.096 -6.774 9.099 1.00 0.00 C ATOM 809 CD1 TRP A 55 6.167 -6.082 9.588 1.00 0.00 C ATOM 810 CD2 TRP A 55 5.429 -8.162 9.205 1.00 0.00 C ATOM 811 NE1 TRP A 55 7.147 -6.957 9.991 1.00 0.00 N ATOM 812 CE2 TRP A 55 6.719 -8.239 9.767 1.00 0.00 C ATOM 813 CE3 TRP A 55 4.764 -9.347 8.881 1.00 0.00 C ATOM 814 CZ2 TRP A 55 7.353 -9.454 10.010 1.00 0.00 C ATOM 815 CZ3 TRP A 55 5.395 -10.553 9.123 1.00 0.00 C ATOM 816 CH2 TRP A 55 6.678 -10.599 9.684 1.00 0.00 C ATOM 0 H TRP A 55 4.928 -3.652 9.644 1.00 0.00 H new ATOM 0 HA TRP A 55 2.300 -4.764 9.054 1.00 0.00 H new ATOM 0 HB2 TRP A 55 3.050 -6.962 8.569 1.00 0.00 H new ATOM 0 HB3 TRP A 55 3.977 -5.913 7.515 1.00 0.00 H new ATOM 0 HD1 TRP A 55 6.234 -5.006 9.649 1.00 0.00 H new ATOM 0 HE1 TRP A 55 8.047 -6.694 10.392 1.00 0.00 H new ATOM 0 HE3 TRP A 55 3.774 -9.321 8.449 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 8.343 -9.492 10.441 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 4.890 -11.475 8.875 1.00 0.00 H new ATOM 0 HH2 TRP A 55 7.144 -11.557 9.863 1.00 0.00 H new ATOM 827 N ASP A 56 2.435 -6.091 11.296 1.00 0.00 N ATOM 828 CA ASP A 56 2.362 -6.450 12.707 1.00 0.00 C ATOM 829 C ASP A 56 3.063 -7.780 12.966 1.00 0.00 C ATOM 830 O ASP A 56 2.627 -8.569 13.804 1.00 0.00 O ATOM 831 CB ASP A 56 0.904 -6.532 13.160 1.00 0.00 C ATOM 832 CG ASP A 56 0.159 -7.682 12.511 1.00 0.00 C ATOM 833 OD1 ASP A 56 0.807 -8.697 12.181 1.00 0.00 O ATOM 834 OD2 ASP A 56 -1.072 -7.567 12.335 1.00 0.00 O ATOM 0 H ASP A 56 1.718 -6.524 10.713 1.00 0.00 H new ATOM 0 HA ASP A 56 2.869 -5.674 13.280 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.869 -6.646 14.243 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.399 -5.596 12.922 1.00 0.00 H new ATOM 839 N GLU A 57 4.150 -8.022 12.240 1.00 0.00 N ATOM 840 CA GLU A 57 4.910 -9.258 12.391 1.00 0.00 C ATOM 841 C GLU A 57 3.979 -10.441 12.639 1.00 0.00 C ATOM 842 O GLU A 57 4.358 -11.418 13.284 1.00 0.00 O ATOM 843 CB GLU A 57 5.909 -9.131 13.542 1.00 0.00 C ATOM 844 CG GLU A 57 7.164 -8.356 13.176 1.00 0.00 C ATOM 845 CD GLU A 57 8.155 -8.276 14.321 1.00 0.00 C ATOM 846 OE1 GLU A 57 7.821 -7.657 15.353 1.00 0.00 O ATOM 847 OE2 GLU A 57 9.265 -8.833 14.185 1.00 0.00 O ATOM 0 H GLU A 57 4.524 -7.379 11.542 1.00 0.00 H new ATOM 0 HA GLU A 57 5.456 -9.435 11.464 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.421 -8.639 14.383 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.193 -10.129 13.877 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.642 -8.830 12.319 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.887 -7.347 12.869 1.00 0.00 H new ATOM 854 N GLY A 58 2.758 -10.345 12.122 1.00 0.00 N ATOM 855 CA GLY A 58 1.791 -11.413 12.298 1.00 0.00 C ATOM 856 C GLY A 58 1.694 -11.875 13.739 1.00 0.00 C ATOM 857 O GLY A 58 1.714 -13.074 14.018 1.00 0.00 O ATOM 0 H GLY A 58 2.421 -9.546 11.584 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.812 -11.071 11.962 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.068 -12.257 11.667 1.00 0.00 H new ATOM 861 N LYS A 59 1.589 -10.922 14.658 1.00 0.00 N ATOM 862 CA LYS A 59 1.489 -11.235 16.079 1.00 0.00 C ATOM 863 C LYS A 59 0.031 -11.269 16.527 1.00 0.00 C ATOM 864 O LYS A 59 -0.428 -12.254 17.104 1.00 0.00 O ATOM 865 CB LYS A 59 2.264 -10.207 16.905 1.00 0.00 C ATOM 866 CG LYS A 59 3.737 -10.123 16.546 1.00 0.00 C ATOM 867 CD LYS A 59 4.410 -8.940 17.222 1.00 0.00 C ATOM 868 CE LYS A 59 5.913 -9.143 17.336 1.00 0.00 C ATOM 869 NZ LYS A 59 6.269 -10.017 18.488 1.00 0.00 N ATOM 0 H LYS A 59 1.571 -9.925 14.444 1.00 0.00 H new ATOM 0 HA LYS A 59 1.923 -12.222 16.240 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.809 -9.226 16.768 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.170 -10.457 17.962 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.237 -11.045 16.842 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.844 -10.035 15.465 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.207 -8.032 16.655 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.985 -8.797 18.215 1.00 0.00 H new ATOM 0 HE2 LYS A 59 6.291 -9.585 16.414 1.00 0.00 H new ATOM 0 HE3 LYS A 59 6.403 -8.176 17.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.302 -10.131 18.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.931 -9.583 19.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.823 -10.949 18.368 1.00 0.00 H new ATOM 883 N GLY A 60 -0.692 -10.187 16.255 1.00 0.00 N ATOM 884 CA GLY A 60 -2.090 -10.114 16.637 1.00 0.00 C ATOM 885 C GLY A 60 -2.321 -9.204 17.827 1.00 0.00 C ATOM 886 O GLY A 60 -3.060 -9.550 18.747 1.00 0.00 O ATOM 0 H GLY A 60 -0.335 -9.360 15.777 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -2.676 -9.756 15.791 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -2.451 -11.115 16.874 1.00 0.00 H new ATOM 890 N ASN A 61 -1.684 -8.038 17.809 1.00 0.00 N ATOM 891 CA ASN A 61 -1.822 -7.076 18.897 1.00 0.00 C ATOM 892 C ASN A 61 -2.278 -5.719 18.369 1.00 0.00 C ATOM 893 O ASN A 61 -3.140 -5.069 18.959 1.00 0.00 O ATOM 894 CB ASN A 61 -0.495 -6.925 19.643 1.00 0.00 C ATOM 895 CG ASN A 61 0.487 -6.036 18.905 1.00 0.00 C ATOM 896 OD1 ASN A 61 0.706 -4.886 19.284 1.00 0.00 O ATOM 897 ND2 ASN A 61 1.082 -6.566 17.843 1.00 0.00 N ATOM 0 H ASN A 61 -1.068 -7.736 17.054 1.00 0.00 H new ATOM 0 HA ASN A 61 -2.579 -7.451 19.586 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -0.683 -6.510 20.633 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -0.050 -7.909 19.790 1.00 0.00 H new ATOM 0 HD21 ASN A 61 1.751 -6.015 17.305 1.00 0.00 H new ATOM 0 HD22 ASN A 61 0.870 -7.524 17.565 1.00 0.00 H new ATOM 904 N GLY A 62 -1.692 -5.297 17.252 1.00 0.00 N ATOM 905 CA GLY A 62 -2.051 -4.021 16.662 1.00 0.00 C ATOM 906 C GLY A 62 -0.891 -3.046 16.640 1.00 0.00 C ATOM 907 O GLY A 62 -1.087 -1.836 16.747 1.00 0.00 O ATOM 0 H GLY A 62 -0.975 -5.817 16.746 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.406 -4.182 15.644 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -2.878 -3.585 17.223 1.00 0.00 H new ATOM 911 N GLU A 63 0.322 -3.574 16.503 1.00 0.00 N ATOM 912 CA GLU A 63 1.518 -2.740 16.470 1.00 0.00 C ATOM 913 C GLU A 63 2.246 -2.886 15.136 1.00 0.00 C ATOM 914 O GLU A 63 2.799 -3.942 14.830 1.00 0.00 O ATOM 915 CB GLU A 63 2.457 -3.112 17.619 1.00 0.00 C ATOM 916 CG GLU A 63 2.116 -2.424 18.930 1.00 0.00 C ATOM 917 CD GLU A 63 2.664 -1.012 19.008 1.00 0.00 C ATOM 918 OE1 GLU A 63 2.627 -0.305 17.980 1.00 0.00 O ATOM 919 OE2 GLU A 63 3.129 -0.615 20.096 1.00 0.00 O ATOM 0 H GLU A 63 0.502 -4.574 16.413 1.00 0.00 H new ATOM 0 HA GLU A 63 1.209 -1.701 16.584 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.427 -4.192 17.766 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.479 -2.856 17.339 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.033 -2.397 19.051 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.514 -3.010 19.758 1.00 0.00 H new ATOM 926 N PHE A 64 2.240 -1.817 14.346 1.00 0.00 N ATOM 927 CA PHE A 64 2.898 -1.825 13.045 1.00 0.00 C ATOM 928 C PHE A 64 4.313 -1.263 13.147 1.00 0.00 C ATOM 929 O PHE A 64 4.534 -0.216 13.756 1.00 0.00 O ATOM 930 CB PHE A 64 2.086 -1.012 12.034 1.00 0.00 C ATOM 931 CG PHE A 64 0.843 -1.710 11.562 1.00 0.00 C ATOM 932 CD1 PHE A 64 -0.125 -2.116 12.467 1.00 0.00 C ATOM 933 CD2 PHE A 64 0.643 -1.962 10.215 1.00 0.00 C ATOM 934 CE1 PHE A 64 -1.269 -2.760 12.035 1.00 0.00 C ATOM 935 CE2 PHE A 64 -0.499 -2.605 9.777 1.00 0.00 C ATOM 936 CZ PHE A 64 -1.457 -3.004 10.688 1.00 0.00 C ATOM 0 H PHE A 64 1.787 -0.935 14.584 1.00 0.00 H new ATOM 0 HA PHE A 64 2.960 -2.858 12.704 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.809 -0.059 12.485 1.00 0.00 H new ATOM 0 HB3 PHE A 64 2.715 -0.786 11.173 1.00 0.00 H new ATOM 0 HD1 PHE A 64 0.016 -1.927 13.521 1.00 0.00 H new ATOM 0 HD2 PHE A 64 1.389 -1.652 9.498 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -2.016 -3.072 12.750 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.642 -2.795 8.724 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.351 -3.506 10.348 1.00 0.00 H new ATOM 946 N CYS A 65 5.267 -1.968 12.549 1.00 0.00 N ATOM 947 CA CYS A 65 6.661 -1.541 12.573 1.00 0.00 C ATOM 948 C CYS A 65 7.261 -1.561 11.171 1.00 0.00 C ATOM 949 O CYS A 65 6.809 -2.308 10.303 1.00 0.00 O ATOM 950 CB CYS A 65 7.476 -2.443 13.502 1.00 0.00 C ATOM 951 SG CYS A 65 7.514 -1.889 15.222 1.00 0.00 S ATOM 0 H CYS A 65 5.101 -2.837 12.042 1.00 0.00 H new ATOM 0 HA CYS A 65 6.695 -0.518 12.948 1.00 0.00 H new ATOM 0 HB2 CYS A 65 7.064 -3.451 13.465 1.00 0.00 H new ATOM 0 HB3 CYS A 65 8.498 -2.503 13.128 1.00 0.00 H new ATOM 0 HG CYS A 65 8.225 -2.717 15.929 1.00 0.00 H new ATOM 957 N GLN A 66 8.278 -0.734 10.956 1.00 0.00 N ATOM 958 CA GLN A 66 8.937 -0.655 9.658 1.00 0.00 C ATOM 959 C GLN A 66 9.361 -2.039 9.177 1.00 0.00 C ATOM 960 O GLN A 66 10.298 -2.633 9.712 1.00 0.00 O ATOM 961 CB GLN A 66 10.157 0.266 9.736 1.00 0.00 C ATOM 962 CG GLN A 66 10.637 0.756 8.380 1.00 0.00 C ATOM 963 CD GLN A 66 11.808 1.712 8.486 1.00 0.00 C ATOM 964 OE1 GLN A 66 12.002 2.363 9.513 1.00 0.00 O ATOM 965 NE2 GLN A 66 12.597 1.803 7.422 1.00 0.00 N ATOM 0 H GLN A 66 8.664 -0.109 11.664 1.00 0.00 H new ATOM 0 HA GLN A 66 8.225 -0.244 8.943 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.913 1.127 10.358 1.00 0.00 H new ATOM 0 HB3 GLN A 66 10.971 -0.264 10.230 1.00 0.00 H new ATOM 0 HG2 GLN A 66 10.926 -0.100 7.770 1.00 0.00 H new ATOM 0 HG3 GLN A 66 9.814 1.251 7.865 1.00 0.00 H new ATOM 0 HE21 GLN A 66 12.399 1.245 6.591 1.00 0.00 H new ATOM 0 HE22 GLN A 66 13.401 2.431 7.435 1.00 0.00 H new ATOM 974 N CYS A 67 8.665 -2.547 8.166 1.00 0.00 N ATOM 975 CA CYS A 67 8.968 -3.863 7.614 1.00 0.00 C ATOM 976 C CYS A 67 9.992 -3.757 6.489 1.00 0.00 C ATOM 977 O CYS A 67 11.020 -4.436 6.506 1.00 0.00 O ATOM 978 CB CYS A 67 7.691 -4.528 7.097 1.00 0.00 C ATOM 979 SG CYS A 67 7.765 -6.334 7.057 1.00 0.00 S ATOM 0 H CYS A 67 7.887 -2.068 7.712 1.00 0.00 H new ATOM 0 HA CYS A 67 9.391 -4.476 8.410 1.00 0.00 H new ATOM 0 HB2 CYS A 67 6.855 -4.223 7.726 1.00 0.00 H new ATOM 0 HB3 CYS A 67 7.484 -4.161 6.092 1.00 0.00 H new ATOM 0 HG CYS A 67 7.134 -6.817 8.086 1.00 0.00 H new ATOM 985 N TYR A 68 9.705 -2.904 5.513 1.00 0.00 N ATOM 986 CA TYR A 68 10.600 -2.713 4.377 1.00 0.00 C ATOM 987 C TYR A 68 10.469 -1.302 3.812 1.00 0.00 C ATOM 988 O TYR A 68 9.363 -0.798 3.621 1.00 0.00 O ATOM 989 CB TYR A 68 10.299 -3.741 3.286 1.00 0.00 C ATOM 990 CG TYR A 68 11.080 -3.517 2.011 1.00 0.00 C ATOM 991 CD1 TYR A 68 10.606 -2.663 1.022 1.00 0.00 C ATOM 992 CD2 TYR A 68 12.294 -4.158 1.795 1.00 0.00 C ATOM 993 CE1 TYR A 68 11.316 -2.456 -0.144 1.00 0.00 C ATOM 994 CE2 TYR A 68 13.012 -3.956 0.632 1.00 0.00 C ATOM 995 CZ TYR A 68 12.519 -3.105 -0.334 1.00 0.00 C ATOM 996 OH TYR A 68 13.230 -2.900 -1.494 1.00 0.00 O ATOM 0 H TYR A 68 8.860 -2.333 5.485 1.00 0.00 H new ATOM 0 HA TYR A 68 11.623 -2.852 4.725 1.00 0.00 H new ATOM 0 HB2 TYR A 68 10.520 -4.738 3.667 1.00 0.00 H new ATOM 0 HB3 TYR A 68 9.233 -3.716 3.059 1.00 0.00 H new ATOM 0 HD1 TYR A 68 9.666 -2.152 1.168 1.00 0.00 H new ATOM 0 HD2 TYR A 68 12.683 -4.826 2.549 1.00 0.00 H new ATOM 0 HE1 TYR A 68 10.932 -1.790 -0.903 1.00 0.00 H new ATOM 0 HE2 TYR A 68 13.954 -4.462 0.481 1.00 0.00 H new ATOM 0 HH TYR A 68 13.863 -3.637 -1.624 1.00 0.00 H new ATOM 1006 N MET A 69 11.608 -0.670 3.547 1.00 0.00 N ATOM 1007 CA MET A 69 11.622 0.683 3.002 1.00 0.00 C ATOM 1008 C MET A 69 12.627 0.799 1.861 1.00 0.00 C ATOM 1009 O MET A 69 13.833 0.668 2.067 1.00 0.00 O ATOM 1010 CB MET A 69 11.959 1.694 4.099 1.00 0.00 C ATOM 1011 CG MET A 69 12.114 3.117 3.587 1.00 0.00 C ATOM 1012 SD MET A 69 12.397 4.306 4.914 1.00 0.00 S ATOM 1013 CE MET A 69 12.667 5.805 3.973 1.00 0.00 C ATOM 0 H MET A 69 12.532 -1.073 3.701 1.00 0.00 H new ATOM 0 HA MET A 69 10.628 0.901 2.611 1.00 0.00 H new ATOM 0 HB2 MET A 69 11.174 1.672 4.855 1.00 0.00 H new ATOM 0 HB3 MET A 69 12.884 1.390 4.590 1.00 0.00 H new ATOM 0 HG2 MET A 69 12.946 3.158 2.884 1.00 0.00 H new ATOM 0 HG3 MET A 69 11.217 3.400 3.036 1.00 0.00 H new ATOM 0 HE1 MET A 69 13.254 6.506 4.566 1.00 0.00 H new ATOM 0 HE2 MET A 69 13.205 5.567 3.055 1.00 0.00 H new ATOM 0 HE3 MET A 69 11.707 6.256 3.724 1.00 0.00 H new ATOM 1023 N GLY A 70 12.122 1.045 0.656 1.00 0.00 N ATOM 1024 CA GLY A 70 12.990 1.174 -0.500 1.00 0.00 C ATOM 1025 C GLY A 70 12.233 1.569 -1.753 1.00 0.00 C ATOM 1026 O GLY A 70 11.046 1.890 -1.693 1.00 0.00 O ATOM 0 H GLY A 70 11.127 1.157 0.460 1.00 0.00 H new ATOM 0 HA2 GLY A 70 13.757 1.920 -0.293 1.00 0.00 H new ATOM 0 HA3 GLY A 70 13.503 0.228 -0.672 1.00 0.00 H new ATOM 1030 N SER A 71 12.921 1.547 -2.890 1.00 0.00 N ATOM 1031 CA SER A 71 12.307 1.911 -4.161 1.00 0.00 C ATOM 1032 C SER A 71 11.487 0.752 -4.720 1.00 0.00 C ATOM 1033 O SER A 71 10.459 0.960 -5.364 1.00 0.00 O ATOM 1034 CB SER A 71 13.381 2.324 -5.170 1.00 0.00 C ATOM 1035 OG SER A 71 12.814 2.577 -6.444 1.00 0.00 O ATOM 0 H SER A 71 13.903 1.281 -2.957 1.00 0.00 H new ATOM 0 HA SER A 71 11.639 2.754 -3.986 1.00 0.00 H new ATOM 0 HB2 SER A 71 13.895 3.217 -4.814 1.00 0.00 H new ATOM 0 HB3 SER A 71 14.130 1.536 -5.252 1.00 0.00 H new ATOM 0 HG SER A 71 13.520 2.840 -7.070 1.00 0.00 H new ATOM 1041 N GLN A 72 11.951 -0.468 -4.469 1.00 0.00 N ATOM 1042 CA GLN A 72 11.261 -1.660 -4.947 1.00 0.00 C ATOM 1043 C GLN A 72 9.776 -1.604 -4.605 1.00 0.00 C ATOM 1044 O GLN A 72 9.381 -1.013 -3.600 1.00 0.00 O ATOM 1045 CB GLN A 72 11.889 -2.916 -4.341 1.00 0.00 C ATOM 1046 CG GLN A 72 13.341 -3.122 -4.739 1.00 0.00 C ATOM 1047 CD GLN A 72 13.965 -4.329 -4.065 1.00 0.00 C ATOM 1048 OE1 GLN A 72 14.861 -4.194 -3.231 1.00 0.00 O ATOM 1049 NE2 GLN A 72 13.494 -5.517 -4.424 1.00 0.00 N ATOM 0 H GLN A 72 12.801 -0.657 -3.938 1.00 0.00 H new ATOM 0 HA GLN A 72 11.364 -1.698 -6.031 1.00 0.00 H new ATOM 0 HB2 GLN A 72 11.824 -2.857 -3.255 1.00 0.00 H new ATOM 0 HB3 GLN A 72 11.310 -3.787 -4.648 1.00 0.00 H new ATOM 0 HG2 GLN A 72 13.404 -3.242 -5.821 1.00 0.00 H new ATOM 0 HG3 GLN A 72 13.914 -2.231 -4.483 1.00 0.00 H new ATOM 0 HE21 GLN A 72 12.751 -5.582 -5.119 1.00 0.00 H new ATOM 0 HE22 GLN A 72 13.876 -6.365 -4.005 1.00 0.00 H new ATOM 1058 N LYS A 73 8.955 -2.222 -5.448 1.00 0.00 N ATOM 1059 CA LYS A 73 7.513 -2.243 -5.236 1.00 0.00 C ATOM 1060 C LYS A 73 7.036 -3.649 -4.885 1.00 0.00 C ATOM 1061 O LYS A 73 5.838 -3.887 -4.732 1.00 0.00 O ATOM 1062 CB LYS A 73 6.785 -1.744 -6.486 1.00 0.00 C ATOM 1063 CG LYS A 73 7.093 -0.297 -6.831 1.00 0.00 C ATOM 1064 CD LYS A 73 6.182 0.219 -7.932 1.00 0.00 C ATOM 1065 CE LYS A 73 6.889 1.245 -8.805 1.00 0.00 C ATOM 1066 NZ LYS A 73 5.924 2.143 -9.498 1.00 0.00 N ATOM 0 H LYS A 73 9.265 -2.715 -6.285 1.00 0.00 H new ATOM 0 HA LYS A 73 7.284 -1.581 -4.401 1.00 0.00 H new ATOM 0 HB2 LYS A 73 7.057 -2.376 -7.331 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.711 -1.853 -6.339 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.978 0.323 -5.942 1.00 0.00 H new ATOM 0 HG3 LYS A 73 8.133 -0.211 -7.147 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.846 -0.615 -8.548 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.292 0.667 -7.489 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.563 1.842 -8.191 1.00 0.00 H new ATOM 0 HE3 LYS A 73 7.503 0.731 -9.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 6.362 3.074 -9.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.665 1.731 -10.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.070 2.252 -8.914 1.00 0.00 H new ATOM 1080 N GLN A 74 7.981 -4.575 -4.756 1.00 0.00 N ATOM 1081 CA GLN A 74 7.656 -5.957 -4.422 1.00 0.00 C ATOM 1082 C GLN A 74 8.631 -6.511 -3.390 1.00 0.00 C ATOM 1083 O GLN A 74 9.847 -6.442 -3.569 1.00 0.00 O ATOM 1084 CB GLN A 74 7.677 -6.826 -5.680 1.00 0.00 C ATOM 1085 CG GLN A 74 7.673 -8.318 -5.389 1.00 0.00 C ATOM 1086 CD GLN A 74 8.077 -9.149 -6.590 1.00 0.00 C ATOM 1087 OE1 GLN A 74 8.894 -8.723 -7.408 1.00 0.00 O ATOM 1088 NE2 GLN A 74 7.506 -10.343 -6.705 1.00 0.00 N ATOM 0 H GLN A 74 8.977 -4.393 -4.878 1.00 0.00 H new ATOM 0 HA GLN A 74 6.654 -5.975 -3.994 1.00 0.00 H new ATOM 0 HB2 GLN A 74 6.811 -6.582 -6.295 1.00 0.00 H new ATOM 0 HB3 GLN A 74 8.563 -6.581 -6.266 1.00 0.00 H new ATOM 0 HG2 GLN A 74 8.354 -8.525 -4.563 1.00 0.00 H new ATOM 0 HG3 GLN A 74 6.677 -8.618 -5.063 1.00 0.00 H new ATOM 0 HE21 GLN A 74 6.834 -10.657 -6.004 1.00 0.00 H new ATOM 0 HE22 GLN A 74 7.739 -10.946 -7.494 1.00 0.00 H new ATOM 1097 N PHE A 75 8.090 -7.060 -2.307 1.00 0.00 N ATOM 1098 CA PHE A 75 8.913 -7.626 -1.244 1.00 0.00 C ATOM 1099 C PHE A 75 8.324 -8.941 -0.741 1.00 0.00 C ATOM 1100 O PHE A 75 7.139 -9.020 -0.417 1.00 0.00 O ATOM 1101 CB PHE A 75 9.039 -6.634 -0.086 1.00 0.00 C ATOM 1102 CG PHE A 75 9.666 -7.226 1.144 1.00 0.00 C ATOM 1103 CD1 PHE A 75 10.873 -7.901 1.067 1.00 0.00 C ATOM 1104 CD2 PHE A 75 9.047 -7.107 2.378 1.00 0.00 C ATOM 1105 CE1 PHE A 75 11.451 -8.447 2.197 1.00 0.00 C ATOM 1106 CE2 PHE A 75 9.621 -7.651 3.512 1.00 0.00 C ATOM 1107 CZ PHE A 75 10.825 -8.321 3.421 1.00 0.00 C ATOM 0 H PHE A 75 7.085 -7.125 -2.142 1.00 0.00 H new ATOM 0 HA PHE A 75 9.904 -7.826 -1.652 1.00 0.00 H new ATOM 0 HB2 PHE A 75 9.633 -5.780 -0.412 1.00 0.00 H new ATOM 0 HB3 PHE A 75 8.049 -6.255 0.167 1.00 0.00 H new ATOM 0 HD1 PHE A 75 11.368 -8.002 0.113 1.00 0.00 H new ATOM 0 HD2 PHE A 75 8.106 -6.583 2.455 1.00 0.00 H new ATOM 0 HE1 PHE A 75 12.392 -8.972 2.123 1.00 0.00 H new ATOM 0 HE2 PHE A 75 9.128 -7.552 4.468 1.00 0.00 H new ATOM 0 HZ PHE A 75 11.276 -8.746 4.306 1.00 0.00 H new ATOM 1117 N LYS A 76 9.161 -9.971 -0.679 1.00 0.00 N ATOM 1118 CA LYS A 76 8.726 -11.283 -0.216 1.00 0.00 C ATOM 1119 C LYS A 76 9.251 -11.566 1.188 1.00 0.00 C ATOM 1120 O LYS A 76 10.451 -11.759 1.385 1.00 0.00 O ATOM 1121 CB LYS A 76 9.204 -12.372 -1.180 1.00 0.00 C ATOM 1122 CG LYS A 76 8.695 -13.760 -0.831 1.00 0.00 C ATOM 1123 CD LYS A 76 9.588 -14.843 -1.410 1.00 0.00 C ATOM 1124 CE LYS A 76 8.814 -16.128 -1.663 1.00 0.00 C ATOM 1125 NZ LYS A 76 8.157 -16.126 -2.999 1.00 0.00 N ATOM 0 H LYS A 76 10.145 -9.922 -0.944 1.00 0.00 H new ATOM 0 HA LYS A 76 7.636 -11.287 -0.185 1.00 0.00 H new ATOM 0 HB2 LYS A 76 8.881 -12.119 -2.190 1.00 0.00 H new ATOM 0 HB3 LYS A 76 10.294 -12.385 -1.188 1.00 0.00 H new ATOM 0 HG2 LYS A 76 8.646 -13.869 0.252 1.00 0.00 H new ATOM 0 HG3 LYS A 76 7.680 -13.882 -1.210 1.00 0.00 H new ATOM 0 HD2 LYS A 76 10.028 -14.492 -2.344 1.00 0.00 H new ATOM 0 HD3 LYS A 76 10.412 -15.042 -0.724 1.00 0.00 H new ATOM 0 HE2 LYS A 76 9.491 -16.979 -1.593 1.00 0.00 H new ATOM 0 HE3 LYS A 76 8.059 -16.256 -0.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 7.830 -17.087 -3.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 7.344 -15.477 -2.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 8.838 -15.813 -3.720 1.00 0.00 H new ATOM 1139 N ILE A 77 8.345 -11.590 2.160 1.00 0.00 N ATOM 1140 CA ILE A 77 8.718 -11.852 3.544 1.00 0.00 C ATOM 1141 C ILE A 77 8.857 -13.348 3.803 1.00 0.00 C ATOM 1142 O ILE A 77 7.882 -14.097 3.729 1.00 0.00 O ATOM 1143 CB ILE A 77 7.684 -11.267 4.526 1.00 0.00 C ATOM 1144 CG1 ILE A 77 7.670 -9.740 4.435 1.00 0.00 C ATOM 1145 CG2 ILE A 77 7.990 -11.717 5.947 1.00 0.00 C ATOM 1146 CD1 ILE A 77 6.325 -9.128 4.755 1.00 0.00 C ATOM 0 H ILE A 77 7.348 -11.431 2.014 1.00 0.00 H new ATOM 0 HA ILE A 77 9.680 -11.366 3.708 1.00 0.00 H new ATOM 0 HB ILE A 77 6.695 -11.637 4.254 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.416 -9.336 5.120 1.00 0.00 H new ATOM 0 HG13 ILE A 77 7.966 -9.441 3.429 1.00 0.00 H new ATOM 0 HG21 ILE A 77 7.251 -11.296 6.629 1.00 0.00 H new ATOM 0 HG22 ILE A 77 7.954 -12.805 6.000 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.984 -11.373 6.232 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.390 -8.043 4.671 1.00 0.00 H new ATOM 0 HD12 ILE A 77 5.579 -9.503 4.054 1.00 0.00 H new ATOM 0 HD13 ILE A 77 6.036 -9.396 5.771 1.00 0.00 H new ATOM 1158 N THR A 78 10.077 -13.780 4.108 1.00 0.00 N ATOM 1159 CA THR A 78 10.345 -15.187 4.378 1.00 0.00 C ATOM 1160 C THR A 78 10.489 -15.441 5.874 1.00 0.00 C ATOM 1161 O THR A 78 10.362 -14.524 6.686 1.00 0.00 O ATOM 1162 CB THR A 78 11.624 -15.662 3.662 1.00 0.00 C ATOM 1163 OG1 THR A 78 12.703 -14.762 3.937 1.00 0.00 O ATOM 1164 CG2 THR A 78 11.401 -15.753 2.160 1.00 0.00 C ATOM 0 H THR A 78 10.895 -13.175 4.174 1.00 0.00 H new ATOM 0 HA THR A 78 9.494 -15.751 3.997 1.00 0.00 H new ATOM 0 HB THR A 78 11.876 -16.654 4.036 1.00 0.00 H new ATOM 0 HG1 THR A 78 13.512 -15.072 3.480 1.00 0.00 H new ATOM 0 HG21 THR A 78 12.318 -16.090 1.676 1.00 0.00 H new ATOM 0 HG22 THR A 78 10.599 -16.462 1.953 1.00 0.00 H new ATOM 0 HG23 THR A 78 11.126 -14.772 1.773 1.00 0.00 H new ATOM 1172 N LYS A 79 10.755 -16.693 6.233 1.00 0.00 N ATOM 1173 CA LYS A 79 10.918 -17.069 7.633 1.00 0.00 C ATOM 1174 C LYS A 79 9.637 -16.809 8.419 1.00 0.00 C ATOM 1175 O LYS A 79 9.668 -16.205 9.493 1.00 0.00 O ATOM 1176 CB LYS A 79 12.080 -16.294 8.258 1.00 0.00 C ATOM 1177 CG LYS A 79 13.400 -16.488 7.533 1.00 0.00 C ATOM 1178 CD LYS A 79 14.581 -16.350 8.480 1.00 0.00 C ATOM 1179 CE LYS A 79 15.882 -16.137 7.720 1.00 0.00 C ATOM 1180 NZ LYS A 79 16.969 -15.642 8.610 1.00 0.00 N ATOM 0 H LYS A 79 10.862 -17.464 5.574 1.00 0.00 H new ATOM 0 HA LYS A 79 11.137 -18.136 7.674 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.834 -15.232 8.269 1.00 0.00 H new ATOM 0 HB3 LYS A 79 12.196 -16.605 9.296 1.00 0.00 H new ATOM 0 HG2 LYS A 79 13.419 -17.473 7.067 1.00 0.00 H new ATOM 0 HG3 LYS A 79 13.487 -15.755 6.731 1.00 0.00 H new ATOM 0 HD2 LYS A 79 14.411 -15.511 9.155 1.00 0.00 H new ATOM 0 HD3 LYS A 79 14.661 -17.245 9.097 1.00 0.00 H new ATOM 0 HE2 LYS A 79 16.190 -17.075 7.257 1.00 0.00 H new ATOM 0 HE3 LYS A 79 15.719 -15.422 6.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 17.839 -15.509 8.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 16.686 -14.735 9.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 17.143 -16.336 9.365 1.00 0.00 H new ATOM 1194 N LEU A 80 8.513 -17.268 7.880 1.00 0.00 N ATOM 1195 CA LEU A 80 7.222 -17.086 8.532 1.00 0.00 C ATOM 1196 C LEU A 80 6.623 -18.429 8.938 1.00 0.00 C ATOM 1197 O LEU A 80 7.257 -19.473 8.789 1.00 0.00 O ATOM 1198 CB LEU A 80 6.258 -16.346 7.603 1.00 0.00 C ATOM 1199 CG LEU A 80 6.620 -14.896 7.279 1.00 0.00 C ATOM 1200 CD1 LEU A 80 5.477 -14.212 6.545 1.00 0.00 C ATOM 1201 CD2 LEU A 80 6.970 -14.136 8.550 1.00 0.00 C ATOM 0 H LEU A 80 8.470 -17.769 6.993 1.00 0.00 H new ATOM 0 HA LEU A 80 7.379 -16.491 9.432 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.189 -16.900 6.667 1.00 0.00 H new ATOM 0 HB3 LEU A 80 5.266 -16.360 8.055 1.00 0.00 H new ATOM 0 HG LEU A 80 7.494 -14.897 6.628 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.753 -13.181 6.323 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.273 -14.742 5.614 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.585 -14.222 7.171 1.00 0.00 H new ATOM 0 HD21 LEU A 80 7.225 -13.106 8.300 1.00 0.00 H new ATOM 0 HD22 LEU A 80 6.115 -14.144 9.226 1.00 0.00 H new ATOM 0 HD23 LEU A 80 7.821 -14.613 9.036 1.00 0.00 H new ATOM 1213 N SER A 81 5.396 -18.394 9.450 1.00 0.00 N ATOM 1214 CA SER A 81 4.712 -19.608 9.879 1.00 0.00 C ATOM 1215 C SER A 81 3.314 -19.686 9.274 1.00 0.00 C ATOM 1216 O SER A 81 2.677 -18.672 8.986 1.00 0.00 O ATOM 1217 CB SER A 81 4.624 -19.657 11.406 1.00 0.00 C ATOM 1218 OG SER A 81 3.991 -18.496 11.917 1.00 0.00 O ATOM 0 H SER A 81 4.856 -17.538 9.578 1.00 0.00 H new ATOM 0 HA SER A 81 5.289 -20.464 9.528 1.00 0.00 H new ATOM 0 HB2 SER A 81 4.069 -20.543 11.713 1.00 0.00 H new ATOM 0 HB3 SER A 81 5.625 -19.745 11.829 1.00 0.00 H new ATOM 0 HG SER A 81 3.945 -18.552 12.894 1.00 0.00 H new ATOM 1224 N PRO A 82 2.823 -20.918 9.077 1.00 0.00 N ATOM 1225 CA PRO A 82 1.495 -21.160 8.506 1.00 0.00 C ATOM 1226 C PRO A 82 0.373 -20.759 9.457 1.00 0.00 C ATOM 1227 O PRO A 82 0.501 -20.892 10.674 1.00 0.00 O ATOM 1228 CB PRO A 82 1.480 -22.672 8.268 1.00 0.00 C ATOM 1229 CG PRO A 82 2.458 -23.219 9.250 1.00 0.00 C ATOM 1230 CD PRO A 82 3.527 -22.172 9.398 1.00 0.00 C ATOM 0 HA PRO A 82 1.326 -20.572 7.604 1.00 0.00 H new ATOM 0 HB2 PRO A 82 0.485 -23.088 8.426 1.00 0.00 H new ATOM 0 HB3 PRO A 82 1.768 -22.915 7.245 1.00 0.00 H new ATOM 0 HG2 PRO A 82 1.977 -23.424 10.207 1.00 0.00 H new ATOM 0 HG3 PRO A 82 2.880 -24.160 8.897 1.00 0.00 H new ATOM 0 HD2 PRO A 82 3.937 -22.156 10.408 1.00 0.00 H new ATOM 0 HD3 PRO A 82 4.361 -22.350 8.719 1.00 0.00 H new ATOM 1238 N ALA A 83 -0.727 -20.268 8.895 1.00 0.00 N ATOM 1239 CA ALA A 83 -1.872 -19.850 9.694 1.00 0.00 C ATOM 1240 C ALA A 83 -1.506 -18.692 10.615 1.00 0.00 C ATOM 1241 O ALA A 83 -1.921 -18.653 11.773 1.00 0.00 O ATOM 1242 CB ALA A 83 -2.407 -21.023 10.503 1.00 0.00 C ATOM 0 H ALA A 83 -0.849 -20.150 7.889 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.652 -19.506 9.015 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -3.262 -20.697 11.095 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.717 -21.820 9.827 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.626 -21.393 11.167 1.00 0.00 H new ATOM 1248 N MET A 84 -0.725 -17.751 10.094 1.00 0.00 N ATOM 1249 CA MET A 84 -0.304 -16.591 10.871 1.00 0.00 C ATOM 1250 C MET A 84 -0.853 -15.303 10.267 1.00 0.00 C ATOM 1251 O MET A 84 -0.236 -14.707 9.386 1.00 0.00 O ATOM 1252 CB MET A 84 1.223 -16.525 10.941 1.00 0.00 C ATOM 1253 CG MET A 84 1.749 -15.216 11.507 1.00 0.00 C ATOM 1254 SD MET A 84 3.485 -14.934 11.106 1.00 0.00 S ATOM 1255 CE MET A 84 3.334 -14.003 9.583 1.00 0.00 C ATOM 0 H MET A 84 -0.371 -17.769 9.138 1.00 0.00 H new ATOM 0 HA MET A 84 -0.703 -16.696 11.880 1.00 0.00 H new ATOM 0 HB2 MET A 84 1.586 -17.349 11.555 1.00 0.00 H new ATOM 0 HB3 MET A 84 1.631 -16.669 9.941 1.00 0.00 H new ATOM 0 HG2 MET A 84 1.152 -14.391 11.119 1.00 0.00 H new ATOM 0 HG3 MET A 84 1.626 -15.217 12.590 1.00 0.00 H new ATOM 0 HE1 MET A 84 4.282 -13.514 9.360 1.00 0.00 H new ATOM 0 HE2 MET A 84 3.073 -14.678 8.768 1.00 0.00 H new ATOM 0 HE3 MET A 84 2.554 -13.249 9.693 1.00 0.00 H new ATOM 1265 N GLY A 85 -2.019 -14.879 10.747 1.00 0.00 N ATOM 1266 CA GLY A 85 -2.631 -13.665 10.242 1.00 0.00 C ATOM 1267 C GLY A 85 -1.760 -12.443 10.456 1.00 0.00 C ATOM 1268 O GLY A 85 -1.483 -12.062 11.594 1.00 0.00 O ATOM 0 H GLY A 85 -2.550 -15.355 11.476 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -2.834 -13.780 9.177 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.591 -13.514 10.735 1.00 0.00 H new ATOM 1272 N CYS A 86 -1.325 -11.830 9.361 1.00 0.00 N ATOM 1273 CA CYS A 86 -0.477 -10.645 9.434 1.00 0.00 C ATOM 1274 C CYS A 86 -1.035 -9.522 8.566 1.00 0.00 C ATOM 1275 O CYS A 86 -1.432 -9.745 7.422 1.00 0.00 O ATOM 1276 CB CYS A 86 0.948 -10.985 8.996 1.00 0.00 C ATOM 1277 SG CYS A 86 1.040 -12.218 7.676 1.00 0.00 S ATOM 0 H CYS A 86 -1.545 -12.133 8.412 1.00 0.00 H new ATOM 0 HA CYS A 86 -0.460 -10.304 10.469 1.00 0.00 H new ATOM 0 HB2 CYS A 86 1.441 -10.072 8.661 1.00 0.00 H new ATOM 0 HB3 CYS A 86 1.505 -11.350 9.859 1.00 0.00 H new ATOM 0 HG CYS A 86 0.966 -11.624 6.522 1.00 0.00 H new ATOM 1283 N LYS A 87 -1.065 -8.314 9.118 1.00 0.00 N ATOM 1284 CA LYS A 87 -1.575 -7.154 8.396 1.00 0.00 C ATOM 1285 C LYS A 87 -0.436 -6.369 7.753 1.00 0.00 C ATOM 1286 O LYS A 87 0.702 -6.412 8.221 1.00 0.00 O ATOM 1287 CB LYS A 87 -2.365 -6.246 9.340 1.00 0.00 C ATOM 1288 CG LYS A 87 -3.667 -6.860 9.827 1.00 0.00 C ATOM 1289 CD LYS A 87 -4.528 -5.840 10.552 1.00 0.00 C ATOM 1290 CE LYS A 87 -5.684 -6.505 11.283 1.00 0.00 C ATOM 1291 NZ LYS A 87 -6.683 -5.510 11.762 1.00 0.00 N ATOM 0 H LYS A 87 -0.742 -8.112 10.064 1.00 0.00 H new ATOM 0 HA LYS A 87 -2.237 -7.511 7.607 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.743 -6.003 10.202 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -2.584 -5.308 8.830 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -4.219 -7.266 8.979 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.450 -7.694 10.494 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -3.916 -5.286 11.264 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -4.917 -5.116 9.836 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -6.172 -7.218 10.619 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -5.300 -7.071 12.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -7.455 -6.003 12.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -6.224 -4.844 12.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -7.069 -4.987 10.950 1.00 0.00 H new ATOM 1305 N PHE A 88 -0.750 -5.651 6.680 1.00 0.00 N ATOM 1306 CA PHE A 88 0.248 -4.855 5.974 1.00 0.00 C ATOM 1307 C PHE A 88 -0.356 -3.547 5.472 1.00 0.00 C ATOM 1308 O PHE A 88 -1.554 -3.467 5.201 1.00 0.00 O ATOM 1309 CB PHE A 88 0.824 -5.648 4.799 1.00 0.00 C ATOM 1310 CG PHE A 88 1.290 -7.025 5.175 1.00 0.00 C ATOM 1311 CD1 PHE A 88 0.382 -8.062 5.318 1.00 0.00 C ATOM 1312 CD2 PHE A 88 2.634 -7.283 5.387 1.00 0.00 C ATOM 1313 CE1 PHE A 88 0.806 -9.331 5.664 1.00 0.00 C ATOM 1314 CE2 PHE A 88 3.065 -8.550 5.732 1.00 0.00 C ATOM 1315 CZ PHE A 88 2.150 -9.575 5.873 1.00 0.00 C ATOM 0 H PHE A 88 -1.687 -5.604 6.280 1.00 0.00 H new ATOM 0 HA PHE A 88 1.050 -4.619 6.673 1.00 0.00 H new ATOM 0 HB2 PHE A 88 0.066 -5.730 4.020 1.00 0.00 H new ATOM 0 HB3 PHE A 88 1.660 -5.094 4.373 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -0.670 -7.876 5.157 1.00 0.00 H new ATOM 0 HD2 PHE A 88 3.354 -6.485 5.281 1.00 0.00 H new ATOM 0 HE1 PHE A 88 0.088 -10.131 5.771 1.00 0.00 H new ATOM 0 HE2 PHE A 88 4.116 -8.738 5.891 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.484 -10.565 6.146 1.00 0.00 H new ATOM 1325 N ARG A 89 0.483 -2.523 5.353 1.00 0.00 N ATOM 1326 CA ARG A 89 0.033 -1.217 4.886 1.00 0.00 C ATOM 1327 C ARG A 89 1.114 -0.535 4.054 1.00 0.00 C ATOM 1328 O ARG A 89 2.294 -0.558 4.410 1.00 0.00 O ATOM 1329 CB ARG A 89 -0.348 -0.331 6.073 1.00 0.00 C ATOM 1330 CG ARG A 89 0.740 -0.226 7.129 1.00 0.00 C ATOM 1331 CD ARG A 89 0.231 0.456 8.389 1.00 0.00 C ATOM 1332 NE ARG A 89 1.311 0.752 9.326 1.00 0.00 N ATOM 1333 CZ ARG A 89 1.225 1.673 10.280 1.00 0.00 C ATOM 1334 NH1 ARG A 89 0.114 2.383 10.422 1.00 0.00 N ATOM 1335 NH2 ARG A 89 2.251 1.884 11.094 1.00 0.00 N ATOM 0 H ARG A 89 1.478 -2.573 5.573 1.00 0.00 H new ATOM 0 HA ARG A 89 -0.844 -1.366 4.257 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -0.586 0.668 5.708 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -1.253 -0.726 6.534 1.00 0.00 H new ATOM 0 HG2 ARG A 89 1.106 -1.223 7.376 1.00 0.00 H new ATOM 0 HG3 ARG A 89 1.585 0.333 6.728 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -0.279 1.381 8.120 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -0.505 -0.184 8.875 1.00 0.00 H new ATOM 0 HE ARG A 89 2.179 0.223 9.244 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -0.677 2.223 9.798 1.00 0.00 H new ATOM 0 HH12 ARG A 89 0.050 3.089 11.155 1.00 0.00 H new ATOM 0 HH21 ARG A 89 3.107 1.339 10.988 1.00 0.00 H new ATOM 0 HH22 ARG A 89 2.184 2.591 11.826 1.00 0.00 H new ATOM 1349 N LEU A 90 0.706 0.073 2.946 1.00 0.00 N ATOM 1350 CA LEU A 90 1.640 0.762 2.062 1.00 0.00 C ATOM 1351 C LEU A 90 1.417 2.271 2.104 1.00 0.00 C ATOM 1352 O LEU A 90 0.281 2.738 2.179 1.00 0.00 O ATOM 1353 CB LEU A 90 1.487 0.252 0.628 1.00 0.00 C ATOM 1354 CG LEU A 90 2.378 0.920 -0.420 1.00 0.00 C ATOM 1355 CD1 LEU A 90 3.785 0.347 -0.368 1.00 0.00 C ATOM 1356 CD2 LEU A 90 1.783 0.752 -1.811 1.00 0.00 C ATOM 0 H LEU A 90 -0.266 0.103 2.638 1.00 0.00 H new ATOM 0 HA LEU A 90 2.652 0.553 2.409 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.691 -0.819 0.621 1.00 0.00 H new ATOM 0 HB3 LEU A 90 0.447 0.380 0.327 1.00 0.00 H new ATOM 0 HG LEU A 90 2.433 1.985 -0.196 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.404 0.834 -1.121 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.212 0.519 0.620 1.00 0.00 H new ATOM 0 HD13 LEU A 90 3.749 -0.724 -0.566 1.00 0.00 H new ATOM 0 HD21 LEU A 90 2.430 1.233 -2.544 1.00 0.00 H new ATOM 0 HD22 LEU A 90 1.697 -0.309 -2.044 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.795 1.211 -1.842 1.00 0.00 H new ATOM 1368 N SER A 91 2.509 3.027 2.054 1.00 0.00 N ATOM 1369 CA SER A 91 2.433 4.483 2.088 1.00 0.00 C ATOM 1370 C SER A 91 3.610 5.106 1.344 1.00 0.00 C ATOM 1371 O SER A 91 4.712 4.558 1.333 1.00 0.00 O ATOM 1372 CB SER A 91 2.409 4.980 3.535 1.00 0.00 C ATOM 1373 OG SER A 91 3.358 4.288 4.327 1.00 0.00 O ATOM 0 H SER A 91 3.457 2.656 1.990 1.00 0.00 H new ATOM 0 HA SER A 91 1.511 4.786 1.592 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.621 6.049 3.559 1.00 0.00 H new ATOM 0 HB3 SER A 91 1.412 4.843 3.954 1.00 0.00 H new ATOM 0 HG SER A 91 2.900 3.840 5.069 1.00 0.00 H new ATOM 1379 N ALA A 92 3.367 6.255 0.722 1.00 0.00 N ATOM 1380 CA ALA A 92 4.407 6.954 -0.023 1.00 0.00 C ATOM 1381 C ALA A 92 4.895 8.183 0.737 1.00 0.00 C ATOM 1382 O ALA A 92 4.119 8.851 1.420 1.00 0.00 O ATOM 1383 CB ALA A 92 3.892 7.353 -1.398 1.00 0.00 C ATOM 0 H ALA A 92 2.460 6.721 0.719 1.00 0.00 H new ATOM 0 HA ALA A 92 5.251 6.275 -0.145 1.00 0.00 H new ATOM 0 HB1 ALA A 92 4.678 7.874 -1.944 1.00 0.00 H new ATOM 0 HB2 ALA A 92 3.598 6.460 -1.950 1.00 0.00 H new ATOM 0 HB3 ALA A 92 3.030 8.011 -1.287 1.00 0.00 H new ATOM 1389 N ARG A 93 6.186 8.474 0.615 1.00 0.00 N ATOM 1390 CA ARG A 93 6.778 9.621 1.293 1.00 0.00 C ATOM 1391 C ARG A 93 7.662 10.419 0.339 1.00 0.00 C ATOM 1392 O ARG A 93 8.522 9.860 -0.340 1.00 0.00 O ATOM 1393 CB ARG A 93 7.598 9.160 2.500 1.00 0.00 C ATOM 1394 CG ARG A 93 8.684 10.141 2.909 1.00 0.00 C ATOM 1395 CD ARG A 93 9.455 9.645 4.122 1.00 0.00 C ATOM 1396 NE ARG A 93 10.180 10.723 4.789 1.00 0.00 N ATOM 1397 CZ ARG A 93 11.109 10.520 5.716 1.00 0.00 C ATOM 1398 NH1 ARG A 93 11.426 9.286 6.083 1.00 0.00 N ATOM 1399 NH2 ARG A 93 11.725 11.553 6.277 1.00 0.00 N ATOM 0 H ARG A 93 6.842 7.931 0.053 1.00 0.00 H new ATOM 0 HA ARG A 93 5.969 10.266 1.637 1.00 0.00 H new ATOM 0 HB2 ARG A 93 6.928 9.000 3.344 1.00 0.00 H new ATOM 0 HB3 ARG A 93 8.057 8.198 2.271 1.00 0.00 H new ATOM 0 HG2 ARG A 93 9.371 10.292 2.077 1.00 0.00 H new ATOM 0 HG3 ARG A 93 8.236 11.109 3.132 1.00 0.00 H new ATOM 0 HD2 ARG A 93 8.764 9.183 4.827 1.00 0.00 H new ATOM 0 HD3 ARG A 93 10.159 8.872 3.813 1.00 0.00 H new ATOM 0 HE ARG A 93 9.961 11.685 4.529 1.00 0.00 H new ATOM 0 HH11 ARG A 93 10.956 8.489 5.653 1.00 0.00 H new ATOM 0 HH12 ARG A 93 12.140 9.133 6.795 1.00 0.00 H new ATOM 0 HH21 ARG A 93 11.485 12.504 5.996 1.00 0.00 H new ATOM 0 HH22 ARG A 93 12.438 11.396 6.989 1.00 0.00 H new ATOM 1413 N ASN A 94 7.443 11.729 0.294 1.00 0.00 N ATOM 1414 CA ASN A 94 8.218 12.604 -0.577 1.00 0.00 C ATOM 1415 C ASN A 94 9.016 13.617 0.239 1.00 0.00 C ATOM 1416 O ASN A 94 9.003 13.585 1.470 1.00 0.00 O ATOM 1417 CB ASN A 94 7.295 13.335 -1.554 1.00 0.00 C ATOM 1418 CG ASN A 94 6.262 14.189 -0.845 1.00 0.00 C ATOM 1419 OD1 ASN A 94 6.178 14.189 0.383 1.00 0.00 O ATOM 1420 ND2 ASN A 94 5.468 14.921 -1.618 1.00 0.00 N ATOM 0 H ASN A 94 6.735 12.208 0.851 1.00 0.00 H new ATOM 0 HA ASN A 94 8.917 11.986 -1.141 1.00 0.00 H new ATOM 0 HB2 ASN A 94 7.893 13.965 -2.212 1.00 0.00 H new ATOM 0 HB3 ASN A 94 6.788 12.605 -2.185 1.00 0.00 H new ATOM 0 HD21 ASN A 94 4.753 15.514 -1.198 1.00 0.00 H new ATOM 0 HD22 ASN A 94 5.573 14.890 -2.632 1.00 0.00 H new ATOM 1427 N ASP A 95 9.707 14.514 -0.454 1.00 0.00 N ATOM 1428 CA ASP A 95 10.509 15.538 0.206 1.00 0.00 C ATOM 1429 C ASP A 95 9.739 16.172 1.359 1.00 0.00 C ATOM 1430 O ASP A 95 10.320 16.535 2.382 1.00 0.00 O ATOM 1431 CB ASP A 95 10.928 16.614 -0.797 1.00 0.00 C ATOM 1432 CG ASP A 95 11.619 16.033 -2.015 1.00 0.00 C ATOM 1433 OD1 ASP A 95 10.950 15.323 -2.795 1.00 0.00 O ATOM 1434 OD2 ASP A 95 12.829 16.289 -2.189 1.00 0.00 O ATOM 0 H ASP A 95 9.728 14.553 -1.473 1.00 0.00 H new ATOM 0 HA ASP A 95 11.402 15.061 0.609 1.00 0.00 H new ATOM 0 HB2 ASP A 95 10.048 17.173 -1.114 1.00 0.00 H new ATOM 0 HB3 ASP A 95 11.596 17.323 -0.307 1.00 0.00 H new ATOM 1439 N TYR A 96 8.428 16.304 1.187 1.00 0.00 N ATOM 1440 CA TYR A 96 7.578 16.898 2.212 1.00 0.00 C ATOM 1441 C TYR A 96 7.439 15.966 3.411 1.00 0.00 C ATOM 1442 O TYR A 96 7.982 16.229 4.483 1.00 0.00 O ATOM 1443 CB TYR A 96 6.197 17.217 1.637 1.00 0.00 C ATOM 1444 CG TYR A 96 6.222 18.267 0.549 1.00 0.00 C ATOM 1445 CD1 TYR A 96 6.437 17.916 -0.778 1.00 0.00 C ATOM 1446 CD2 TYR A 96 6.029 19.610 0.848 1.00 0.00 C ATOM 1447 CE1 TYR A 96 6.461 18.872 -1.775 1.00 0.00 C ATOM 1448 CE2 TYR A 96 6.050 20.573 -0.142 1.00 0.00 C ATOM 1449 CZ TYR A 96 6.267 20.199 -1.452 1.00 0.00 C ATOM 1450 OH TYR A 96 6.289 21.154 -2.442 1.00 0.00 O ATOM 0 H TYR A 96 7.931 16.007 0.347 1.00 0.00 H new ATOM 0 HA TYR A 96 8.048 17.823 2.546 1.00 0.00 H new ATOM 0 HB2 TYR A 96 5.759 16.302 1.238 1.00 0.00 H new ATOM 0 HB3 TYR A 96 5.547 17.556 2.443 1.00 0.00 H new ATOM 0 HD1 TYR A 96 6.588 16.878 -1.035 1.00 0.00 H new ATOM 0 HD2 TYR A 96 5.860 19.906 1.873 1.00 0.00 H new ATOM 0 HE1 TYR A 96 6.631 18.582 -2.801 1.00 0.00 H new ATOM 0 HE2 TYR A 96 5.897 21.613 0.108 1.00 0.00 H new ATOM 0 HH TYR A 96 6.135 22.038 -2.047 1.00 0.00 H new ATOM 1460 N GLY A 97 6.706 14.873 3.222 1.00 0.00 N ATOM 1461 CA GLY A 97 6.508 13.917 4.295 1.00 0.00 C ATOM 1462 C GLY A 97 5.891 12.620 3.811 1.00 0.00 C ATOM 1463 O GLY A 97 5.896 12.330 2.614 1.00 0.00 O ATOM 0 H GLY A 97 6.246 14.633 2.344 1.00 0.00 H new ATOM 0 HA2 GLY A 97 7.466 13.705 4.769 1.00 0.00 H new ATOM 0 HA3 GLY A 97 5.866 14.359 5.057 1.00 0.00 H new ATOM 1467 N THR A 98 5.358 11.835 4.742 1.00 0.00 N ATOM 1468 CA THR A 98 4.737 10.561 4.404 1.00 0.00 C ATOM 1469 C THR A 98 3.217 10.677 4.387 1.00 0.00 C ATOM 1470 O THR A 98 2.614 11.200 5.324 1.00 0.00 O ATOM 1471 CB THR A 98 5.144 9.456 5.397 1.00 0.00 C ATOM 1472 OG1 THR A 98 6.561 9.483 5.606 1.00 0.00 O ATOM 1473 CG2 THR A 98 4.729 8.086 4.883 1.00 0.00 C ATOM 0 H THR A 98 5.344 12.060 5.737 1.00 0.00 H new ATOM 0 HA THR A 98 5.090 10.293 3.408 1.00 0.00 H new ATOM 0 HB THR A 98 4.633 9.642 6.342 1.00 0.00 H new ATOM 0 HG1 THR A 98 6.812 8.779 6.240 1.00 0.00 H new ATOM 0 HG21 THR A 98 5.027 7.322 5.601 1.00 0.00 H new ATOM 0 HG22 THR A 98 3.647 8.059 4.752 1.00 0.00 H new ATOM 0 HG23 THR A 98 5.215 7.894 3.926 1.00 0.00 H new ATOM 1481 N SER A 99 2.603 10.186 3.315 1.00 0.00 N ATOM 1482 CA SER A 99 1.152 10.238 3.175 1.00 0.00 C ATOM 1483 C SER A 99 0.487 9.139 3.998 1.00 0.00 C ATOM 1484 O SER A 99 1.118 8.143 4.349 1.00 0.00 O ATOM 1485 CB SER A 99 0.756 10.100 1.704 1.00 0.00 C ATOM 1486 OG SER A 99 -0.538 9.537 1.575 1.00 0.00 O ATOM 0 H SER A 99 3.087 9.748 2.531 1.00 0.00 H new ATOM 0 HA SER A 99 0.810 11.204 3.547 1.00 0.00 H new ATOM 0 HB2 SER A 99 0.780 11.079 1.224 1.00 0.00 H new ATOM 0 HB3 SER A 99 1.482 9.473 1.186 1.00 0.00 H new ATOM 0 HG SER A 99 -1.190 10.250 1.407 1.00 0.00 H new ATOM 1492 N GLY A 100 -0.794 9.328 4.302 1.00 0.00 N ATOM 1493 CA GLY A 100 -1.524 8.346 5.081 1.00 0.00 C ATOM 1494 C GLY A 100 -1.211 6.923 4.661 1.00 0.00 C ATOM 1495 O GLY A 100 -0.684 6.691 3.573 1.00 0.00 O ATOM 0 H GLY A 100 -1.339 10.144 4.022 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -1.282 8.471 6.136 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -2.594 8.526 4.976 1.00 0.00 H new ATOM 1499 N PHE A 101 -1.534 5.968 5.527 1.00 0.00 N ATOM 1500 CA PHE A 101 -1.280 4.560 5.241 1.00 0.00 C ATOM 1501 C PHE A 101 -2.507 3.904 4.615 1.00 0.00 C ATOM 1502 O PHE A 101 -3.636 4.132 5.048 1.00 0.00 O ATOM 1503 CB PHE A 101 -0.890 3.821 6.522 1.00 0.00 C ATOM 1504 CG PHE A 101 0.510 4.114 6.981 1.00 0.00 C ATOM 1505 CD1 PHE A 101 0.784 5.243 7.735 1.00 0.00 C ATOM 1506 CD2 PHE A 101 1.552 3.259 6.658 1.00 0.00 C ATOM 1507 CE1 PHE A 101 2.071 5.516 8.159 1.00 0.00 C ATOM 1508 CE2 PHE A 101 2.841 3.526 7.080 1.00 0.00 C ATOM 1509 CZ PHE A 101 3.101 4.657 7.830 1.00 0.00 C ATOM 0 H PHE A 101 -1.972 6.143 6.432 1.00 0.00 H new ATOM 0 HA PHE A 101 -0.455 4.501 4.531 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -1.588 4.091 7.315 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -0.993 2.748 6.359 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -0.018 5.918 7.995 1.00 0.00 H new ATOM 0 HD2 PHE A 101 1.355 2.375 6.070 1.00 0.00 H new ATOM 0 HE1 PHE A 101 2.271 6.400 8.747 1.00 0.00 H new ATOM 0 HE2 PHE A 101 3.644 2.851 6.824 1.00 0.00 H new ATOM 0 HZ PHE A 101 4.108 4.869 8.158 1.00 0.00 H new ATOM 1519 N SER A 102 -2.276 3.087 3.592 1.00 0.00 N ATOM 1520 CA SER A 102 -3.361 2.399 2.902 1.00 0.00 C ATOM 1521 C SER A 102 -4.243 1.645 3.892 1.00 0.00 C ATOM 1522 O SER A 102 -3.902 1.513 5.067 1.00 0.00 O ATOM 1523 CB SER A 102 -2.799 1.430 1.861 1.00 0.00 C ATOM 1524 OG SER A 102 -2.117 0.353 2.482 1.00 0.00 O ATOM 0 H SER A 102 -1.347 2.885 3.223 1.00 0.00 H new ATOM 0 HA SER A 102 -3.970 3.149 2.398 1.00 0.00 H new ATOM 0 HB2 SER A 102 -3.610 1.043 1.244 1.00 0.00 H new ATOM 0 HB3 SER A 102 -2.118 1.961 1.196 1.00 0.00 H new ATOM 0 HG SER A 102 -2.440 -0.495 2.112 1.00 0.00 H new ATOM 1530 N GLU A 103 -5.378 1.151 3.408 1.00 0.00 N ATOM 1531 CA GLU A 103 -6.309 0.411 4.250 1.00 0.00 C ATOM 1532 C GLU A 103 -5.677 -0.885 4.752 1.00 0.00 C ATOM 1533 O GLU A 103 -5.258 -1.729 3.961 1.00 0.00 O ATOM 1534 CB GLU A 103 -7.593 0.099 3.478 1.00 0.00 C ATOM 1535 CG GLU A 103 -8.547 1.277 3.383 1.00 0.00 C ATOM 1536 CD GLU A 103 -9.918 0.878 2.872 1.00 0.00 C ATOM 1537 OE1 GLU A 103 -10.015 0.461 1.699 1.00 0.00 O ATOM 1538 OE2 GLU A 103 -10.893 0.982 3.645 1.00 0.00 O ATOM 0 H GLU A 103 -5.675 1.250 2.437 1.00 0.00 H new ATOM 0 HA GLU A 103 -6.553 1.033 5.111 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -7.332 -0.228 2.472 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -8.104 -0.734 3.961 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -8.649 1.737 4.366 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -8.122 2.031 2.721 1.00 0.00 H new ATOM 1545 N GLU A 104 -5.613 -1.032 6.072 1.00 0.00 N ATOM 1546 CA GLU A 104 -5.030 -2.224 6.679 1.00 0.00 C ATOM 1547 C GLU A 104 -5.570 -3.489 6.019 1.00 0.00 C ATOM 1548 O GLU A 104 -6.772 -3.752 6.045 1.00 0.00 O ATOM 1549 CB GLU A 104 -5.323 -2.253 8.180 1.00 0.00 C ATOM 1550 CG GLU A 104 -4.457 -1.302 8.988 1.00 0.00 C ATOM 1551 CD GLU A 104 -4.942 -1.141 10.416 1.00 0.00 C ATOM 1552 OE1 GLU A 104 -5.599 -2.072 10.927 1.00 0.00 O ATOM 1553 OE2 GLU A 104 -4.664 -0.086 11.022 1.00 0.00 O ATOM 0 H GLU A 104 -5.957 -0.342 6.740 1.00 0.00 H new ATOM 0 HA GLU A 104 -3.951 -2.188 6.528 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -6.371 -2.002 8.342 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -5.177 -3.268 8.551 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -3.431 -1.669 8.996 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -4.443 -0.327 8.501 1.00 0.00 H new ATOM 1560 N VAL A 105 -4.672 -4.271 5.428 1.00 0.00 N ATOM 1561 CA VAL A 105 -5.056 -5.509 4.761 1.00 0.00 C ATOM 1562 C VAL A 105 -4.616 -6.726 5.567 1.00 0.00 C ATOM 1563 O VAL A 105 -3.430 -6.900 5.852 1.00 0.00 O ATOM 1564 CB VAL A 105 -4.451 -5.597 3.348 1.00 0.00 C ATOM 1565 CG1 VAL A 105 -4.946 -4.448 2.482 1.00 0.00 C ATOM 1566 CG2 VAL A 105 -2.932 -5.606 3.418 1.00 0.00 C ATOM 0 H VAL A 105 -3.673 -4.069 5.398 1.00 0.00 H new ATOM 0 HA VAL A 105 -6.143 -5.502 4.682 1.00 0.00 H new ATOM 0 HB VAL A 105 -4.776 -6.531 2.891 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -4.508 -4.527 1.487 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -6.032 -4.493 2.404 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -4.653 -3.500 2.933 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -2.522 -5.669 2.410 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -2.584 -4.690 3.895 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -2.600 -6.466 3.999 1.00 0.00 H new ATOM 1576 N LEU A 106 -5.578 -7.567 5.931 1.00 0.00 N ATOM 1577 CA LEU A 106 -5.290 -8.770 6.705 1.00 0.00 C ATOM 1578 C LEU A 106 -5.046 -9.963 5.786 1.00 0.00 C ATOM 1579 O LEU A 106 -5.933 -10.375 5.038 1.00 0.00 O ATOM 1580 CB LEU A 106 -6.446 -9.075 7.659 1.00 0.00 C ATOM 1581 CG LEU A 106 -6.272 -10.303 8.553 1.00 0.00 C ATOM 1582 CD1 LEU A 106 -5.102 -10.110 9.505 1.00 0.00 C ATOM 1583 CD2 LEU A 106 -7.551 -10.585 9.328 1.00 0.00 C ATOM 0 H LEU A 106 -6.564 -7.438 5.703 1.00 0.00 H new ATOM 0 HA LEU A 106 -4.385 -8.591 7.286 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -6.603 -8.205 8.297 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -7.353 -9.206 7.069 1.00 0.00 H new ATOM 0 HG LEU A 106 -6.059 -11.163 7.918 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -4.994 -10.994 10.133 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -4.188 -9.958 8.932 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -5.285 -9.239 10.134 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -7.408 -11.462 9.959 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -7.795 -9.725 9.952 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -8.367 -10.770 8.629 1.00 0.00 H new ATOM 1595 N TYR A 107 -3.839 -10.514 5.849 1.00 0.00 N ATOM 1596 CA TYR A 107 -3.478 -11.660 5.022 1.00 0.00 C ATOM 1597 C TYR A 107 -3.029 -12.835 5.886 1.00 0.00 C ATOM 1598 O TYR A 107 -2.344 -12.654 6.893 1.00 0.00 O ATOM 1599 CB TYR A 107 -2.368 -11.278 4.042 1.00 0.00 C ATOM 1600 CG TYR A 107 -2.873 -10.607 2.786 1.00 0.00 C ATOM 1601 CD1 TYR A 107 -3.620 -11.311 1.850 1.00 0.00 C ATOM 1602 CD2 TYR A 107 -2.602 -9.267 2.533 1.00 0.00 C ATOM 1603 CE1 TYR A 107 -4.084 -10.702 0.700 1.00 0.00 C ATOM 1604 CE2 TYR A 107 -3.062 -8.649 1.387 1.00 0.00 C ATOM 1605 CZ TYR A 107 -3.803 -9.371 0.473 1.00 0.00 C ATOM 1606 OH TYR A 107 -4.262 -8.759 -0.671 1.00 0.00 O ATOM 0 H TYR A 107 -3.094 -10.186 6.464 1.00 0.00 H new ATOM 0 HA TYR A 107 -4.361 -11.963 4.459 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -1.666 -10.611 4.543 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -1.814 -12.175 3.767 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -3.842 -12.353 2.024 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -2.022 -8.699 3.245 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -4.663 -11.265 -0.017 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -2.843 -7.607 1.207 1.00 0.00 H new ATOM 0 HH TYR A 107 -4.418 -7.808 -0.493 1.00 0.00 H new ATOM 1616 N TYR A 108 -3.420 -14.039 5.483 1.00 0.00 N ATOM 1617 CA TYR A 108 -3.060 -15.244 6.220 1.00 0.00 C ATOM 1618 C TYR A 108 -2.210 -16.175 5.360 1.00 0.00 C ATOM 1619 O TYR A 108 -2.621 -16.585 4.274 1.00 0.00 O ATOM 1620 CB TYR A 108 -4.319 -15.975 6.691 1.00 0.00 C ATOM 1621 CG TYR A 108 -4.778 -15.561 8.071 1.00 0.00 C ATOM 1622 CD1 TYR A 108 -5.259 -14.279 8.309 1.00 0.00 C ATOM 1623 CD2 TYR A 108 -4.732 -16.451 9.136 1.00 0.00 C ATOM 1624 CE1 TYR A 108 -5.679 -13.896 9.568 1.00 0.00 C ATOM 1625 CE2 TYR A 108 -5.152 -16.077 10.398 1.00 0.00 C ATOM 1626 CZ TYR A 108 -5.624 -14.799 10.609 1.00 0.00 C ATOM 1627 OH TYR A 108 -6.042 -14.422 11.865 1.00 0.00 O ATOM 0 H TYR A 108 -3.986 -14.206 4.651 1.00 0.00 H new ATOM 0 HA TYR A 108 -2.474 -14.946 7.090 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -5.124 -15.791 5.979 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -4.129 -17.048 6.687 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -5.305 -13.570 7.496 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -4.362 -17.453 8.975 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -6.048 -12.895 9.736 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -5.111 -16.782 11.215 1.00 0.00 H new ATOM 0 HH TYR A 108 -5.939 -15.175 12.484 1.00 0.00 H new ATOM 1637 N THR A 109 -1.021 -16.506 5.855 1.00 0.00 N ATOM 1638 CA THR A 109 -0.112 -17.388 5.133 1.00 0.00 C ATOM 1639 C THR A 109 -0.842 -18.619 4.607 1.00 0.00 C ATOM 1640 O THR A 109 -1.887 -19.003 5.130 1.00 0.00 O ATOM 1641 CB THR A 109 1.058 -17.841 6.027 1.00 0.00 C ATOM 1642 OG1 THR A 109 0.558 -18.344 7.271 1.00 0.00 O ATOM 1643 CG2 THR A 109 2.017 -16.690 6.288 1.00 0.00 C ATOM 0 H THR A 109 -0.665 -16.177 6.752 1.00 0.00 H new ATOM 0 HA THR A 109 0.282 -16.817 4.293 1.00 0.00 H new ATOM 0 HB THR A 109 1.598 -18.632 5.507 1.00 0.00 H new ATOM 0 HG1 THR A 109 1.292 -18.409 7.917 1.00 0.00 H new ATOM 0 HG21 THR A 109 2.835 -17.034 6.921 1.00 0.00 H new ATOM 0 HG22 THR A 109 2.419 -16.329 5.341 1.00 0.00 H new ATOM 0 HG23 THR A 109 1.486 -15.881 6.789 1.00 0.00 H new ATOM 1651 N SER A 110 -0.283 -19.234 3.570 1.00 0.00 N ATOM 1652 CA SER A 110 -0.882 -20.421 2.971 1.00 0.00 C ATOM 1653 C SER A 110 -1.468 -21.334 4.044 1.00 0.00 C ATOM 1654 O SER A 110 -2.677 -21.555 4.095 1.00 0.00 O ATOM 1655 CB SER A 110 0.158 -21.183 2.148 1.00 0.00 C ATOM 1656 OG SER A 110 -0.359 -22.424 1.697 1.00 0.00 O ATOM 0 H SER A 110 0.584 -18.930 3.127 1.00 0.00 H new ATOM 0 HA SER A 110 -1.689 -20.098 2.313 1.00 0.00 H new ATOM 0 HB2 SER A 110 0.463 -20.580 1.293 1.00 0.00 H new ATOM 0 HB3 SER A 110 1.050 -21.354 2.751 1.00 0.00 H new ATOM 0 HG SER A 110 0.324 -22.891 1.172 1.00 0.00 H new