USER MOD reduce.3.24.130724 H: found=0, std=0, add=864, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 865 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 47 GLN :FLIP amide:sc= -0.8 F(o=-2.3,f=-1.5) USER MOD Set 1.2: A 100 MET CE :methyl -164:sc= -0.654 (180deg=-1.99!) USER MOD Set 2.1: A 69 CYS SG : rot -17:sc= -4.31! USER MOD Set 2.2: A 107 ASN : amide:sc= -2.86! C(o=-7.2!,f=-14!) USER MOD Set 3.1: A 55 THR OG1 : rot 180:sc= 0.0878 USER MOD Set 3.2: A 56 GLN :FLIP amide:sc= -3.48! C(o=-6.2!,f=-3.4!) USER MOD Set 4.1: A 52 ASN : amide:sc= -2.79! C(o=-3!,f=-13!) USER MOD Set 4.2: A 54 THR OG1 : rot 6:sc= 0.12 USER MOD Set 4.3: A 59 MET CE :methyl 169:sc= -0.361 (180deg=-0.00694) USER MOD Set 5.1: A 20 THR OG1 : rot 180:sc= -0.835 USER MOD Set 5.2: A 98 THR OG1 : rot 145:sc= -0.773! USER MOD Single : A 14 TYR OH : rot 180:sc= -0.207 USER MOD Single : A 16 ASN :FLIP amide:sc= -2.46 F(o=-5.4!,f=-2.5) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 159:sc= -0.922 (180deg=-1.66) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN :FLIP amide:sc= -1.36! F(o=-2.4,f=-1.4!) USER MOD Single : A 42 ASN : amide:sc= -3.14! X(o=-3.1!,f=-2.8) USER MOD Single : A 43 LYS NZ :NH3+ 148:sc= -0.652 (180deg=-2.55) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 158:sc= -0.387 (180deg=-1.71!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 166:sc= 0.0174 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HE2:sc= -5.26 K(o=-5.3,f=-11!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.414 X(o=-0.41,f=-0.23) USER MOD Single : A 72 LYS NZ :NH3+ 153:sc= -1.75 (180deg=-2.29!) USER MOD Single : A 76 LYS NZ :NH3+ -139:sc= -3.56! (180deg=-5.88!) USER MOD Single : A 77 THR OG1 : rot 91:sc= 0.312 USER MOD Single : A 78 LYS NZ :NH3+ 155:sc= -0.156 (180deg=-0.972) USER MOD Single : A 81 GLN : amide:sc= -0.814 K(o=-0.81,f=-1.6!) USER MOD Single : A 82 GLN :FLIP amide:sc= -0.258 F(o=-1.4,f=-0.26) USER MOD Single : A 84 ASN :FLIP amide:sc= -1.66 F(o=-7.8!,f=-1.7) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 CYS SG : rot -54:sc= -0.191 USER MOD Single : A 110 LYS NZ :NH3+ -158:sc= -1.16 (180deg=-1.82) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 MET CE :methyl -156:sc= -0.0237 (180deg=-1.42) USER MOD Single : A 119 SER OG : rot 180:sc= 0.159 USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 156 N TYR A 14 0.133 -7.656 -3.999 1.00 0.00 N ATOM 157 CA TYR A 14 0.180 -6.596 -4.999 1.00 0.00 C ATOM 158 C TYR A 14 -1.022 -6.690 -5.933 1.00 0.00 C ATOM 159 O TYR A 14 -1.803 -7.639 -5.860 1.00 0.00 O ATOM 160 CB TYR A 14 1.471 -6.702 -5.813 1.00 0.00 C ATOM 161 CG TYR A 14 2.661 -6.564 -4.893 1.00 0.00 C ATOM 162 CD1 TYR A 14 2.866 -5.375 -4.186 1.00 0.00 C ATOM 163 CD2 TYR A 14 3.558 -7.629 -4.747 1.00 0.00 C ATOM 164 CE1 TYR A 14 3.968 -5.248 -3.332 1.00 0.00 C ATOM 165 CE2 TYR A 14 4.660 -7.503 -3.894 1.00 0.00 C ATOM 166 CZ TYR A 14 4.865 -6.313 -3.186 1.00 0.00 C ATOM 167 OH TYR A 14 5.952 -6.188 -2.345 1.00 0.00 O ATOM 0 HA TYR A 14 0.154 -5.635 -4.485 1.00 0.00 H new ATOM 0 HB2 TYR A 14 1.508 -7.660 -6.332 1.00 0.00 H new ATOM 0 HB3 TYR A 14 1.497 -5.925 -6.577 1.00 0.00 H new ATOM 0 HD1 TYR A 14 2.174 -4.554 -4.299 1.00 0.00 H new ATOM 0 HD2 TYR A 14 3.399 -8.547 -5.293 1.00 0.00 H new ATOM 0 HE1 TYR A 14 4.126 -4.329 -2.786 1.00 0.00 H new ATOM 0 HE2 TYR A 14 5.353 -8.324 -3.782 1.00 0.00 H new ATOM 0 HH TYR A 14 6.473 -7.018 -2.358 1.00 0.00 H new ATOM 177 N VAL A 15 -1.165 -5.701 -6.809 1.00 0.00 N ATOM 178 CA VAL A 15 -2.280 -5.683 -7.749 1.00 0.00 C ATOM 179 C VAL A 15 -1.830 -5.153 -9.106 1.00 0.00 C ATOM 180 O VAL A 15 -2.005 -5.812 -10.131 1.00 0.00 O ATOM 181 CB VAL A 15 -3.408 -4.806 -7.205 1.00 0.00 C ATOM 182 CG1 VAL A 15 -2.824 -3.732 -6.285 1.00 0.00 C ATOM 183 CG2 VAL A 15 -4.138 -4.135 -8.371 1.00 0.00 C ATOM 0 H VAL A 15 -0.529 -4.908 -6.888 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.641 -6.704 -7.873 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.108 -5.424 -6.642 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.629 -3.107 -5.898 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.303 -4.208 -5.455 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.123 -3.114 -6.846 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.943 -3.509 -7.985 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.437 -3.518 -8.933 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.555 -4.899 -9.027 1.00 0.00 H new ATOM 193 N ASN A 16 -1.252 -3.956 -9.106 1.00 0.00 N ATOM 194 CA ASN A 16 -0.795 -3.339 -10.346 1.00 0.00 C ATOM 195 C ASN A 16 0.509 -3.977 -10.815 1.00 0.00 C ATOM 196 O ASN A 16 0.838 -3.937 -12.000 1.00 0.00 O ATOM 197 CB ASN A 16 -0.585 -1.839 -10.134 1.00 0.00 C ATOM 198 CG ASN A 16 -1.918 -1.163 -9.836 1.00 0.00 C ATOM 199 OD1 ASN A 16 -2.127 -0.643 -8.657 1.00 0.00 O flip ATOM 200 ND2 ASN A 16 -2.795 -1.107 -10.699 1.00 0.00 N flip ATOM 0 H ASN A 16 -1.090 -3.398 -8.268 1.00 0.00 H new ATOM 0 HA ASN A 16 -1.556 -3.496 -11.110 1.00 0.00 H new ATOM 0 HB2 ASN A 16 0.108 -1.673 -9.309 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -0.135 -1.397 -11.023 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -2.631 -1.514 -11.620 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -3.685 -0.654 -10.493 1.00 0.00 H new ATOM 207 N GLY A 17 1.246 -4.563 -9.878 1.00 0.00 N ATOM 208 CA GLY A 17 2.512 -5.208 -10.210 1.00 0.00 C ATOM 209 C GLY A 17 3.405 -5.321 -8.979 1.00 0.00 C ATOM 210 O GLY A 17 3.063 -4.825 -7.905 1.00 0.00 O ATOM 0 H GLY A 17 0.992 -4.605 -8.891 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.323 -6.200 -10.619 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.024 -4.636 -10.984 1.00 0.00 H new ATOM 214 N ARG A 18 4.548 -5.977 -9.142 1.00 0.00 N ATOM 215 CA ARG A 18 5.483 -6.152 -8.036 1.00 0.00 C ATOM 216 C ARG A 18 6.499 -5.014 -8.009 1.00 0.00 C ATOM 217 O ARG A 18 6.727 -4.348 -9.020 1.00 0.00 O ATOM 218 CB ARG A 18 6.213 -7.489 -8.174 1.00 0.00 C ATOM 219 CG ARG A 18 5.494 -8.552 -7.341 1.00 0.00 C ATOM 220 CD ARG A 18 4.052 -8.697 -7.832 1.00 0.00 C ATOM 221 NE ARG A 18 3.452 -9.908 -7.287 1.00 0.00 N ATOM 222 CZ ARG A 18 2.403 -10.479 -7.871 1.00 0.00 C ATOM 223 NH1 ARG A 18 1.894 -9.956 -8.952 1.00 0.00 N ATOM 224 NH2 ARG A 18 1.884 -11.563 -7.363 1.00 0.00 N ATOM 0 H ARG A 18 4.849 -6.394 -10.023 1.00 0.00 H new ATOM 0 HA ARG A 18 4.919 -6.143 -7.103 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.244 -7.792 -9.221 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.246 -7.388 -7.840 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.015 -9.506 -7.422 1.00 0.00 H new ATOM 0 HG3 ARG A 18 5.504 -8.272 -6.288 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.469 -7.827 -7.531 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.033 -8.732 -8.921 1.00 0.00 H new ATOM 0 HE ARG A 18 3.844 -10.325 -6.443 1.00 0.00 H new ATOM 0 HH11 ARG A 18 2.301 -9.109 -9.349 1.00 0.00 H new ATOM 0 HH12 ARG A 18 1.089 -10.394 -9.400 1.00 0.00 H new ATOM 0 HH21 ARG A 18 2.283 -11.972 -6.518 1.00 0.00 H new ATOM 0 HH22 ARG A 18 1.079 -12.001 -7.811 1.00 0.00 H new ATOM 238 N PRO A 19 7.104 -4.784 -6.876 1.00 0.00 N ATOM 239 CA PRO A 19 8.138 -3.724 -6.712 1.00 0.00 C ATOM 240 C PRO A 19 9.465 -4.108 -7.362 1.00 0.00 C ATOM 241 O PRO A 19 9.883 -5.266 -7.307 1.00 0.00 O ATOM 242 CB PRO A 19 8.286 -3.599 -5.197 1.00 0.00 C ATOM 243 CG PRO A 19 7.181 -4.421 -4.617 1.00 0.00 C ATOM 244 CD PRO A 19 6.860 -5.521 -5.633 1.00 0.00 C ATOM 0 HA PRO A 19 7.850 -2.790 -7.195 1.00 0.00 H new ATOM 0 HB2 PRO A 19 9.259 -3.962 -4.867 1.00 0.00 H new ATOM 0 HB3 PRO A 19 8.209 -2.559 -4.880 1.00 0.00 H new ATOM 0 HG2 PRO A 19 7.482 -4.853 -3.663 1.00 0.00 H new ATOM 0 HG3 PRO A 19 6.302 -3.805 -4.425 1.00 0.00 H new ATOM 0 HD2 PRO A 19 7.509 -6.390 -5.528 1.00 0.00 H new ATOM 0 HD3 PRO A 19 5.833 -5.878 -5.553 1.00 0.00 H new ATOM 252 N THR A 20 10.123 -3.130 -7.975 1.00 0.00 N ATOM 253 CA THR A 20 11.409 -3.373 -8.619 1.00 0.00 C ATOM 254 C THR A 20 12.512 -3.516 -7.575 1.00 0.00 C ATOM 255 O THR A 20 13.610 -3.983 -7.878 1.00 0.00 O ATOM 256 CB THR A 20 11.745 -2.217 -9.564 1.00 0.00 C ATOM 257 OG1 THR A 20 12.105 -1.073 -8.802 1.00 0.00 O ATOM 258 CG2 THR A 20 10.528 -1.892 -10.431 1.00 0.00 C ATOM 0 H THR A 20 9.790 -2.168 -8.040 1.00 0.00 H new ATOM 0 HA THR A 20 11.341 -4.300 -9.188 1.00 0.00 H new ATOM 0 HB THR A 20 12.578 -2.504 -10.206 1.00 0.00 H new ATOM 0 HG1 THR A 20 12.321 -0.332 -9.406 1.00 0.00 H new ATOM 0 HG21 THR A 20 10.770 -1.069 -11.103 1.00 0.00 H new ATOM 0 HG22 THR A 20 10.253 -2.770 -11.016 1.00 0.00 H new ATOM 0 HG23 THR A 20 9.692 -1.606 -9.792 1.00 0.00 H new ATOM 266 N PHE A 21 12.210 -3.111 -6.345 1.00 0.00 N ATOM 267 CA PHE A 21 13.180 -3.208 -5.260 1.00 0.00 C ATOM 268 C PHE A 21 12.629 -4.067 -4.126 1.00 0.00 C ATOM 269 O PHE A 21 11.418 -4.135 -3.918 1.00 0.00 O ATOM 270 CB PHE A 21 13.512 -1.811 -4.730 1.00 0.00 C ATOM 271 CG PHE A 21 14.696 -1.892 -3.799 1.00 0.00 C ATOM 272 CD1 PHE A 21 15.991 -1.999 -4.319 1.00 0.00 C ATOM 273 CD2 PHE A 21 14.499 -1.858 -2.413 1.00 0.00 C ATOM 274 CE1 PHE A 21 17.089 -2.074 -3.455 1.00 0.00 C ATOM 275 CE2 PHE A 21 15.598 -1.933 -1.548 1.00 0.00 C ATOM 276 CZ PHE A 21 16.893 -2.039 -2.069 1.00 0.00 C ATOM 0 H PHE A 21 11.309 -2.716 -6.076 1.00 0.00 H new ATOM 0 HA PHE A 21 14.086 -3.674 -5.647 1.00 0.00 H new ATOM 0 HB2 PHE A 21 13.734 -1.139 -5.559 1.00 0.00 H new ATOM 0 HB3 PHE A 21 12.651 -1.396 -4.205 1.00 0.00 H new ATOM 0 HD1 PHE A 21 16.143 -2.024 -5.388 1.00 0.00 H new ATOM 0 HD2 PHE A 21 13.500 -1.774 -2.011 1.00 0.00 H new ATOM 0 HE1 PHE A 21 18.088 -2.159 -3.857 1.00 0.00 H new ATOM 0 HE2 PHE A 21 15.446 -1.909 -0.479 1.00 0.00 H new ATOM 0 HZ PHE A 21 17.741 -2.094 -1.402 1.00 0.00 H new ATOM 286 N VAL A 22 13.526 -4.721 -3.395 1.00 0.00 N ATOM 287 CA VAL A 22 13.116 -5.577 -2.287 1.00 0.00 C ATOM 288 C VAL A 22 14.018 -5.354 -1.077 1.00 0.00 C ATOM 289 O VAL A 22 14.984 -4.594 -1.141 1.00 0.00 O ATOM 290 CB VAL A 22 13.180 -7.045 -2.710 1.00 0.00 C ATOM 291 CG1 VAL A 22 14.641 -7.456 -2.917 1.00 0.00 C ATOM 292 CG2 VAL A 22 12.558 -7.918 -1.618 1.00 0.00 C ATOM 0 H VAL A 22 14.533 -4.676 -3.548 1.00 0.00 H new ATOM 0 HA VAL A 22 12.092 -5.322 -2.015 1.00 0.00 H new ATOM 0 HB VAL A 22 12.629 -7.177 -3.641 1.00 0.00 H new ATOM 0 HG11 VAL A 22 14.685 -8.503 -3.218 1.00 0.00 H new ATOM 0 HG12 VAL A 22 15.087 -6.835 -3.694 1.00 0.00 H new ATOM 0 HG13 VAL A 22 15.192 -7.323 -1.986 1.00 0.00 H new ATOM 0 HG21 VAL A 22 12.603 -8.965 -1.919 1.00 0.00 H new ATOM 0 HG22 VAL A 22 13.109 -7.784 -0.687 1.00 0.00 H new ATOM 0 HG23 VAL A 22 11.518 -7.628 -1.469 1.00 0.00 H new ATOM 302 N GLY A 23 13.697 -6.025 0.025 1.00 0.00 N ATOM 303 CA GLY A 23 14.482 -5.887 1.246 1.00 0.00 C ATOM 304 C GLY A 23 14.224 -7.054 2.194 1.00 0.00 C ATOM 305 O GLY A 23 14.571 -8.197 1.896 1.00 0.00 O ATOM 0 H GLY A 23 12.906 -6.664 0.098 1.00 0.00 H new ATOM 0 HA2 GLY A 23 15.543 -5.842 0.998 1.00 0.00 H new ATOM 0 HA3 GLY A 23 14.230 -4.949 1.741 1.00 0.00 H new ATOM 309 N GLU A 24 13.614 -6.758 3.337 1.00 0.00 N ATOM 310 CA GLU A 24 13.312 -7.793 4.320 1.00 0.00 C ATOM 311 C GLU A 24 11.980 -7.509 5.007 1.00 0.00 C ATOM 312 O GLU A 24 11.068 -8.334 4.976 1.00 0.00 O ATOM 313 CB GLU A 24 14.425 -7.857 5.368 1.00 0.00 C ATOM 314 CG GLU A 24 15.765 -8.114 4.675 1.00 0.00 C ATOM 315 CD GLU A 24 16.856 -8.339 5.717 1.00 0.00 C ATOM 316 OE1 GLU A 24 16.557 -8.220 6.894 1.00 0.00 O ATOM 317 OE2 GLU A 24 17.973 -8.627 5.323 1.00 0.00 O ATOM 0 H GLU A 24 13.321 -5.818 3.604 1.00 0.00 H new ATOM 0 HA GLU A 24 13.243 -8.750 3.803 1.00 0.00 H new ATOM 0 HB2 GLU A 24 14.466 -6.922 5.928 1.00 0.00 H new ATOM 0 HB3 GLU A 24 14.217 -8.650 6.087 1.00 0.00 H new ATOM 0 HG2 GLU A 24 15.686 -8.985 4.025 1.00 0.00 H new ATOM 0 HG3 GLU A 24 16.025 -7.266 4.042 1.00 0.00 H new ATOM 324 N GLU A 25 11.876 -6.337 5.623 1.00 0.00 N ATOM 325 CA GLU A 25 10.648 -5.952 6.309 1.00 0.00 C ATOM 326 C GLU A 25 9.740 -5.156 5.376 1.00 0.00 C ATOM 327 O GLU A 25 10.168 -4.179 4.761 1.00 0.00 O ATOM 328 CB GLU A 25 10.979 -5.110 7.542 1.00 0.00 C ATOM 329 CG GLU A 25 9.712 -4.901 8.372 1.00 0.00 C ATOM 330 CD GLU A 25 9.272 -6.222 8.995 1.00 0.00 C ATOM 331 OE1 GLU A 25 10.118 -7.084 9.165 1.00 0.00 O ATOM 332 OE2 GLU A 25 8.096 -6.353 9.291 1.00 0.00 O ATOM 0 H GLU A 25 12.621 -5.641 5.662 1.00 0.00 H new ATOM 0 HA GLU A 25 10.128 -6.859 6.618 1.00 0.00 H new ATOM 0 HB2 GLU A 25 11.741 -5.608 8.141 1.00 0.00 H new ATOM 0 HB3 GLU A 25 11.391 -4.147 7.238 1.00 0.00 H new ATOM 0 HG2 GLU A 25 9.897 -4.165 9.154 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.916 -4.504 7.742 1.00 0.00 H new ATOM 339 N VAL A 26 8.485 -5.581 5.276 1.00 0.00 N ATOM 340 CA VAL A 26 7.526 -4.901 4.412 1.00 0.00 C ATOM 341 C VAL A 26 6.179 -4.761 5.112 1.00 0.00 C ATOM 342 O VAL A 26 5.677 -5.712 5.711 1.00 0.00 O ATOM 343 CB VAL A 26 7.348 -5.685 3.111 1.00 0.00 C ATOM 344 CG1 VAL A 26 6.634 -4.809 2.080 1.00 0.00 C ATOM 345 CG2 VAL A 26 8.721 -6.091 2.570 1.00 0.00 C ATOM 0 H VAL A 26 8.110 -6.386 5.778 1.00 0.00 H new ATOM 0 HA VAL A 26 7.910 -3.906 4.187 1.00 0.00 H new ATOM 0 HB VAL A 26 6.753 -6.578 3.303 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.507 -5.368 1.153 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.657 -4.518 2.465 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.229 -3.916 1.887 1.00 0.00 H new ATOM 0 HG21 VAL A 26 8.596 -6.650 1.643 1.00 0.00 H new ATOM 0 HG22 VAL A 26 9.315 -5.198 2.378 1.00 0.00 H new ATOM 0 HG23 VAL A 26 9.231 -6.715 3.304 1.00 0.00 H new ATOM 355 N THR A 27 5.598 -3.568 5.032 1.00 0.00 N ATOM 356 CA THR A 27 4.306 -3.315 5.658 1.00 0.00 C ATOM 357 C THR A 27 3.511 -2.295 4.849 1.00 0.00 C ATOM 358 O THR A 27 4.076 -1.538 4.061 1.00 0.00 O ATOM 359 CB THR A 27 4.510 -2.793 7.083 1.00 0.00 C ATOM 360 OG1 THR A 27 3.298 -2.923 7.811 1.00 0.00 O ATOM 361 CG2 THR A 27 4.923 -1.320 7.034 1.00 0.00 C ATOM 0 H THR A 27 5.998 -2.767 4.544 1.00 0.00 H new ATOM 0 HA THR A 27 3.748 -4.251 5.691 1.00 0.00 H new ATOM 0 HB THR A 27 5.293 -3.371 7.574 1.00 0.00 H new ATOM 0 HG1 THR A 27 3.427 -2.591 8.724 1.00 0.00 H new ATOM 0 HG21 THR A 27 5.068 -0.949 8.049 1.00 0.00 H new ATOM 0 HG22 THR A 27 5.854 -1.221 6.475 1.00 0.00 H new ATOM 0 HG23 THR A 27 4.142 -0.739 6.543 1.00 0.00 H new ATOM 369 N LYS A 28 2.197 -2.283 5.049 1.00 0.00 N ATOM 370 CA LYS A 28 1.336 -1.351 4.330 1.00 0.00 C ATOM 371 C LYS A 28 1.374 0.027 4.985 1.00 0.00 C ATOM 372 O LYS A 28 1.055 0.174 6.163 1.00 0.00 O ATOM 373 CB LYS A 28 -0.102 -1.872 4.318 1.00 0.00 C ATOM 374 CG LYS A 28 -0.431 -2.497 5.675 1.00 0.00 C ATOM 375 CD LYS A 28 -1.944 -2.698 5.792 1.00 0.00 C ATOM 376 CE LYS A 28 -2.431 -3.587 4.647 1.00 0.00 C ATOM 377 NZ LYS A 28 -1.475 -4.713 4.450 1.00 0.00 N ATOM 0 H LYS A 28 1.709 -2.902 5.697 1.00 0.00 H new ATOM 0 HA LYS A 28 1.700 -1.265 3.306 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.793 -1.057 4.104 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -0.226 -2.611 3.526 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.083 -3.453 5.781 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.076 -1.853 6.479 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.188 -3.156 6.751 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.453 -1.735 5.760 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.425 -3.975 4.871 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.516 -3.003 3.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.952 -5.489 3.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.663 -4.385 3.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.142 -5.051 5.375 1.00 0.00 H new ATOM 391 N GLY A 29 1.767 1.033 4.209 1.00 0.00 N ATOM 392 CA GLY A 29 1.841 2.396 4.723 1.00 0.00 C ATOM 393 C GLY A 29 0.508 2.825 5.324 1.00 0.00 C ATOM 394 O GLY A 29 0.384 2.974 6.540 1.00 0.00 O ATOM 0 H GLY A 29 2.037 0.932 3.231 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.623 2.461 5.479 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.118 3.078 3.919 1.00 0.00 H new ATOM 398 N PHE A 30 -0.487 3.023 4.466 1.00 0.00 N ATOM 399 CA PHE A 30 -1.809 3.433 4.925 1.00 0.00 C ATOM 400 C PHE A 30 -2.522 2.271 5.608 1.00 0.00 C ATOM 401 O PHE A 30 -1.957 1.605 6.475 1.00 0.00 O ATOM 402 CB PHE A 30 -2.644 3.921 3.740 1.00 0.00 C ATOM 403 CG PHE A 30 -1.918 5.048 3.044 1.00 0.00 C ATOM 404 CD1 PHE A 30 -2.001 6.351 3.551 1.00 0.00 C ATOM 405 CD2 PHE A 30 -1.164 4.790 1.894 1.00 0.00 C ATOM 406 CE1 PHE A 30 -1.329 7.396 2.905 1.00 0.00 C ATOM 407 CE2 PHE A 30 -0.492 5.836 1.249 1.00 0.00 C ATOM 408 CZ PHE A 30 -0.575 7.139 1.754 1.00 0.00 C ATOM 0 H PHE A 30 -0.405 2.907 3.456 1.00 0.00 H new ATOM 0 HA PHE A 30 -1.689 4.244 5.643 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.820 3.102 3.043 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.621 4.261 4.085 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.583 6.550 4.439 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.100 3.785 1.504 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.393 8.401 3.295 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.091 5.637 0.362 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.058 7.946 1.256 1.00 0.00 H new ATOM 418 N GLU A 31 -3.769 2.034 5.212 1.00 0.00 N ATOM 419 CA GLU A 31 -4.551 0.948 5.791 1.00 0.00 C ATOM 420 C GLU A 31 -5.845 0.743 5.008 1.00 0.00 C ATOM 421 O GLU A 31 -6.931 0.700 5.586 1.00 0.00 O ATOM 422 CB GLU A 31 -4.880 1.263 7.251 1.00 0.00 C ATOM 423 CG GLU A 31 -5.321 -0.017 7.964 1.00 0.00 C ATOM 424 CD GLU A 31 -5.753 0.303 9.391 1.00 0.00 C ATOM 425 OE1 GLU A 31 -5.708 1.467 9.756 1.00 0.00 O ATOM 426 OE2 GLU A 31 -6.125 -0.620 10.097 1.00 0.00 O ATOM 0 H GLU A 31 -4.256 2.575 4.498 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.961 0.033 5.741 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -4.007 1.686 7.748 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.671 2.011 7.303 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.145 -0.480 7.421 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -4.503 -0.737 7.976 1.00 0.00 H new ATOM 433 N LYS A 32 -5.720 0.616 3.692 1.00 0.00 N ATOM 434 CA LYS A 32 -6.887 0.418 2.839 1.00 0.00 C ATOM 435 C LYS A 32 -6.496 -0.311 1.557 1.00 0.00 C ATOM 436 O LYS A 32 -5.369 -0.185 1.079 1.00 0.00 O ATOM 437 CB LYS A 32 -7.514 1.769 2.490 1.00 0.00 C ATOM 438 CG LYS A 32 -8.955 1.557 2.021 1.00 0.00 C ATOM 439 CD LYS A 32 -9.891 1.546 3.230 1.00 0.00 C ATOM 440 CE LYS A 32 -10.336 2.976 3.545 1.00 0.00 C ATOM 441 NZ LYS A 32 -11.215 2.969 4.747 1.00 0.00 N ATOM 0 H LYS A 32 -4.830 0.646 3.195 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.612 -0.189 3.382 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.496 2.426 3.360 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -6.934 2.260 1.708 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.244 2.350 1.332 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.036 0.616 1.477 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.760 0.920 3.025 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.383 1.114 4.092 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -9.466 3.608 3.721 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -10.870 3.398 2.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -11.518 3.941 4.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -12.051 2.379 4.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -10.691 2.583 5.558 1.00 0.00 H new ATOM 455 N ASP A 33 -7.435 -1.074 1.007 1.00 0.00 N ATOM 456 CA ASP A 33 -7.178 -1.815 -0.222 1.00 0.00 C ATOM 457 C ASP A 33 -6.040 -2.810 -0.018 1.00 0.00 C ATOM 458 O ASP A 33 -5.992 -3.515 0.989 1.00 0.00 O ATOM 459 CB ASP A 33 -6.817 -0.848 -1.351 1.00 0.00 C ATOM 460 CG ASP A 33 -6.906 -1.559 -2.696 1.00 0.00 C ATOM 461 OD1 ASP A 33 -7.316 -2.707 -2.711 1.00 0.00 O ATOM 462 OD2 ASP A 33 -6.562 -0.944 -3.692 1.00 0.00 O ATOM 0 H ASP A 33 -8.373 -1.195 1.389 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.082 -2.362 -0.490 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.492 0.008 -1.338 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.809 -0.461 -1.201 1.00 0.00 H new ATOM 467 N ASN A 34 -5.125 -2.862 -0.982 1.00 0.00 N ATOM 468 CA ASN A 34 -3.995 -3.779 -0.899 1.00 0.00 C ATOM 469 C ASN A 34 -2.812 -3.111 -0.205 1.00 0.00 C ATOM 470 O ASN A 34 -1.694 -3.625 -0.230 1.00 0.00 O ATOM 471 CB ASN A 34 -3.580 -4.225 -2.302 1.00 0.00 C ATOM 472 CG ASN A 34 -2.988 -3.048 -3.070 1.00 0.00 C ATOM 473 OD1 ASN A 34 -3.785 -2.195 -3.653 1.00 0.00 O flip ATOM 474 ND2 ASN A 34 -1.768 -2.901 -3.140 1.00 0.00 N flip ATOM 0 H ASN A 34 -5.144 -2.285 -1.823 1.00 0.00 H new ATOM 0 HA ASN A 34 -4.300 -4.649 -0.317 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -2.849 -5.031 -2.235 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -4.443 -4.621 -2.837 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -1.147 -3.569 -2.684 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -1.378 -2.111 -3.654 1.00 0.00 H new ATOM 481 N GLY A 35 -3.067 -1.964 0.414 1.00 0.00 N ATOM 482 CA GLY A 35 -2.014 -1.230 1.106 1.00 0.00 C ATOM 483 C GLY A 35 -1.517 -0.063 0.261 1.00 0.00 C ATOM 484 O GLY A 35 -0.867 0.851 0.767 1.00 0.00 O ATOM 0 H GLY A 35 -3.987 -1.525 0.451 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.390 -0.859 2.059 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.185 -1.901 1.330 1.00 0.00 H new ATOM 488 N LEU A 36 -1.829 -0.100 -1.031 1.00 0.00 N ATOM 489 CA LEU A 36 -1.418 0.966 -1.937 1.00 0.00 C ATOM 490 C LEU A 36 0.102 1.077 -1.982 1.00 0.00 C ATOM 491 O LEU A 36 0.738 0.641 -2.941 1.00 0.00 O ATOM 492 CB LEU A 36 -2.016 2.298 -1.480 1.00 0.00 C ATOM 493 CG LEU A 36 -3.488 2.099 -1.114 1.00 0.00 C ATOM 494 CD1 LEU A 36 -4.123 3.454 -0.794 1.00 0.00 C ATOM 495 CD2 LEU A 36 -4.223 1.460 -2.295 1.00 0.00 C ATOM 0 H LEU A 36 -2.361 -0.851 -1.471 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.782 0.728 -2.936 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.465 2.680 -0.620 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.925 3.041 -2.273 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.561 1.449 -0.242 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -5.172 3.312 -0.533 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.599 3.912 0.045 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.051 4.105 -1.666 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.272 1.317 -2.036 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.149 2.112 -3.165 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.772 0.495 -2.525 1.00 0.00 H new ATOM 507 N LEU A 37 0.679 1.663 -0.938 1.00 0.00 N ATOM 508 CA LEU A 37 2.127 1.837 -0.875 1.00 0.00 C ATOM 509 C LEU A 37 2.739 0.888 0.150 1.00 0.00 C ATOM 510 O LEU A 37 2.237 0.757 1.266 1.00 0.00 O ATOM 511 CB LEU A 37 2.465 3.281 -0.500 1.00 0.00 C ATOM 512 CG LEU A 37 3.979 3.484 -0.564 1.00 0.00 C ATOM 513 CD1 LEU A 37 4.403 3.719 -2.015 1.00 0.00 C ATOM 514 CD2 LEU A 37 4.367 4.698 0.282 1.00 0.00 C ATOM 0 H LEU A 37 0.172 2.023 -0.130 1.00 0.00 H new ATOM 0 HA LEU A 37 2.542 1.610 -1.857 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.966 3.971 -1.180 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.100 3.502 0.503 1.00 0.00 H new ATOM 0 HG LEU A 37 4.480 2.596 -0.179 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.482 3.864 -2.060 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.127 2.855 -2.619 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.902 4.606 -2.401 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.446 4.843 0.237 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.865 5.585 -0.103 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.066 4.532 1.316 1.00 0.00 H new ATOM 526 N PHE A 38 3.826 0.230 -0.237 1.00 0.00 N ATOM 527 CA PHE A 38 4.508 -0.696 0.661 1.00 0.00 C ATOM 528 C PHE A 38 5.859 -0.132 1.085 1.00 0.00 C ATOM 529 O PHE A 38 6.594 0.425 0.268 1.00 0.00 O ATOM 530 CB PHE A 38 4.709 -2.044 -0.033 1.00 0.00 C ATOM 531 CG PHE A 38 3.382 -2.551 -0.542 1.00 0.00 C ATOM 532 CD1 PHE A 38 2.948 -2.209 -1.828 1.00 0.00 C ATOM 533 CD2 PHE A 38 2.585 -3.365 0.272 1.00 0.00 C ATOM 534 CE1 PHE A 38 1.717 -2.679 -2.301 1.00 0.00 C ATOM 535 CE2 PHE A 38 1.354 -3.835 -0.201 1.00 0.00 C ATOM 536 CZ PHE A 38 0.920 -3.493 -1.488 1.00 0.00 C ATOM 0 H PHE A 38 4.252 0.319 -1.160 1.00 0.00 H new ATOM 0 HA PHE A 38 3.890 -0.834 1.548 1.00 0.00 H new ATOM 0 HB2 PHE A 38 5.411 -1.938 -0.860 1.00 0.00 H new ATOM 0 HB3 PHE A 38 5.142 -2.762 0.663 1.00 0.00 H new ATOM 0 HD1 PHE A 38 3.563 -1.582 -2.456 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.920 -3.630 1.264 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.382 -2.414 -3.293 1.00 0.00 H new ATOM 0 HE2 PHE A 38 0.738 -4.462 0.427 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.029 -3.857 -1.853 1.00 0.00 H new ATOM 546 N ARG A 39 6.181 -0.277 2.366 1.00 0.00 N ATOM 547 CA ARG A 39 7.450 0.219 2.885 1.00 0.00 C ATOM 548 C ARG A 39 8.526 -0.858 2.793 1.00 0.00 C ATOM 549 O ARG A 39 8.564 -1.783 3.604 1.00 0.00 O ATOM 550 CB ARG A 39 7.283 0.653 4.342 1.00 0.00 C ATOM 551 CG ARG A 39 8.451 1.559 4.742 1.00 0.00 C ATOM 552 CD ARG A 39 8.259 2.034 6.182 1.00 0.00 C ATOM 553 NE ARG A 39 6.955 2.665 6.336 1.00 0.00 N ATOM 554 CZ ARG A 39 6.401 2.816 7.535 1.00 0.00 C ATOM 555 NH1 ARG A 39 7.026 2.395 8.599 1.00 0.00 N ATOM 556 NH2 ARG A 39 5.231 3.384 7.647 1.00 0.00 N ATOM 0 H ARG A 39 5.586 -0.730 3.059 1.00 0.00 H new ATOM 0 HA ARG A 39 7.757 1.074 2.283 1.00 0.00 H new ATOM 0 HB2 ARG A 39 6.338 1.182 4.469 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.248 -0.222 4.991 1.00 0.00 H new ATOM 0 HG2 ARG A 39 9.393 1.018 4.649 1.00 0.00 H new ATOM 0 HG3 ARG A 39 8.507 2.415 4.070 1.00 0.00 H new ATOM 0 HD2 ARG A 39 8.345 1.189 6.865 1.00 0.00 H new ATOM 0 HD3 ARG A 39 9.046 2.740 6.447 1.00 0.00 H new ATOM 0 HE ARG A 39 6.458 2.997 5.509 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.940 1.950 8.511 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.601 2.511 9.519 1.00 0.00 H new ATOM 0 HH21 ARG A 39 4.742 3.712 6.814 1.00 0.00 H new ATOM 0 HH22 ARG A 39 4.806 3.500 8.567 1.00 0.00 H new ATOM 570 N ILE A 40 9.401 -0.729 1.801 1.00 0.00 N ATOM 571 CA ILE A 40 10.475 -1.697 1.611 1.00 0.00 C ATOM 572 C ILE A 40 11.714 -1.279 2.396 1.00 0.00 C ATOM 573 O ILE A 40 12.217 -0.166 2.236 1.00 0.00 O ATOM 574 CB ILE A 40 10.822 -1.807 0.126 1.00 0.00 C ATOM 575 CG1 ILE A 40 9.550 -2.096 -0.674 1.00 0.00 C ATOM 576 CG2 ILE A 40 11.823 -2.946 -0.082 1.00 0.00 C ATOM 577 CD1 ILE A 40 9.848 -1.973 -2.170 1.00 0.00 C ATOM 0 H ILE A 40 9.388 0.031 1.121 1.00 0.00 H new ATOM 0 HA ILE A 40 10.136 -2.666 1.976 1.00 0.00 H new ATOM 0 HB ILE A 40 11.262 -0.870 -0.214 1.00 0.00 H new ATOM 0 HG12 ILE A 40 9.184 -3.097 -0.446 1.00 0.00 H new ATOM 0 HG13 ILE A 40 8.763 -1.397 -0.391 1.00 0.00 H new ATOM 0 HG21 ILE A 40 12.070 -3.024 -1.141 1.00 0.00 H new ATOM 0 HG22 ILE A 40 12.729 -2.742 0.488 1.00 0.00 H new ATOM 0 HG23 ILE A 40 11.383 -3.884 0.258 1.00 0.00 H new ATOM 0 HD11 ILE A 40 8.942 -2.179 -2.740 1.00 0.00 H new ATOM 0 HD12 ILE A 40 10.193 -0.963 -2.390 1.00 0.00 H new ATOM 0 HD13 ILE A 40 10.621 -2.689 -2.447 1.00 0.00 H new ATOM 589 N VAL A 41 12.203 -2.178 3.245 1.00 0.00 N ATOM 590 CA VAL A 41 13.377 -1.885 4.058 1.00 0.00 C ATOM 591 C VAL A 41 14.378 -3.035 3.990 1.00 0.00 C ATOM 592 O VAL A 41 14.025 -4.192 4.221 1.00 0.00 O ATOM 593 CB VAL A 41 12.961 -1.654 5.512 1.00 0.00 C ATOM 594 CG1 VAL A 41 14.176 -1.214 6.329 1.00 0.00 C ATOM 595 CG2 VAL A 41 11.890 -0.563 5.566 1.00 0.00 C ATOM 0 H VAL A 41 11.808 -3.108 3.387 1.00 0.00 H new ATOM 0 HA VAL A 41 13.850 -0.984 3.668 1.00 0.00 H new ATOM 0 HB VAL A 41 12.562 -2.580 5.927 1.00 0.00 H new ATOM 0 HG11 VAL A 41 13.878 -1.050 7.365 1.00 0.00 H new ATOM 0 HG12 VAL A 41 14.941 -1.990 6.290 1.00 0.00 H new ATOM 0 HG13 VAL A 41 14.577 -0.288 5.916 1.00 0.00 H new ATOM 0 HG21 VAL A 41 11.592 -0.397 6.601 1.00 0.00 H new ATOM 0 HG22 VAL A 41 12.291 0.362 5.151 1.00 0.00 H new ATOM 0 HG23 VAL A 41 11.023 -0.875 4.984 1.00 0.00 H new ATOM 605 N ASN A 42 15.625 -2.709 3.671 1.00 0.00 N ATOM 606 CA ASN A 42 16.672 -3.721 3.585 1.00 0.00 C ATOM 607 C ASN A 42 17.652 -3.575 4.745 1.00 0.00 C ATOM 608 O ASN A 42 18.496 -2.680 4.750 1.00 0.00 O ATOM 609 CB ASN A 42 17.423 -3.585 2.259 1.00 0.00 C ATOM 610 CG ASN A 42 18.158 -4.883 1.941 1.00 0.00 C ATOM 611 OD1 ASN A 42 19.285 -4.854 1.448 1.00 0.00 O ATOM 612 ND2 ASN A 42 17.582 -6.026 2.193 1.00 0.00 N ATOM 0 H ASN A 42 15.935 -1.759 3.469 1.00 0.00 H new ATOM 0 HA ASN A 42 16.206 -4.705 3.638 1.00 0.00 H new ATOM 0 HB2 ASN A 42 16.723 -3.348 1.458 1.00 0.00 H new ATOM 0 HB3 ASN A 42 18.133 -2.760 2.317 1.00 0.00 H new ATOM 0 HD21 ASN A 42 18.066 -6.899 1.981 1.00 0.00 H new ATOM 0 HD22 ASN A 42 16.648 -6.047 2.602 1.00 0.00 H new ATOM 619 N LYS A 43 17.534 -4.463 5.728 1.00 0.00 N ATOM 620 CA LYS A 43 18.402 -4.414 6.898 1.00 0.00 C ATOM 621 C LYS A 43 19.868 -4.503 6.485 1.00 0.00 C ATOM 622 O LYS A 43 20.743 -3.939 7.141 1.00 0.00 O ATOM 623 CB LYS A 43 18.068 -5.568 7.845 1.00 0.00 C ATOM 624 CG LYS A 43 16.657 -5.376 8.404 1.00 0.00 C ATOM 625 CD LYS A 43 16.392 -6.420 9.490 1.00 0.00 C ATOM 626 CE LYS A 43 14.938 -6.318 9.953 1.00 0.00 C ATOM 627 NZ LYS A 43 14.033 -6.416 8.774 1.00 0.00 N ATOM 0 H LYS A 43 16.850 -5.220 5.737 1.00 0.00 H new ATOM 0 HA LYS A 43 18.237 -3.465 7.408 1.00 0.00 H new ATOM 0 HB2 LYS A 43 18.135 -6.518 7.315 1.00 0.00 H new ATOM 0 HB3 LYS A 43 18.792 -5.605 8.659 1.00 0.00 H new ATOM 0 HG2 LYS A 43 16.551 -4.372 8.816 1.00 0.00 H new ATOM 0 HG3 LYS A 43 15.922 -5.472 7.605 1.00 0.00 H new ATOM 0 HD2 LYS A 43 16.593 -7.420 9.105 1.00 0.00 H new ATOM 0 HD3 LYS A 43 17.065 -6.262 10.333 1.00 0.00 H new ATOM 0 HE2 LYS A 43 14.715 -7.114 10.663 1.00 0.00 H new ATOM 0 HE3 LYS A 43 14.776 -5.373 10.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 13.144 -6.877 9.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 13.829 -5.462 8.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 14.493 -6.977 8.029 1.00 0.00 H new ATOM 641 N LYS A 44 20.128 -5.215 5.394 1.00 0.00 N ATOM 642 CA LYS A 44 21.494 -5.379 4.909 1.00 0.00 C ATOM 643 C LYS A 44 22.152 -4.020 4.686 1.00 0.00 C ATOM 644 O LYS A 44 23.222 -3.742 5.227 1.00 0.00 O ATOM 645 CB LYS A 44 21.492 -6.169 3.600 1.00 0.00 C ATOM 646 CG LYS A 44 22.933 -6.471 3.182 1.00 0.00 C ATOM 647 CD LYS A 44 22.933 -7.461 2.016 1.00 0.00 C ATOM 648 CE LYS A 44 22.227 -6.832 0.814 1.00 0.00 C ATOM 649 NZ LYS A 44 22.653 -7.528 -0.433 1.00 0.00 N ATOM 0 H LYS A 44 19.418 -5.684 4.832 1.00 0.00 H new ATOM 0 HA LYS A 44 22.063 -5.925 5.661 1.00 0.00 H new ATOM 0 HB2 LYS A 44 20.936 -7.098 3.725 1.00 0.00 H new ATOM 0 HB3 LYS A 44 20.988 -5.599 2.820 1.00 0.00 H new ATOM 0 HG2 LYS A 44 23.438 -5.550 2.890 1.00 0.00 H new ATOM 0 HG3 LYS A 44 23.487 -6.886 4.024 1.00 0.00 H new ATOM 0 HD2 LYS A 44 23.956 -7.728 1.752 1.00 0.00 H new ATOM 0 HD3 LYS A 44 22.428 -8.382 2.307 1.00 0.00 H new ATOM 0 HE2 LYS A 44 21.146 -6.907 0.934 1.00 0.00 H new ATOM 0 HE3 LYS A 44 22.468 -5.771 0.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 22.173 -7.100 -1.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 23.682 -7.435 -0.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 22.401 -8.535 -0.372 1.00 0.00 H new ATOM 663 N LYS A 45 21.506 -3.181 3.886 1.00 0.00 N ATOM 664 CA LYS A 45 22.036 -1.853 3.598 1.00 0.00 C ATOM 665 C LYS A 45 21.289 -0.791 4.398 1.00 0.00 C ATOM 666 O LYS A 45 21.642 0.388 4.363 1.00 0.00 O ATOM 667 CB LYS A 45 21.911 -1.554 2.103 1.00 0.00 C ATOM 668 CG LYS A 45 22.567 -2.680 1.301 1.00 0.00 C ATOM 669 CD LYS A 45 24.072 -2.694 1.574 1.00 0.00 C ATOM 670 CE LYS A 45 24.788 -3.443 0.448 1.00 0.00 C ATOM 671 NZ LYS A 45 26.229 -3.605 0.797 1.00 0.00 N ATOM 0 H LYS A 45 20.620 -3.394 3.427 1.00 0.00 H new ATOM 0 HA LYS A 45 23.087 -1.832 3.885 1.00 0.00 H new ATOM 0 HB2 LYS A 45 20.861 -1.460 1.827 1.00 0.00 H new ATOM 0 HB3 LYS A 45 22.388 -0.602 1.871 1.00 0.00 H new ATOM 0 HG2 LYS A 45 22.128 -3.639 1.576 1.00 0.00 H new ATOM 0 HG3 LYS A 45 22.381 -2.538 0.236 1.00 0.00 H new ATOM 0 HD2 LYS A 45 24.449 -1.674 1.644 1.00 0.00 H new ATOM 0 HD3 LYS A 45 24.274 -3.175 2.531 1.00 0.00 H new ATOM 0 HE2 LYS A 45 24.328 -4.419 0.296 1.00 0.00 H new ATOM 0 HE3 LYS A 45 24.689 -2.894 -0.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 26.716 -4.114 0.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 26.664 -2.668 0.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 26.313 -4.146 1.681 1.00 0.00 H new ATOM 685 N LYS A 46 20.258 -1.218 5.118 1.00 0.00 N ATOM 686 CA LYS A 46 19.466 -0.294 5.924 1.00 0.00 C ATOM 687 C LYS A 46 18.951 0.861 5.070 1.00 0.00 C ATOM 688 O LYS A 46 18.798 1.982 5.554 1.00 0.00 O ATOM 689 CB LYS A 46 20.314 0.257 7.072 1.00 0.00 C ATOM 690 CG LYS A 46 20.082 -0.586 8.327 1.00 0.00 C ATOM 691 CD LYS A 46 18.801 -0.124 9.024 1.00 0.00 C ATOM 692 CE LYS A 46 18.097 -1.329 9.650 1.00 0.00 C ATOM 693 NZ LYS A 46 19.115 -2.278 10.181 1.00 0.00 N ATOM 0 H LYS A 46 19.952 -2.190 5.161 1.00 0.00 H new ATOM 0 HA LYS A 46 18.613 -0.838 6.330 1.00 0.00 H new ATOM 0 HB2 LYS A 46 21.369 0.240 6.799 1.00 0.00 H new ATOM 0 HB3 LYS A 46 20.051 1.297 7.266 1.00 0.00 H new ATOM 0 HG2 LYS A 46 20.003 -1.640 8.060 1.00 0.00 H new ATOM 0 HG3 LYS A 46 20.931 -0.491 9.004 1.00 0.00 H new ATOM 0 HD2 LYS A 46 19.038 0.612 9.793 1.00 0.00 H new ATOM 0 HD3 LYS A 46 18.141 0.365 8.308 1.00 0.00 H new ATOM 0 HE2 LYS A 46 17.436 -1.001 10.453 1.00 0.00 H new ATOM 0 HE3 LYS A 46 17.474 -1.826 8.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 18.681 -2.881 10.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 19.473 -2.873 9.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 19.903 -1.744 10.599 1.00 0.00 H new ATOM 707 N GLN A 47 18.685 0.581 3.798 1.00 0.00 N ATOM 708 CA GLN A 47 18.182 1.606 2.891 1.00 0.00 C ATOM 709 C GLN A 47 16.680 1.441 2.679 1.00 0.00 C ATOM 710 O GLN A 47 16.212 0.367 2.302 1.00 0.00 O ATOM 711 CB GLN A 47 18.904 1.516 1.544 1.00 0.00 C ATOM 712 CG GLN A 47 18.629 0.153 0.907 1.00 0.00 C ATOM 713 CD GLN A 47 19.646 -0.119 -0.197 1.00 0.00 C ATOM 714 OE1 GLN A 47 20.351 0.868 -0.678 1.00 0.00 O flip ATOM 715 NE2 GLN A 47 19.801 -1.260 -0.632 1.00 0.00 N flip ATOM 0 H GLN A 47 18.808 -0.339 3.375 1.00 0.00 H new ATOM 0 HA GLN A 47 18.370 2.583 3.337 1.00 0.00 H new ATOM 0 HB2 GLN A 47 18.564 2.313 0.883 1.00 0.00 H new ATOM 0 HB3 GLN A 47 19.976 1.654 1.684 1.00 0.00 H new ATOM 0 HG2 GLN A 47 18.683 -0.629 1.664 1.00 0.00 H new ATOM 0 HG3 GLN A 47 17.619 0.131 0.497 1.00 0.00 H new ATOM 0 HE21 GLN A 47 19.248 -2.029 -0.254 1.00 0.00 H new ATOM 0 HE22 GLN A 47 20.482 -1.436 -1.371 1.00 0.00 H new ATOM 724 N TRP A 48 15.932 2.512 2.926 1.00 0.00 N ATOM 725 CA TRP A 48 14.484 2.473 2.759 1.00 0.00 C ATOM 726 C TRP A 48 14.104 2.732 1.304 1.00 0.00 C ATOM 727 O TRP A 48 14.769 3.496 0.604 1.00 0.00 O ATOM 728 CB TRP A 48 13.827 3.525 3.654 1.00 0.00 C ATOM 729 CG TRP A 48 13.963 3.118 5.086 1.00 0.00 C ATOM 730 CD1 TRP A 48 14.793 2.155 5.547 1.00 0.00 C ATOM 731 CD2 TRP A 48 13.263 3.645 6.252 1.00 0.00 C ATOM 732 NE1 TRP A 48 14.648 2.057 6.919 1.00 0.00 N ATOM 733 CE2 TRP A 48 13.717 2.955 7.400 1.00 0.00 C ATOM 734 CE3 TRP A 48 12.289 4.645 6.420 1.00 0.00 C ATOM 735 CZ2 TRP A 48 13.221 3.247 8.672 1.00 0.00 C ATOM 736 CZ3 TRP A 48 11.788 4.942 7.699 1.00 0.00 C ATOM 737 CH2 TRP A 48 12.253 4.243 8.822 1.00 0.00 C ATOM 0 H TRP A 48 16.301 3.410 3.240 1.00 0.00 H new ATOM 0 HA TRP A 48 14.131 1.482 3.044 1.00 0.00 H new ATOM 0 HB2 TRP A 48 14.295 4.496 3.495 1.00 0.00 H new ATOM 0 HB3 TRP A 48 12.774 3.632 3.394 1.00 0.00 H new ATOM 0 HD1 TRP A 48 15.461 1.559 4.942 1.00 0.00 H new ATOM 0 HE1 TRP A 48 15.166 1.401 7.504 1.00 0.00 H new ATOM 0 HE3 TRP A 48 11.924 5.188 5.561 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 13.583 2.707 9.534 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 11.041 5.713 7.818 1.00 0.00 H new ATOM 0 HH2 TRP A 48 11.863 4.474 9.802 1.00 0.00 H new ATOM 748 N ALA A 49 13.029 2.090 0.857 1.00 0.00 N ATOM 749 CA ALA A 49 12.562 2.262 -0.515 1.00 0.00 C ATOM 750 C ALA A 49 11.039 2.193 -0.570 1.00 0.00 C ATOM 751 O ALA A 49 10.411 1.492 0.224 1.00 0.00 O ATOM 752 CB ALA A 49 13.158 1.176 -1.411 1.00 0.00 C ATOM 0 H ALA A 49 12.468 1.450 1.420 1.00 0.00 H new ATOM 0 HA ALA A 49 12.885 3.240 -0.871 1.00 0.00 H new ATOM 0 HB1 ALA A 49 12.804 1.312 -2.433 1.00 0.00 H new ATOM 0 HB2 ALA A 49 14.246 1.245 -1.392 1.00 0.00 H new ATOM 0 HB3 ALA A 49 12.850 0.195 -1.048 1.00 0.00 H new ATOM 758 N TYR A 50 10.450 2.924 -1.510 1.00 0.00 N ATOM 759 CA TYR A 50 8.998 2.939 -1.653 1.00 0.00 C ATOM 760 C TYR A 50 8.587 2.506 -3.055 1.00 0.00 C ATOM 761 O TYR A 50 9.289 2.778 -4.030 1.00 0.00 O ATOM 762 CB TYR A 50 8.461 4.344 -1.372 1.00 0.00 C ATOM 763 CG TYR A 50 8.551 4.630 0.107 1.00 0.00 C ATOM 764 CD1 TYR A 50 7.640 4.040 0.990 1.00 0.00 C ATOM 765 CD2 TYR A 50 9.547 5.485 0.595 1.00 0.00 C ATOM 766 CE1 TYR A 50 7.724 4.304 2.362 1.00 0.00 C ATOM 767 CE2 TYR A 50 9.631 5.748 1.967 1.00 0.00 C ATOM 768 CZ TYR A 50 8.720 5.159 2.850 1.00 0.00 C ATOM 769 OH TYR A 50 8.803 5.419 4.204 1.00 0.00 O ATOM 0 H TYR A 50 10.950 3.509 -2.179 1.00 0.00 H new ATOM 0 HA TYR A 50 8.576 2.237 -0.934 1.00 0.00 H new ATOM 0 HB2 TYR A 50 9.034 5.083 -1.932 1.00 0.00 H new ATOM 0 HB3 TYR A 50 7.427 4.423 -1.706 1.00 0.00 H new ATOM 0 HD1 TYR A 50 6.872 3.381 0.613 1.00 0.00 H new ATOM 0 HD2 TYR A 50 10.250 5.941 -0.087 1.00 0.00 H new ATOM 0 HE1 TYR A 50 7.021 3.849 3.044 1.00 0.00 H new ATOM 0 HE2 TYR A 50 10.400 6.406 2.344 1.00 0.00 H new ATOM 0 HH TYR A 50 9.550 6.030 4.375 1.00 0.00 H new ATOM 779 N TYR A 51 7.447 1.830 -3.148 1.00 0.00 N ATOM 780 CA TYR A 51 6.938 1.381 -4.439 1.00 0.00 C ATOM 781 C TYR A 51 5.464 1.744 -4.586 1.00 0.00 C ATOM 782 O TYR A 51 4.632 1.351 -3.768 1.00 0.00 O ATOM 783 CB TYR A 51 7.108 -0.134 -4.567 1.00 0.00 C ATOM 784 CG TYR A 51 6.303 -0.635 -5.742 1.00 0.00 C ATOM 785 CD1 TYR A 51 6.752 -0.404 -7.048 1.00 0.00 C ATOM 786 CD2 TYR A 51 5.108 -1.330 -5.525 1.00 0.00 C ATOM 787 CE1 TYR A 51 6.005 -0.869 -8.137 1.00 0.00 C ATOM 788 CE2 TYR A 51 4.361 -1.796 -6.615 1.00 0.00 C ATOM 789 CZ TYR A 51 4.810 -1.565 -7.921 1.00 0.00 C ATOM 790 OH TYR A 51 4.074 -2.022 -8.994 1.00 0.00 O ATOM 0 H TYR A 51 6.861 1.582 -2.351 1.00 0.00 H new ATOM 0 HA TYR A 51 7.504 1.878 -5.227 1.00 0.00 H new ATOM 0 HB2 TYR A 51 8.161 -0.382 -4.702 1.00 0.00 H new ATOM 0 HB3 TYR A 51 6.779 -0.626 -3.652 1.00 0.00 H new ATOM 0 HD1 TYR A 51 7.674 0.133 -7.215 1.00 0.00 H new ATOM 0 HD2 TYR A 51 4.762 -1.507 -4.518 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.351 -0.691 -9.144 1.00 0.00 H new ATOM 0 HE2 TYR A 51 3.439 -2.333 -6.448 1.00 0.00 H new ATOM 0 HH TYR A 51 3.405 -2.666 -8.681 1.00 0.00 H new ATOM 800 N ASN A 52 5.147 2.499 -5.633 1.00 0.00 N ATOM 801 CA ASN A 52 3.769 2.916 -5.872 1.00 0.00 C ATOM 802 C ASN A 52 3.054 1.922 -6.781 1.00 0.00 C ATOM 803 O ASN A 52 3.618 1.456 -7.772 1.00 0.00 O ATOM 804 CB ASN A 52 3.747 4.304 -6.515 1.00 0.00 C ATOM 805 CG ASN A 52 2.307 4.765 -6.710 1.00 0.00 C ATOM 806 OD1 ASN A 52 1.373 3.990 -6.501 1.00 0.00 O ATOM 807 ND2 ASN A 52 2.069 5.987 -7.100 1.00 0.00 N ATOM 0 H ASN A 52 5.819 2.832 -6.324 1.00 0.00 H new ATOM 0 HA ASN A 52 3.251 2.950 -4.914 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.283 5.014 -5.885 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.262 4.277 -7.475 1.00 0.00 H new ATOM 0 HD21 ASN A 52 1.108 6.302 -7.232 1.00 0.00 H new ATOM 0 HD22 ASN A 52 2.844 6.627 -7.273 1.00 0.00 H new ATOM 814 N ASP A 53 1.810 1.605 -6.439 1.00 0.00 N ATOM 815 CA ASP A 53 1.025 0.666 -7.232 1.00 0.00 C ATOM 816 C ASP A 53 -0.135 1.382 -7.915 1.00 0.00 C ATOM 817 O ASP A 53 -0.492 1.066 -9.050 1.00 0.00 O ATOM 818 CB ASP A 53 0.483 -0.451 -6.336 1.00 0.00 C ATOM 819 CG ASP A 53 -0.491 0.129 -5.315 1.00 0.00 C ATOM 820 OD1 ASP A 53 -0.404 1.317 -5.051 1.00 0.00 O ATOM 821 OD2 ASP A 53 -1.309 -0.624 -4.813 1.00 0.00 O ATOM 0 H ASP A 53 1.326 1.981 -5.624 1.00 0.00 H new ATOM 0 HA ASP A 53 1.672 0.235 -7.996 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -0.019 -1.205 -6.943 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.306 -0.950 -5.824 1.00 0.00 H new ATOM 826 N THR A 54 -0.719 2.350 -7.215 1.00 0.00 N ATOM 827 CA THR A 54 -1.841 3.105 -7.762 1.00 0.00 C ATOM 828 C THR A 54 -1.446 3.775 -9.074 1.00 0.00 C ATOM 829 O THR A 54 -0.482 4.541 -9.126 1.00 0.00 O ATOM 830 CB THR A 54 -2.292 4.169 -6.759 1.00 0.00 C ATOM 831 OG1 THR A 54 -1.152 4.827 -6.223 1.00 0.00 O ATOM 832 CG2 THR A 54 -3.079 3.506 -5.627 1.00 0.00 C ATOM 0 H THR A 54 -0.437 2.628 -6.275 1.00 0.00 H new ATOM 0 HA THR A 54 -2.662 2.414 -7.953 1.00 0.00 H new ATOM 0 HB THR A 54 -2.928 4.896 -7.263 1.00 0.00 H new ATOM 0 HG1 THR A 54 -0.346 4.511 -6.682 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.399 4.265 -4.913 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.954 3.002 -6.038 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.445 2.777 -5.121 1.00 0.00 H new ATOM 840 N THR A 55 -2.196 3.483 -10.131 1.00 0.00 N ATOM 841 CA THR A 55 -1.913 4.062 -11.439 1.00 0.00 C ATOM 842 C THR A 55 -2.790 5.285 -11.687 1.00 0.00 C ATOM 843 O THR A 55 -2.891 5.771 -12.814 1.00 0.00 O ATOM 844 CB THR A 55 -2.163 3.023 -12.534 1.00 0.00 C ATOM 845 OG1 THR A 55 -3.490 2.526 -12.419 1.00 0.00 O ATOM 846 CG2 THR A 55 -1.170 1.870 -12.383 1.00 0.00 C ATOM 0 H THR A 55 -2.998 2.854 -10.109 1.00 0.00 H new ATOM 0 HA THR A 55 -0.868 4.370 -11.460 1.00 0.00 H new ATOM 0 HB THR A 55 -2.031 3.487 -13.512 1.00 0.00 H new ATOM 0 HG1 THR A 55 -3.652 1.861 -13.121 1.00 0.00 H new ATOM 0 HG21 THR A 55 -1.349 1.131 -13.164 1.00 0.00 H new ATOM 0 HG22 THR A 55 -0.153 2.252 -12.472 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.299 1.404 -11.406 1.00 0.00 H new ATOM 854 N GLN A 56 -3.422 5.779 -10.626 1.00 0.00 N ATOM 855 CA GLN A 56 -4.286 6.949 -10.741 1.00 0.00 C ATOM 856 C GLN A 56 -3.871 8.022 -9.739 1.00 0.00 C ATOM 857 O GLN A 56 -4.305 9.171 -9.831 1.00 0.00 O ATOM 858 CB GLN A 56 -5.741 6.550 -10.489 1.00 0.00 C ATOM 859 CG GLN A 56 -5.785 5.351 -9.541 1.00 0.00 C ATOM 860 CD GLN A 56 -5.447 4.073 -10.301 1.00 0.00 C ATOM 861 OE1 GLN A 56 -4.771 3.129 -9.703 1.00 0.00 O flip ATOM 862 NE2 GLN A 56 -5.805 3.931 -11.470 1.00 0.00 N flip ATOM 0 H GLN A 56 -3.353 5.391 -9.685 1.00 0.00 H new ATOM 0 HA GLN A 56 -4.189 7.352 -11.749 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -6.289 7.388 -10.058 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -6.229 6.300 -11.431 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -5.078 5.496 -8.725 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -6.775 5.267 -9.094 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -6.333 4.670 -11.935 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -5.574 3.075 -11.974 1.00 0.00 H new ATOM 871 N TYR A 57 -3.033 7.640 -8.782 1.00 0.00 N ATOM 872 CA TYR A 57 -2.565 8.581 -7.771 1.00 0.00 C ATOM 873 C TYR A 57 -1.078 8.377 -7.495 1.00 0.00 C ATOM 874 O TYR A 57 -0.578 7.253 -7.527 1.00 0.00 O ATOM 875 CB TYR A 57 -3.356 8.393 -6.476 1.00 0.00 C ATOM 876 CG TYR A 57 -4.777 8.003 -6.805 1.00 0.00 C ATOM 877 CD1 TYR A 57 -5.623 8.917 -7.445 1.00 0.00 C ATOM 878 CD2 TYR A 57 -5.249 6.728 -6.472 1.00 0.00 C ATOM 879 CE1 TYR A 57 -6.940 8.556 -7.752 1.00 0.00 C ATOM 880 CE2 TYR A 57 -6.567 6.366 -6.779 1.00 0.00 C ATOM 881 CZ TYR A 57 -7.412 7.281 -7.418 1.00 0.00 C ATOM 882 OH TYR A 57 -8.711 6.926 -7.720 1.00 0.00 O ATOM 0 H TYR A 57 -2.666 6.693 -8.685 1.00 0.00 H new ATOM 0 HA TYR A 57 -2.718 9.593 -8.146 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -2.890 7.623 -5.861 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -3.346 9.315 -5.894 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -5.259 9.901 -7.702 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -4.597 6.023 -5.978 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -7.592 9.261 -8.246 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -6.931 5.382 -6.523 1.00 0.00 H new ATOM 0 HH TYR A 57 -8.877 6.007 -7.422 1.00 0.00 H new ATOM 892 N GLU A 58 -0.377 9.473 -7.221 1.00 0.00 N ATOM 893 CA GLU A 58 1.048 9.401 -6.915 1.00 0.00 C ATOM 894 C GLU A 58 1.265 9.292 -5.409 1.00 0.00 C ATOM 895 O GLU A 58 0.503 9.852 -4.621 1.00 0.00 O ATOM 896 CB GLU A 58 1.760 10.646 -7.448 1.00 0.00 C ATOM 897 CG GLU A 58 0.759 11.798 -7.560 1.00 0.00 C ATOM 898 CD GLU A 58 1.487 13.086 -7.931 1.00 0.00 C ATOM 899 OE1 GLU A 58 2.701 13.049 -8.028 1.00 0.00 O ATOM 900 OE2 GLU A 58 0.817 14.089 -8.114 1.00 0.00 O ATOM 0 H GLU A 58 -0.768 10.415 -7.204 1.00 0.00 H new ATOM 0 HA GLU A 58 1.461 8.514 -7.396 1.00 0.00 H new ATOM 0 HB2 GLU A 58 2.577 10.924 -6.782 1.00 0.00 H new ATOM 0 HB3 GLU A 58 2.200 10.437 -8.423 1.00 0.00 H new ATOM 0 HG2 GLU A 58 0.007 11.565 -8.314 1.00 0.00 H new ATOM 0 HG3 GLU A 58 0.233 11.927 -6.614 1.00 0.00 H new ATOM 907 N MET A 59 2.307 8.567 -5.018 1.00 0.00 N ATOM 908 CA MET A 59 2.608 8.385 -3.602 1.00 0.00 C ATOM 909 C MET A 59 3.636 9.410 -3.133 1.00 0.00 C ATOM 910 O MET A 59 4.770 9.431 -3.613 1.00 0.00 O ATOM 911 CB MET A 59 3.147 6.974 -3.361 1.00 0.00 C ATOM 912 CG MET A 59 1.977 6.013 -3.135 1.00 0.00 C ATOM 913 SD MET A 59 0.672 6.356 -4.341 1.00 0.00 S ATOM 914 CE MET A 59 -0.683 5.564 -3.439 1.00 0.00 C ATOM 0 H MET A 59 2.952 8.099 -5.654 1.00 0.00 H new ATOM 0 HA MET A 59 1.688 8.526 -3.035 1.00 0.00 H new ATOM 0 HB2 MET A 59 3.739 6.648 -4.216 1.00 0.00 H new ATOM 0 HB3 MET A 59 3.808 6.969 -2.495 1.00 0.00 H new ATOM 0 HG2 MET A 59 2.316 4.982 -3.233 1.00 0.00 H new ATOM 0 HG3 MET A 59 1.590 6.126 -2.122 1.00 0.00 H new ATOM 0 HE1 MET A 59 -1.632 5.823 -3.908 1.00 0.00 H new ATOM 0 HE2 MET A 59 -0.551 4.482 -3.460 1.00 0.00 H new ATOM 0 HE3 MET A 59 -0.683 5.910 -2.405 1.00 0.00 H new ATOM 924 N HIS A 60 3.233 10.257 -2.191 1.00 0.00 N ATOM 925 CA HIS A 60 4.132 11.269 -1.649 1.00 0.00 C ATOM 926 C HIS A 60 4.587 10.877 -0.247 1.00 0.00 C ATOM 927 O HIS A 60 3.765 10.652 0.641 1.00 0.00 O ATOM 928 CB HIS A 60 3.428 12.626 -1.601 1.00 0.00 C ATOM 929 CG HIS A 60 3.061 13.050 -2.996 1.00 0.00 C ATOM 930 ND1 HIS A 60 3.703 14.093 -3.644 1.00 0.00 N ATOM 931 CD2 HIS A 60 2.121 12.582 -3.881 1.00 0.00 C ATOM 932 CE1 HIS A 60 3.147 14.218 -4.864 1.00 0.00 C ATOM 933 NE2 HIS A 60 2.177 13.320 -5.059 1.00 0.00 N ATOM 0 H HIS A 60 2.295 10.263 -1.789 1.00 0.00 H new ATOM 0 HA HIS A 60 5.005 11.341 -2.298 1.00 0.00 H new ATOM 0 HB2 HIS A 60 2.533 12.562 -0.982 1.00 0.00 H new ATOM 0 HB3 HIS A 60 4.080 13.370 -1.143 1.00 0.00 H new ATOM 0 HD1 HIS A 60 4.460 14.663 -3.265 1.00 0.00 H new ATOM 0 HD2 HIS A 60 1.441 11.765 -3.691 1.00 0.00 H new ATOM 0 HE1 HIS A 60 3.448 14.954 -5.595 1.00 0.00 H new ATOM 942 N VAL A 61 5.900 10.794 -0.056 1.00 0.00 N ATOM 943 CA VAL A 61 6.448 10.405 1.239 1.00 0.00 C ATOM 944 C VAL A 61 7.038 11.613 1.962 1.00 0.00 C ATOM 945 O VAL A 61 7.777 12.401 1.374 1.00 0.00 O ATOM 946 CB VAL A 61 7.533 9.343 1.048 1.00 0.00 C ATOM 947 CG1 VAL A 61 8.245 9.093 2.378 1.00 0.00 C ATOM 948 CG2 VAL A 61 6.889 8.042 0.562 1.00 0.00 C ATOM 0 H VAL A 61 6.598 10.989 -0.774 1.00 0.00 H new ATOM 0 HA VAL A 61 5.639 9.996 1.844 1.00 0.00 H new ATOM 0 HB VAL A 61 8.256 9.691 0.311 1.00 0.00 H new ATOM 0 HG11 VAL A 61 9.017 8.336 2.241 1.00 0.00 H new ATOM 0 HG12 VAL A 61 8.702 10.019 2.726 1.00 0.00 H new ATOM 0 HG13 VAL A 61 7.524 8.745 3.117 1.00 0.00 H new ATOM 0 HG21 VAL A 61 7.660 7.284 0.425 1.00 0.00 H new ATOM 0 HG22 VAL A 61 6.166 7.696 1.301 1.00 0.00 H new ATOM 0 HG23 VAL A 61 6.382 8.219 -0.386 1.00 0.00 H new ATOM 958 N LEU A 62 6.706 11.746 3.242 1.00 0.00 N ATOM 959 CA LEU A 62 7.220 12.849 4.046 1.00 0.00 C ATOM 960 C LEU A 62 7.504 12.380 5.469 1.00 0.00 C ATOM 961 O LEU A 62 6.619 12.398 6.326 1.00 0.00 O ATOM 962 CB LEU A 62 6.206 13.994 4.074 1.00 0.00 C ATOM 963 CG LEU A 62 6.806 15.189 4.817 1.00 0.00 C ATOM 964 CD1 LEU A 62 7.893 15.833 3.954 1.00 0.00 C ATOM 965 CD2 LEU A 62 5.707 16.215 5.100 1.00 0.00 C ATOM 0 H LEU A 62 6.087 11.108 3.742 1.00 0.00 H new ATOM 0 HA LEU A 62 8.149 13.202 3.598 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.938 14.282 3.057 1.00 0.00 H new ATOM 0 HB3 LEU A 62 5.289 13.670 4.566 1.00 0.00 H new ATOM 0 HG LEU A 62 7.241 14.851 5.758 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.321 16.685 4.483 1.00 0.00 H new ATOM 0 HD12 LEU A 62 8.676 15.102 3.750 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.458 16.171 3.014 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.133 17.067 5.629 1.00 0.00 H new ATOM 0 HD22 LEU A 62 5.273 16.552 4.159 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.931 15.757 5.714 1.00 0.00 H new ATOM 977 N VAL A 63 8.739 11.958 5.713 1.00 0.00 N ATOM 978 CA VAL A 63 9.122 11.471 7.033 1.00 0.00 C ATOM 979 C VAL A 63 10.123 12.417 7.690 1.00 0.00 C ATOM 980 O VAL A 63 11.111 12.816 7.074 1.00 0.00 O ATOM 981 CB VAL A 63 9.739 10.077 6.915 1.00 0.00 C ATOM 982 CG1 VAL A 63 10.051 9.535 8.311 1.00 0.00 C ATOM 983 CG2 VAL A 63 8.750 9.142 6.214 1.00 0.00 C ATOM 0 H VAL A 63 9.487 11.943 5.020 1.00 0.00 H new ATOM 0 HA VAL A 63 8.227 11.424 7.653 1.00 0.00 H new ATOM 0 HB VAL A 63 10.660 10.135 6.335 1.00 0.00 H new ATOM 0 HG11 VAL A 63 10.491 8.541 8.226 1.00 0.00 H new ATOM 0 HG12 VAL A 63 10.754 10.201 8.811 1.00 0.00 H new ATOM 0 HG13 VAL A 63 9.131 9.476 8.892 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.188 8.147 6.129 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.829 9.085 6.795 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.528 9.527 5.219 1.00 0.00 H new ATOM 993 N THR A 64 9.861 12.768 8.944 1.00 0.00 N ATOM 994 CA THR A 64 10.752 13.656 9.683 1.00 0.00 C ATOM 995 C THR A 64 11.443 12.897 10.811 1.00 0.00 C ATOM 996 O THR A 64 10.796 12.190 11.583 1.00 0.00 O ATOM 997 CB THR A 64 9.960 14.829 10.264 1.00 0.00 C ATOM 998 OG1 THR A 64 9.275 15.501 9.215 1.00 0.00 O ATOM 999 CG2 THR A 64 10.918 15.801 10.955 1.00 0.00 C ATOM 0 H THR A 64 9.044 12.454 9.468 1.00 0.00 H new ATOM 0 HA THR A 64 11.508 14.036 8.997 1.00 0.00 H new ATOM 0 HB THR A 64 9.238 14.457 10.990 1.00 0.00 H new ATOM 0 HG1 THR A 64 8.766 16.252 9.585 1.00 0.00 H new ATOM 0 HG21 THR A 64 10.353 16.636 11.369 1.00 0.00 H new ATOM 0 HG22 THR A 64 11.443 15.285 11.759 1.00 0.00 H new ATOM 0 HG23 THR A 64 11.641 16.175 10.231 1.00 0.00 H new ATOM 1007 N PHE A 65 12.761 13.044 10.899 1.00 0.00 N ATOM 1008 CA PHE A 65 13.526 12.365 11.938 1.00 0.00 C ATOM 1009 C PHE A 65 14.160 13.374 12.890 1.00 0.00 C ATOM 1010 O PHE A 65 14.313 14.548 12.554 1.00 0.00 O ATOM 1011 CB PHE A 65 14.618 11.504 11.301 1.00 0.00 C ATOM 1012 CG PHE A 65 14.147 11.016 9.951 1.00 0.00 C ATOM 1013 CD1 PHE A 65 14.196 11.868 8.842 1.00 0.00 C ATOM 1014 CD2 PHE A 65 13.662 9.710 9.810 1.00 0.00 C ATOM 1015 CE1 PHE A 65 13.758 11.416 7.592 1.00 0.00 C ATOM 1016 CE2 PHE A 65 13.224 9.257 8.560 1.00 0.00 C ATOM 1017 CZ PHE A 65 13.273 10.110 7.450 1.00 0.00 C ATOM 0 H PHE A 65 13.317 13.622 10.269 1.00 0.00 H new ATOM 0 HA PHE A 65 12.846 11.730 12.506 1.00 0.00 H new ATOM 0 HB2 PHE A 65 15.535 12.083 11.191 1.00 0.00 H new ATOM 0 HB3 PHE A 65 14.851 10.656 11.946 1.00 0.00 H new ATOM 0 HD1 PHE A 65 14.572 12.875 8.951 1.00 0.00 H new ATOM 0 HD2 PHE A 65 13.626 9.052 10.666 1.00 0.00 H new ATOM 0 HE1 PHE A 65 13.794 12.075 6.737 1.00 0.00 H new ATOM 0 HE2 PHE A 65 12.848 8.250 8.451 1.00 0.00 H new ATOM 0 HZ PHE A 65 12.937 9.761 6.485 1.00 0.00 H new ATOM 1027 N ASN A 66 14.525 12.906 14.079 1.00 0.00 N ATOM 1028 CA ASN A 66 15.152 13.773 15.072 1.00 0.00 C ATOM 1029 C ASN A 66 16.606 14.048 14.703 1.00 0.00 C ATOM 1030 O ASN A 66 17.236 13.263 13.992 1.00 0.00 O ATOM 1031 CB ASN A 66 15.091 13.115 16.451 1.00 0.00 C ATOM 1032 CG ASN A 66 15.435 14.135 17.532 1.00 0.00 C ATOM 1033 OD1 ASN A 66 14.717 15.119 17.709 1.00 0.00 O ATOM 1034 ND2 ASN A 66 16.497 13.957 18.270 1.00 0.00 N ATOM 0 H ASN A 66 14.399 11.939 14.378 1.00 0.00 H new ATOM 0 HA ASN A 66 14.610 14.718 15.095 1.00 0.00 H new ATOM 0 HB2 ASN A 66 14.094 12.710 16.626 1.00 0.00 H new ATOM 0 HB3 ASN A 66 15.788 12.278 16.495 1.00 0.00 H new ATOM 0 HD21 ASN A 66 16.733 14.634 18.995 1.00 0.00 H new ATOM 0 HD22 ASN A 66 17.090 13.141 18.121 1.00 0.00 H new ATOM 1041 N GLU A 67 17.134 15.166 15.190 1.00 0.00 N ATOM 1042 CA GLU A 67 18.515 15.534 14.906 1.00 0.00 C ATOM 1043 C GLU A 67 19.447 14.355 15.170 1.00 0.00 C ATOM 1044 O GLU A 67 20.332 14.060 14.368 1.00 0.00 O ATOM 1045 CB GLU A 67 18.930 16.719 15.779 1.00 0.00 C ATOM 1046 CG GLU A 67 20.455 16.842 15.784 1.00 0.00 C ATOM 1047 CD GLU A 67 20.863 18.244 16.224 1.00 0.00 C ATOM 1048 OE1 GLU A 67 19.998 18.979 16.668 1.00 0.00 O ATOM 1049 OE2 GLU A 67 22.036 18.561 16.109 1.00 0.00 O ATOM 0 H GLU A 67 16.630 15.829 15.779 1.00 0.00 H new ATOM 0 HA GLU A 67 18.588 15.814 13.855 1.00 0.00 H new ATOM 0 HB2 GLU A 67 18.482 17.638 15.400 1.00 0.00 H new ATOM 0 HB3 GLU A 67 18.563 16.581 16.796 1.00 0.00 H new ATOM 0 HG2 GLU A 67 20.886 16.101 16.457 1.00 0.00 H new ATOM 0 HG3 GLU A 67 20.848 16.635 14.789 1.00 0.00 H new ATOM 1056 N ASP A 68 19.240 13.687 16.299 1.00 0.00 N ATOM 1057 CA ASP A 68 20.069 12.543 16.661 1.00 0.00 C ATOM 1058 C ASP A 68 19.621 11.296 15.906 1.00 0.00 C ATOM 1059 O ASP A 68 18.995 10.404 16.478 1.00 0.00 O ATOM 1060 CB ASP A 68 19.979 12.290 18.167 1.00 0.00 C ATOM 1061 CG ASP A 68 20.983 11.217 18.577 1.00 0.00 C ATOM 1062 OD1 ASP A 68 21.692 10.734 17.710 1.00 0.00 O ATOM 1063 OD2 ASP A 68 21.027 10.893 19.753 1.00 0.00 O ATOM 0 H ASP A 68 18.511 13.915 16.975 1.00 0.00 H new ATOM 0 HA ASP A 68 21.101 12.766 16.391 1.00 0.00 H new ATOM 0 HB2 ASP A 68 20.178 13.213 18.712 1.00 0.00 H new ATOM 0 HB3 ASP A 68 18.970 11.975 18.431 1.00 0.00 H new ATOM 1068 N CYS A 69 19.944 11.241 14.618 1.00 0.00 N ATOM 1069 CA CYS A 69 19.583 10.090 13.799 1.00 0.00 C ATOM 1070 C CYS A 69 20.547 9.943 12.625 1.00 0.00 C ATOM 1071 O CYS A 69 20.603 10.801 11.745 1.00 0.00 O ATOM 1072 CB CYS A 69 18.157 10.249 13.273 1.00 0.00 C ATOM 1073 SG CYS A 69 17.049 10.659 14.645 1.00 0.00 S ATOM 0 H CYS A 69 20.451 11.974 14.122 1.00 0.00 H new ATOM 0 HA CYS A 69 19.643 9.195 14.418 1.00 0.00 H new ATOM 0 HB2 CYS A 69 18.122 11.033 12.517 1.00 0.00 H new ATOM 0 HB3 CYS A 69 17.831 9.327 12.791 1.00 0.00 H new ATOM 0 HG CYS A 69 17.633 10.381 15.773 1.00 0.00 H new ATOM 1079 N ASP A 70 21.304 8.850 12.621 1.00 0.00 N ATOM 1080 CA ASP A 70 22.267 8.605 11.553 1.00 0.00 C ATOM 1081 C ASP A 70 21.556 8.123 10.293 1.00 0.00 C ATOM 1082 O ASP A 70 21.518 6.926 10.010 1.00 0.00 O ATOM 1083 CB ASP A 70 23.287 7.556 12.000 1.00 0.00 C ATOM 1084 CG ASP A 70 24.327 8.196 12.914 1.00 0.00 C ATOM 1085 OD1 ASP A 70 24.226 9.388 13.149 1.00 0.00 O ATOM 1086 OD2 ASP A 70 25.207 7.483 13.366 1.00 0.00 O ATOM 0 H ASP A 70 21.270 8.126 13.338 1.00 0.00 H new ATOM 0 HA ASP A 70 22.782 9.540 11.331 1.00 0.00 H new ATOM 0 HB2 ASP A 70 22.781 6.745 12.523 1.00 0.00 H new ATOM 0 HB3 ASP A 70 23.776 7.118 11.130 1.00 0.00 H new ATOM 1091 N ILE A 71 20.990 9.064 9.543 1.00 0.00 N ATOM 1092 CA ILE A 71 20.278 8.724 8.317 1.00 0.00 C ATOM 1093 C ILE A 71 20.864 9.481 7.129 1.00 0.00 C ATOM 1094 O ILE A 71 21.453 10.549 7.291 1.00 0.00 O ATOM 1095 CB ILE A 71 18.795 9.069 8.465 1.00 0.00 C ATOM 1096 CG1 ILE A 71 18.648 10.563 8.765 1.00 0.00 C ATOM 1097 CG2 ILE A 71 18.194 8.257 9.615 1.00 0.00 C ATOM 1098 CD1 ILE A 71 17.168 10.904 8.947 1.00 0.00 C ATOM 0 H ILE A 71 21.010 10.060 9.761 1.00 0.00 H new ATOM 0 HA ILE A 71 20.387 7.654 8.139 1.00 0.00 H new ATOM 0 HB ILE A 71 18.272 8.830 7.539 1.00 0.00 H new ATOM 0 HG12 ILE A 71 19.205 10.820 9.666 1.00 0.00 H new ATOM 0 HG13 ILE A 71 19.070 11.152 7.950 1.00 0.00 H new ATOM 0 HG21 ILE A 71 17.137 8.503 9.721 1.00 0.00 H new ATOM 0 HG22 ILE A 71 18.300 7.193 9.403 1.00 0.00 H new ATOM 0 HG23 ILE A 71 18.716 8.496 10.541 1.00 0.00 H new ATOM 0 HD11 ILE A 71 17.063 11.968 9.161 1.00 0.00 H new ATOM 0 HD12 ILE A 71 16.624 10.662 8.034 1.00 0.00 H new ATOM 0 HD13 ILE A 71 16.761 10.326 9.776 1.00 0.00 H new ATOM 1110 N LYS A 72 20.697 8.919 5.936 1.00 0.00 N ATOM 1111 CA LYS A 72 21.219 9.550 4.728 1.00 0.00 C ATOM 1112 C LYS A 72 20.124 9.680 3.674 1.00 0.00 C ATOM 1113 O LYS A 72 19.038 9.119 3.820 1.00 0.00 O ATOM 1114 CB LYS A 72 22.374 8.720 4.164 1.00 0.00 C ATOM 1115 CG LYS A 72 23.533 8.714 5.162 1.00 0.00 C ATOM 1116 CD LYS A 72 24.572 7.676 4.732 1.00 0.00 C ATOM 1117 CE LYS A 72 25.040 7.982 3.307 1.00 0.00 C ATOM 1118 NZ LYS A 72 25.182 9.455 3.137 1.00 0.00 N ATOM 0 H LYS A 72 20.209 8.037 5.780 1.00 0.00 H new ATOM 0 HA LYS A 72 21.578 10.546 4.988 1.00 0.00 H new ATOM 0 HB2 LYS A 72 22.042 7.700 3.970 1.00 0.00 H new ATOM 0 HB3 LYS A 72 22.703 9.135 3.211 1.00 0.00 H new ATOM 0 HG2 LYS A 72 23.990 9.702 5.211 1.00 0.00 H new ATOM 0 HG3 LYS A 72 23.165 8.483 6.162 1.00 0.00 H new ATOM 0 HD2 LYS A 72 25.421 7.690 5.416 1.00 0.00 H new ATOM 0 HD3 LYS A 72 24.143 6.675 4.778 1.00 0.00 H new ATOM 0 HE2 LYS A 72 25.992 7.489 3.112 1.00 0.00 H new ATOM 0 HE3 LYS A 72 24.324 7.589 2.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 25.893 9.653 2.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 24.268 9.861 2.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 25.485 9.881 4.036 1.00 0.00 H new ATOM 1132 N ALA A 73 20.417 10.422 2.610 1.00 0.00 N ATOM 1133 CA ALA A 73 19.448 10.622 1.539 1.00 0.00 C ATOM 1134 C ALA A 73 19.842 9.816 0.305 1.00 0.00 C ATOM 1135 O ALA A 73 21.022 9.713 -0.030 1.00 0.00 O ATOM 1136 CB ALA A 73 19.369 12.107 1.177 1.00 0.00 C ATOM 0 H ALA A 73 21.311 10.891 2.467 1.00 0.00 H new ATOM 0 HA ALA A 73 18.473 10.281 1.887 1.00 0.00 H new ATOM 0 HB1 ALA A 73 18.643 12.248 0.376 1.00 0.00 H new ATOM 0 HB2 ALA A 73 19.060 12.679 2.052 1.00 0.00 H new ATOM 0 HB3 ALA A 73 20.348 12.453 0.845 1.00 0.00 H new ATOM 1142 N LEU A 74 18.847 9.246 -0.366 1.00 0.00 N ATOM 1143 CA LEU A 74 19.101 8.454 -1.563 1.00 0.00 C ATOM 1144 C LEU A 74 18.375 9.049 -2.765 1.00 0.00 C ATOM 1145 O LEU A 74 17.602 9.998 -2.629 1.00 0.00 O ATOM 1146 CB LEU A 74 18.637 7.013 -1.344 1.00 0.00 C ATOM 1147 CG LEU A 74 19.067 6.546 0.048 1.00 0.00 C ATOM 1148 CD1 LEU A 74 18.405 5.204 0.366 1.00 0.00 C ATOM 1149 CD2 LEU A 74 20.589 6.384 0.081 1.00 0.00 C ATOM 0 H LEU A 74 17.864 9.317 -0.104 1.00 0.00 H new ATOM 0 HA LEU A 74 20.173 8.464 -1.761 1.00 0.00 H new ATOM 0 HB2 LEU A 74 17.553 6.949 -1.442 1.00 0.00 H new ATOM 0 HB3 LEU A 74 19.065 6.362 -2.106 1.00 0.00 H new ATOM 0 HG LEU A 74 18.762 7.284 0.789 1.00 0.00 H new ATOM 0 HD11 LEU A 74 18.712 4.873 1.358 1.00 0.00 H new ATOM 0 HD12 LEU A 74 17.321 5.318 0.341 1.00 0.00 H new ATOM 0 HD13 LEU A 74 18.709 4.464 -0.374 1.00 0.00 H new ATOM 0 HD21 LEU A 74 20.898 6.051 1.072 1.00 0.00 H new ATOM 0 HD22 LEU A 74 20.892 5.645 -0.661 1.00 0.00 H new ATOM 0 HD23 LEU A 74 21.062 7.340 -0.145 1.00 0.00 H new ATOM 1161 N GLY A 75 18.627 8.485 -3.942 1.00 0.00 N ATOM 1162 CA GLY A 75 17.976 8.956 -5.159 1.00 0.00 C ATOM 1163 C GLY A 75 17.854 10.476 -5.159 1.00 0.00 C ATOM 1164 O GLY A 75 18.789 11.182 -4.781 1.00 0.00 O ATOM 0 H GLY A 75 19.272 7.707 -4.079 1.00 0.00 H new ATOM 0 HA2 GLY A 75 18.547 8.633 -6.030 1.00 0.00 H new ATOM 0 HA3 GLY A 75 16.986 8.508 -5.243 1.00 0.00 H new ATOM 1168 N LYS A 76 16.697 10.973 -5.584 1.00 0.00 N ATOM 1169 CA LYS A 76 16.466 12.412 -5.630 1.00 0.00 C ATOM 1170 C LYS A 76 15.964 12.916 -4.281 1.00 0.00 C ATOM 1171 O LYS A 76 15.773 14.116 -4.088 1.00 0.00 O ATOM 1172 CB LYS A 76 15.438 12.740 -6.715 1.00 0.00 C ATOM 1173 CG LYS A 76 14.250 11.783 -6.601 1.00 0.00 C ATOM 1174 CD LYS A 76 12.980 12.488 -7.083 1.00 0.00 C ATOM 1175 CE LYS A 76 13.115 12.824 -8.569 1.00 0.00 C ATOM 1176 NZ LYS A 76 14.027 13.991 -8.733 1.00 0.00 N ATOM 0 H LYS A 76 15.910 10.405 -5.899 1.00 0.00 H new ATOM 0 HA LYS A 76 17.409 12.907 -5.862 1.00 0.00 H new ATOM 0 HB2 LYS A 76 15.099 13.771 -6.610 1.00 0.00 H new ATOM 0 HB3 LYS A 76 15.895 12.654 -7.701 1.00 0.00 H new ATOM 0 HG2 LYS A 76 14.431 10.889 -7.197 1.00 0.00 H new ATOM 0 HG3 LYS A 76 14.129 11.458 -5.568 1.00 0.00 H new ATOM 0 HD2 LYS A 76 12.113 11.848 -6.921 1.00 0.00 H new ATOM 0 HD3 LYS A 76 12.816 13.399 -6.507 1.00 0.00 H new ATOM 0 HE2 LYS A 76 13.506 11.964 -9.113 1.00 0.00 H new ATOM 0 HE3 LYS A 76 12.136 13.051 -8.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 13.646 14.630 -9.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 14.104 14.501 -7.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 14.968 13.658 -9.023 1.00 0.00 H new ATOM 1190 N THR A 77 15.755 11.991 -3.350 1.00 0.00 N ATOM 1191 CA THR A 77 15.265 12.351 -2.025 1.00 0.00 C ATOM 1192 C THR A 77 16.025 13.558 -1.483 1.00 0.00 C ATOM 1193 O THR A 77 17.237 13.498 -1.276 1.00 0.00 O ATOM 1194 CB THR A 77 15.430 11.170 -1.067 1.00 0.00 C ATOM 1195 OG1 THR A 77 14.893 9.999 -1.668 1.00 0.00 O ATOM 1196 CG2 THR A 77 14.689 11.461 0.238 1.00 0.00 C ATOM 0 H THR A 77 15.916 10.993 -3.487 1.00 0.00 H new ATOM 0 HA THR A 77 14.209 12.607 -2.106 1.00 0.00 H new ATOM 0 HB THR A 77 16.488 11.019 -0.854 1.00 0.00 H new ATOM 0 HG1 THR A 77 15.596 9.537 -2.171 1.00 0.00 H new ATOM 0 HG21 THR A 77 14.808 10.619 0.919 1.00 0.00 H new ATOM 0 HG22 THR A 77 15.100 12.360 0.697 1.00 0.00 H new ATOM 0 HG23 THR A 77 13.630 11.612 0.029 1.00 0.00 H new ATOM 1204 N LYS A 78 15.306 14.652 -1.257 1.00 0.00 N ATOM 1205 CA LYS A 78 15.923 15.865 -0.735 1.00 0.00 C ATOM 1206 C LYS A 78 16.004 15.814 0.787 1.00 0.00 C ATOM 1207 O LYS A 78 14.994 15.628 1.465 1.00 0.00 O ATOM 1208 CB LYS A 78 15.113 17.090 -1.165 1.00 0.00 C ATOM 1209 CG LYS A 78 15.873 18.363 -0.785 1.00 0.00 C ATOM 1210 CD LYS A 78 15.042 19.588 -1.170 1.00 0.00 C ATOM 1211 CE LYS A 78 15.863 20.857 -0.936 1.00 0.00 C ATOM 1212 NZ LYS A 78 17.109 20.800 -1.752 1.00 0.00 N ATOM 0 H LYS A 78 14.303 14.724 -1.426 1.00 0.00 H new ATOM 0 HA LYS A 78 16.933 15.938 -1.138 1.00 0.00 H new ATOM 0 HB2 LYS A 78 14.939 17.065 -2.241 1.00 0.00 H new ATOM 0 HB3 LYS A 78 14.135 17.080 -0.684 1.00 0.00 H new ATOM 0 HG2 LYS A 78 16.078 18.371 0.286 1.00 0.00 H new ATOM 0 HG3 LYS A 78 16.837 18.390 -1.294 1.00 0.00 H new ATOM 0 HD2 LYS A 78 14.743 19.523 -2.216 1.00 0.00 H new ATOM 0 HD3 LYS A 78 14.127 19.620 -0.579 1.00 0.00 H new ATOM 0 HE2 LYS A 78 15.278 21.736 -1.206 1.00 0.00 H new ATOM 0 HE3 LYS A 78 16.112 20.952 0.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 17.446 21.766 -1.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 17.840 20.273 -1.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 16.912 20.321 -2.654 1.00 0.00 H new ATOM 1226 N LEU A 79 17.212 15.977 1.316 1.00 0.00 N ATOM 1227 CA LEU A 79 17.413 15.940 2.761 1.00 0.00 C ATOM 1228 C LEU A 79 17.973 17.269 3.257 1.00 0.00 C ATOM 1229 O LEU A 79 18.934 17.797 2.699 1.00 0.00 O ATOM 1230 CB LEU A 79 18.377 14.810 3.124 1.00 0.00 C ATOM 1231 CG LEU A 79 18.643 14.829 4.630 1.00 0.00 C ATOM 1232 CD1 LEU A 79 17.319 14.683 5.383 1.00 0.00 C ATOM 1233 CD2 LEU A 79 19.569 13.669 4.999 1.00 0.00 C ATOM 0 H LEU A 79 18.060 16.135 0.772 1.00 0.00 H new ATOM 0 HA LEU A 79 16.450 15.763 3.240 1.00 0.00 H new ATOM 0 HB2 LEU A 79 17.954 13.849 2.831 1.00 0.00 H new ATOM 0 HB3 LEU A 79 19.313 14.927 2.577 1.00 0.00 H new ATOM 0 HG LEU A 79 19.115 15.772 4.904 1.00 0.00 H new ATOM 0 HD11 LEU A 79 17.508 14.696 6.456 1.00 0.00 H new ATOM 0 HD12 LEU A 79 16.658 15.509 5.120 1.00 0.00 H new ATOM 0 HD13 LEU A 79 16.847 13.739 5.109 1.00 0.00 H new ATOM 0 HD21 LEU A 79 19.759 13.682 6.072 1.00 0.00 H new ATOM 0 HD22 LEU A 79 19.097 12.725 4.726 1.00 0.00 H new ATOM 0 HD23 LEU A 79 20.512 13.772 4.462 1.00 0.00 H new ATOM 1245 N GLU A 80 17.366 17.803 4.312 1.00 0.00 N ATOM 1246 CA GLU A 80 17.814 19.069 4.879 1.00 0.00 C ATOM 1247 C GLU A 80 17.500 19.129 6.370 1.00 0.00 C ATOM 1248 O GLU A 80 16.573 18.473 6.846 1.00 0.00 O ATOM 1249 CB GLU A 80 17.127 20.234 4.163 1.00 0.00 C ATOM 1250 CG GLU A 80 15.610 20.050 4.227 1.00 0.00 C ATOM 1251 CD GLU A 80 14.917 21.152 3.434 1.00 0.00 C ATOM 1252 OE1 GLU A 80 15.609 22.041 2.962 1.00 0.00 O ATOM 1253 OE2 GLU A 80 13.705 21.092 3.307 1.00 0.00 O ATOM 0 H GLU A 80 16.568 17.382 4.788 1.00 0.00 H new ATOM 0 HA GLU A 80 18.893 19.145 4.743 1.00 0.00 H new ATOM 0 HB2 GLU A 80 17.409 21.178 4.629 1.00 0.00 H new ATOM 0 HB3 GLU A 80 17.455 20.280 3.124 1.00 0.00 H new ATOM 0 HG2 GLU A 80 15.337 19.074 3.825 1.00 0.00 H new ATOM 0 HG3 GLU A 80 15.276 20.072 5.264 1.00 0.00 H new ATOM 1260 N GLN A 81 18.278 19.918 7.103 1.00 0.00 N ATOM 1261 CA GLN A 81 18.075 20.054 8.540 1.00 0.00 C ATOM 1262 C GLN A 81 17.422 21.393 8.867 1.00 0.00 C ATOM 1263 O GLN A 81 17.608 22.376 8.150 1.00 0.00 O ATOM 1264 CB GLN A 81 19.416 19.947 9.269 1.00 0.00 C ATOM 1265 CG GLN A 81 19.173 19.876 10.778 1.00 0.00 C ATOM 1266 CD GLN A 81 20.499 19.720 11.513 1.00 0.00 C ATOM 1267 OE1 GLN A 81 21.539 19.519 10.885 1.00 0.00 O ATOM 1268 NE2 GLN A 81 20.528 19.802 12.816 1.00 0.00 N ATOM 0 H GLN A 81 19.050 20.470 6.729 1.00 0.00 H new ATOM 0 HA GLN A 81 17.416 19.252 8.871 1.00 0.00 H new ATOM 0 HB2 GLN A 81 19.954 19.060 8.935 1.00 0.00 H new ATOM 0 HB3 GLN A 81 20.041 20.808 9.031 1.00 0.00 H new ATOM 0 HG2 GLN A 81 18.665 20.779 11.116 1.00 0.00 H new ATOM 0 HG3 GLN A 81 18.518 19.036 11.010 1.00 0.00 H new ATOM 0 HE21 GLN A 81 19.666 19.969 13.336 1.00 0.00 H new ATOM 0 HE22 GLN A 81 21.412 19.700 13.314 1.00 0.00 H new ATOM 1277 N GLN A 82 16.657 21.422 9.953 1.00 0.00 N ATOM 1278 CA GLN A 82 15.980 22.647 10.365 1.00 0.00 C ATOM 1279 C GLN A 82 16.728 23.311 11.517 1.00 0.00 C ATOM 1280 O GLN A 82 17.639 22.723 12.098 1.00 0.00 O ATOM 1281 CB GLN A 82 14.548 22.331 10.800 1.00 0.00 C ATOM 1282 CG GLN A 82 13.968 21.242 9.894 1.00 0.00 C ATOM 1283 CD GLN A 82 14.090 21.661 8.433 1.00 0.00 C ATOM 1284 OE1 GLN A 82 14.580 20.822 7.562 1.00 0.00 O flip ATOM 1285 NE2 GLN A 82 13.728 22.782 8.075 1.00 0.00 N flip ATOM 0 H GLN A 82 16.491 20.619 10.560 1.00 0.00 H new ATOM 0 HA GLN A 82 15.960 23.331 9.517 1.00 0.00 H new ATOM 0 HB2 GLN A 82 14.537 21.999 11.838 1.00 0.00 H new ATOM 0 HB3 GLN A 82 13.933 23.230 10.746 1.00 0.00 H new ATOM 0 HG2 GLN A 82 14.496 20.302 10.057 1.00 0.00 H new ATOM 0 HG3 GLN A 82 12.922 21.067 10.145 1.00 0.00 H new ATOM 0 HE21 GLN A 82 13.345 23.436 8.757 1.00 0.00 H new ATOM 0 HE22 GLN A 82 13.811 23.056 7.096 1.00 0.00 H new ATOM 1294 N GLU A 83 16.337 24.539 11.840 1.00 0.00 N ATOM 1295 CA GLU A 83 16.979 25.275 12.924 1.00 0.00 C ATOM 1296 C GLU A 83 16.687 24.612 14.266 1.00 0.00 C ATOM 1297 O GLU A 83 17.532 24.605 15.162 1.00 0.00 O ATOM 1298 CB GLU A 83 16.477 26.719 12.944 1.00 0.00 C ATOM 1299 CG GLU A 83 14.992 26.739 13.311 1.00 0.00 C ATOM 1300 CD GLU A 83 14.427 28.142 13.117 1.00 0.00 C ATOM 1301 OE1 GLU A 83 15.200 29.034 12.810 1.00 0.00 O ATOM 1302 OE2 GLU A 83 13.227 28.303 13.276 1.00 0.00 O ATOM 0 H GLU A 83 15.584 25.043 11.371 1.00 0.00 H new ATOM 0 HA GLU A 83 18.056 25.269 12.756 1.00 0.00 H new ATOM 0 HB2 GLU A 83 17.048 27.304 13.665 1.00 0.00 H new ATOM 0 HB3 GLU A 83 16.627 27.181 11.968 1.00 0.00 H new ATOM 0 HG2 GLU A 83 14.446 26.029 12.690 1.00 0.00 H new ATOM 0 HG3 GLU A 83 14.860 26.425 14.346 1.00 0.00 H new ATOM 1309 N ASN A 84 15.486 24.059 14.397 1.00 0.00 N ATOM 1310 CA ASN A 84 15.090 23.400 15.637 1.00 0.00 C ATOM 1311 C ASN A 84 15.922 22.141 15.863 1.00 0.00 C ATOM 1312 O ASN A 84 16.088 21.691 16.997 1.00 0.00 O ATOM 1313 CB ASN A 84 13.607 23.029 15.580 1.00 0.00 C ATOM 1314 CG ASN A 84 13.289 22.358 14.249 1.00 0.00 C ATOM 1315 OD1 ASN A 84 13.857 21.223 13.949 1.00 0.00 O flip ATOM 1316 ND2 ASN A 84 12.501 22.882 13.461 1.00 0.00 N flip ATOM 0 H ASN A 84 14.774 24.053 13.666 1.00 0.00 H new ATOM 0 HA ASN A 84 15.261 24.089 16.464 1.00 0.00 H new ATOM 0 HB2 ASN A 84 13.359 22.359 16.403 1.00 0.00 H new ATOM 0 HB3 ASN A 84 12.995 23.923 15.702 1.00 0.00 H new ATOM 0 HD21 ASN A 84 12.058 23.770 13.698 1.00 0.00 H new ATOM 0 HD22 ASN A 84 12.291 22.428 12.572 1.00 0.00 H new ATOM 1323 N GLY A 85 16.442 21.579 14.777 1.00 0.00 N ATOM 1324 CA GLY A 85 17.264 20.378 14.871 1.00 0.00 C ATOM 1325 C GLY A 85 16.463 19.138 14.493 1.00 0.00 C ATOM 1326 O GLY A 85 16.243 18.253 15.319 1.00 0.00 O ATOM 0 H GLY A 85 16.311 21.932 13.829 1.00 0.00 H new ATOM 0 HA2 GLY A 85 18.128 20.472 14.213 1.00 0.00 H new ATOM 0 HA3 GLY A 85 17.646 20.273 15.886 1.00 0.00 H new ATOM 1330 N GLU A 86 16.026 19.082 13.238 1.00 0.00 N ATOM 1331 CA GLU A 86 15.263 17.936 12.756 1.00 0.00 C ATOM 1332 C GLU A 86 15.609 17.635 11.301 1.00 0.00 C ATOM 1333 O GLU A 86 15.907 18.542 10.524 1.00 0.00 O ATOM 1334 CB GLU A 86 13.765 18.219 12.877 1.00 0.00 C ATOM 1335 CG GLU A 86 13.365 18.235 14.354 1.00 0.00 C ATOM 1336 CD GLU A 86 11.865 18.475 14.485 1.00 0.00 C ATOM 1337 OE1 GLU A 86 11.242 18.774 13.479 1.00 0.00 O ATOM 1338 OE2 GLU A 86 11.359 18.356 15.589 1.00 0.00 O ATOM 0 H GLU A 86 16.186 19.810 12.542 1.00 0.00 H new ATOM 0 HA GLU A 86 15.520 17.070 13.366 1.00 0.00 H new ATOM 0 HB2 GLU A 86 13.527 19.177 12.415 1.00 0.00 H new ATOM 0 HB3 GLU A 86 13.196 17.457 12.344 1.00 0.00 H new ATOM 0 HG2 GLU A 86 13.632 17.288 14.822 1.00 0.00 H new ATOM 0 HG3 GLU A 86 13.914 19.016 14.880 1.00 0.00 H new ATOM 1345 N TRP A 87 15.564 16.358 10.940 1.00 0.00 N ATOM 1346 CA TRP A 87 15.869 15.950 9.573 1.00 0.00 C ATOM 1347 C TRP A 87 14.585 15.640 8.809 1.00 0.00 C ATOM 1348 O TRP A 87 13.673 15.005 9.340 1.00 0.00 O ATOM 1349 CB TRP A 87 16.769 14.712 9.584 1.00 0.00 C ATOM 1350 CG TRP A 87 18.145 15.100 10.022 1.00 0.00 C ATOM 1351 CD1 TRP A 87 18.665 14.862 11.247 1.00 0.00 C ATOM 1352 CD2 TRP A 87 19.180 15.793 9.265 1.00 0.00 C ATOM 1353 NE1 TRP A 87 19.953 15.365 11.292 1.00 0.00 N ATOM 1354 CE2 TRP A 87 20.315 15.948 10.094 1.00 0.00 C ATOM 1355 CE3 TRP A 87 19.241 16.297 7.953 1.00 0.00 C ATOM 1356 CZ2 TRP A 87 21.472 16.581 9.637 1.00 0.00 C ATOM 1357 CZ3 TRP A 87 20.404 16.934 7.491 1.00 0.00 C ATOM 1358 CH2 TRP A 87 21.518 17.075 8.331 1.00 0.00 C ATOM 0 H TRP A 87 15.321 15.592 11.569 1.00 0.00 H new ATOM 0 HA TRP A 87 16.387 16.770 9.076 1.00 0.00 H new ATOM 0 HB2 TRP A 87 16.361 13.958 10.257 1.00 0.00 H new ATOM 0 HB3 TRP A 87 16.804 14.266 8.590 1.00 0.00 H new ATOM 0 HD1 TRP A 87 18.158 14.361 12.058 1.00 0.00 H new ATOM 0 HE1 TRP A 87 20.560 15.312 12.110 1.00 0.00 H new ATOM 0 HE3 TRP A 87 18.389 16.193 7.298 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 22.326 16.688 10.289 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 20.441 17.318 6.482 1.00 0.00 H new ATOM 0 HH2 TRP A 87 22.410 17.565 7.969 1.00 0.00 H new ATOM 1369 N VAL A 88 14.520 16.091 7.561 1.00 0.00 N ATOM 1370 CA VAL A 88 13.336 15.869 6.740 1.00 0.00 C ATOM 1371 C VAL A 88 13.725 15.311 5.375 1.00 0.00 C ATOM 1372 O VAL A 88 14.642 15.814 4.726 1.00 0.00 O ATOM 1373 CB VAL A 88 12.573 17.183 6.558 1.00 0.00 C ATOM 1374 CG1 VAL A 88 11.391 16.961 5.612 1.00 0.00 C ATOM 1375 CG2 VAL A 88 12.056 17.664 7.915 1.00 0.00 C ATOM 0 H VAL A 88 15.267 16.609 7.099 1.00 0.00 H new ATOM 0 HA VAL A 88 12.698 15.145 7.246 1.00 0.00 H new ATOM 0 HB VAL A 88 13.240 17.934 6.135 1.00 0.00 H new ATOM 0 HG11 VAL A 88 10.848 17.897 5.483 1.00 0.00 H new ATOM 0 HG12 VAL A 88 11.758 16.618 4.645 1.00 0.00 H new ATOM 0 HG13 VAL A 88 10.724 16.210 6.034 1.00 0.00 H new ATOM 0 HG21 VAL A 88 11.512 18.600 7.786 1.00 0.00 H new ATOM 0 HG22 VAL A 88 11.389 16.912 8.338 1.00 0.00 H new ATOM 0 HG23 VAL A 88 12.897 17.823 8.589 1.00 0.00 H new ATOM 1385 N ALA A 89 13.022 14.267 4.946 1.00 0.00 N ATOM 1386 CA ALA A 89 13.296 13.654 3.652 1.00 0.00 C ATOM 1387 C ALA A 89 11.997 13.417 2.887 1.00 0.00 C ATOM 1388 O ALA A 89 11.216 12.531 3.231 1.00 0.00 O ATOM 1389 CB ALA A 89 14.024 12.323 3.847 1.00 0.00 C ATOM 0 H ALA A 89 12.264 13.831 5.471 1.00 0.00 H new ATOM 0 HA ALA A 89 13.927 14.332 3.077 1.00 0.00 H new ATOM 0 HB1 ALA A 89 14.225 11.872 2.875 1.00 0.00 H new ATOM 0 HB2 ALA A 89 14.966 12.496 4.368 1.00 0.00 H new ATOM 0 HB3 ALA A 89 13.401 11.651 4.437 1.00 0.00 H new ATOM 1395 N SER A 90 11.774 14.217 1.849 1.00 0.00 N ATOM 1396 CA SER A 90 10.559 14.096 1.053 1.00 0.00 C ATOM 1397 C SER A 90 10.891 13.668 -0.373 1.00 0.00 C ATOM 1398 O SER A 90 11.909 14.074 -0.932 1.00 0.00 O ATOM 1399 CB SER A 90 9.817 15.432 1.025 1.00 0.00 C ATOM 1400 OG SER A 90 10.517 16.340 0.184 1.00 0.00 O ATOM 0 H SER A 90 12.413 14.950 1.542 1.00 0.00 H new ATOM 0 HA SER A 90 9.924 13.337 1.510 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.800 15.289 0.659 1.00 0.00 H new ATOM 0 HB3 SER A 90 9.738 15.839 2.033 1.00 0.00 H new ATOM 0 HG SER A 90 10.043 17.197 0.162 1.00 0.00 H new ATOM 1406 N VAL A 91 10.023 12.846 -0.955 1.00 0.00 N ATOM 1407 CA VAL A 91 10.227 12.378 -2.321 1.00 0.00 C ATOM 1408 C VAL A 91 8.922 11.842 -2.901 1.00 0.00 C ATOM 1409 O VAL A 91 8.156 11.167 -2.212 1.00 0.00 O ATOM 1410 CB VAL A 91 11.288 11.277 -2.343 1.00 0.00 C ATOM 1411 CG1 VAL A 91 10.712 9.999 -1.730 1.00 0.00 C ATOM 1412 CG2 VAL A 91 11.706 11.003 -3.790 1.00 0.00 C ATOM 0 H VAL A 91 9.178 12.493 -0.506 1.00 0.00 H new ATOM 0 HA VAL A 91 10.565 13.218 -2.928 1.00 0.00 H new ATOM 0 HB VAL A 91 12.156 11.597 -1.766 1.00 0.00 H new ATOM 0 HG11 VAL A 91 11.469 9.215 -1.746 1.00 0.00 H new ATOM 0 HG12 VAL A 91 10.412 10.193 -0.700 1.00 0.00 H new ATOM 0 HG13 VAL A 91 9.844 9.678 -2.306 1.00 0.00 H new ATOM 0 HG21 VAL A 91 12.462 10.218 -3.808 1.00 0.00 H new ATOM 0 HG22 VAL A 91 10.837 10.683 -4.365 1.00 0.00 H new ATOM 0 HG23 VAL A 91 12.116 11.913 -4.229 1.00 0.00 H new ATOM 1422 N VAL A 92 8.673 12.148 -4.170 1.00 0.00 N ATOM 1423 CA VAL A 92 7.456 11.694 -4.831 1.00 0.00 C ATOM 1424 C VAL A 92 7.725 10.437 -5.651 1.00 0.00 C ATOM 1425 O VAL A 92 8.725 10.352 -6.365 1.00 0.00 O ATOM 1426 CB VAL A 92 6.917 12.795 -5.744 1.00 0.00 C ATOM 1427 CG1 VAL A 92 5.576 12.358 -6.338 1.00 0.00 C ATOM 1428 CG2 VAL A 92 6.719 14.078 -4.932 1.00 0.00 C ATOM 0 H VAL A 92 9.294 12.705 -4.758 1.00 0.00 H new ATOM 0 HA VAL A 92 6.716 11.461 -4.065 1.00 0.00 H new ATOM 0 HB VAL A 92 7.628 12.978 -6.549 1.00 0.00 H new ATOM 0 HG11 VAL A 92 5.193 13.144 -6.989 1.00 0.00 H new ATOM 0 HG12 VAL A 92 5.714 11.444 -6.916 1.00 0.00 H new ATOM 0 HG13 VAL A 92 4.864 12.174 -5.533 1.00 0.00 H new ATOM 0 HG21 VAL A 92 6.335 14.864 -5.582 1.00 0.00 H new ATOM 0 HG22 VAL A 92 6.008 13.893 -4.127 1.00 0.00 H new ATOM 0 HG23 VAL A 92 7.673 14.392 -4.509 1.00 0.00 H new ATOM 1438 N VAL A 93 6.826 9.464 -5.547 1.00 0.00 N ATOM 1439 CA VAL A 93 6.984 8.209 -6.274 1.00 0.00 C ATOM 1440 C VAL A 93 5.894 8.064 -7.331 1.00 0.00 C ATOM 1441 O VAL A 93 4.720 8.321 -7.065 1.00 0.00 O ATOM 1442 CB VAL A 93 6.913 7.030 -5.302 1.00 0.00 C ATOM 1443 CG1 VAL A 93 7.298 5.742 -6.032 1.00 0.00 C ATOM 1444 CG2 VAL A 93 7.883 7.268 -4.142 1.00 0.00 C ATOM 0 H VAL A 93 5.986 9.519 -4.971 1.00 0.00 H new ATOM 0 HA VAL A 93 7.956 8.215 -6.767 1.00 0.00 H new ATOM 0 HB VAL A 93 5.898 6.938 -4.915 1.00 0.00 H new ATOM 0 HG11 VAL A 93 7.247 4.902 -5.339 1.00 0.00 H new ATOM 0 HG12 VAL A 93 6.608 5.572 -6.859 1.00 0.00 H new ATOM 0 HG13 VAL A 93 8.313 5.833 -6.419 1.00 0.00 H new ATOM 0 HG21 VAL A 93 7.834 6.429 -3.448 1.00 0.00 H new ATOM 0 HG22 VAL A 93 8.898 7.360 -4.529 1.00 0.00 H new ATOM 0 HG23 VAL A 93 7.609 8.186 -3.621 1.00 0.00 H new ATOM 1454 N TYR A 94 6.290 7.651 -8.530 1.00 0.00 N ATOM 1455 CA TYR A 94 5.335 7.468 -9.616 1.00 0.00 C ATOM 1456 C TYR A 94 4.934 6.002 -9.733 1.00 0.00 C ATOM 1457 O TYR A 94 5.691 5.107 -9.357 1.00 0.00 O ATOM 1458 CB TYR A 94 5.949 7.941 -10.936 1.00 0.00 C ATOM 1459 CG TYR A 94 6.154 9.436 -10.887 1.00 0.00 C ATOM 1460 CD1 TYR A 94 5.049 10.291 -10.809 1.00 0.00 C ATOM 1461 CD2 TYR A 94 7.450 9.966 -10.913 1.00 0.00 C ATOM 1462 CE1 TYR A 94 5.239 11.678 -10.759 1.00 0.00 C ATOM 1463 CE2 TYR A 94 7.639 11.352 -10.864 1.00 0.00 C ATOM 1464 CZ TYR A 94 6.535 12.207 -10.786 1.00 0.00 C ATOM 1465 OH TYR A 94 6.723 13.574 -10.738 1.00 0.00 O ATOM 0 H TYR A 94 7.257 7.438 -8.773 1.00 0.00 H new ATOM 0 HA TYR A 94 4.445 8.059 -9.398 1.00 0.00 H new ATOM 0 HB2 TYR A 94 6.901 7.438 -11.108 1.00 0.00 H new ATOM 0 HB3 TYR A 94 5.295 7.680 -11.768 1.00 0.00 H new ATOM 0 HD1 TYR A 94 4.050 9.882 -10.787 1.00 0.00 H new ATOM 0 HD2 TYR A 94 8.303 9.306 -10.971 1.00 0.00 H new ATOM 0 HE1 TYR A 94 4.387 12.339 -10.700 1.00 0.00 H new ATOM 0 HE2 TYR A 94 8.638 11.761 -10.886 1.00 0.00 H new ATOM 0 HH TYR A 94 7.682 13.773 -10.765 1.00 0.00 H new ATOM 1475 N PRO A 95 3.760 5.746 -10.244 1.00 0.00 N ATOM 1476 CA PRO A 95 3.234 4.359 -10.405 1.00 0.00 C ATOM 1477 C PRO A 95 4.155 3.490 -11.257 1.00 0.00 C ATOM 1478 O PRO A 95 4.879 3.993 -12.117 1.00 0.00 O ATOM 1479 CB PRO A 95 1.876 4.552 -11.090 1.00 0.00 C ATOM 1480 CG PRO A 95 1.490 5.971 -10.831 1.00 0.00 C ATOM 1481 CD PRO A 95 2.789 6.769 -10.732 1.00 0.00 C ATOM 0 HA PRO A 95 3.159 3.841 -9.449 1.00 0.00 H new ATOM 0 HB2 PRO A 95 1.946 4.354 -12.160 1.00 0.00 H new ATOM 0 HB3 PRO A 95 1.133 3.864 -10.686 1.00 0.00 H new ATOM 0 HG2 PRO A 95 0.861 6.354 -11.635 1.00 0.00 H new ATOM 0 HG3 PRO A 95 0.914 6.053 -9.909 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.086 7.183 -11.696 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.699 7.606 -10.040 1.00 0.00 H new ATOM 1489 N CYS A 96 4.123 2.185 -11.010 1.00 0.00 N ATOM 1490 CA CYS A 96 4.950 1.254 -11.767 1.00 0.00 C ATOM 1491 C CYS A 96 6.405 1.712 -11.769 1.00 0.00 C ATOM 1492 O CYS A 96 7.084 1.654 -12.794 1.00 0.00 O ATOM 1493 CB CYS A 96 4.442 1.154 -13.207 1.00 0.00 C ATOM 1494 SG CYS A 96 5.192 -0.283 -14.013 1.00 0.00 S ATOM 0 H CYS A 96 3.538 1.751 -10.297 1.00 0.00 H new ATOM 0 HA CYS A 96 4.889 0.274 -11.293 1.00 0.00 H new ATOM 0 HB2 CYS A 96 3.356 1.063 -13.215 1.00 0.00 H new ATOM 0 HB3 CYS A 96 4.690 2.063 -13.755 1.00 0.00 H new ATOM 0 HG CYS A 96 6.486 -0.210 -13.913 1.00 0.00 H new ATOM 1500 N GLU A 97 6.877 2.168 -10.613 1.00 0.00 N ATOM 1501 CA GLU A 97 8.255 2.628 -10.488 1.00 0.00 C ATOM 1502 C GLU A 97 8.720 2.541 -9.038 1.00 0.00 C ATOM 1503 O GLU A 97 7.907 2.545 -8.114 1.00 0.00 O ATOM 1504 CB GLU A 97 8.369 4.073 -10.977 1.00 0.00 C ATOM 1505 CG GLU A 97 9.836 4.405 -11.254 1.00 0.00 C ATOM 1506 CD GLU A 97 9.966 5.854 -11.709 1.00 0.00 C ATOM 1507 OE1 GLU A 97 8.950 6.527 -11.775 1.00 0.00 O ATOM 1508 OE2 GLU A 97 11.079 6.271 -11.985 1.00 0.00 O ATOM 0 H GLU A 97 6.329 2.229 -9.755 1.00 0.00 H new ATOM 0 HA GLU A 97 8.889 1.986 -11.100 1.00 0.00 H new ATOM 0 HB2 GLU A 97 7.777 4.209 -11.882 1.00 0.00 H new ATOM 0 HB3 GLU A 97 7.966 4.754 -10.227 1.00 0.00 H new ATOM 0 HG2 GLU A 97 10.430 4.243 -10.355 1.00 0.00 H new ATOM 0 HG3 GLU A 97 10.230 3.738 -12.021 1.00 0.00 H new ATOM 1515 N THR A 98 10.033 2.464 -8.846 1.00 0.00 N ATOM 1516 CA THR A 98 10.596 2.382 -7.503 1.00 0.00 C ATOM 1517 C THR A 98 11.789 3.320 -7.364 1.00 0.00 C ATOM 1518 O THR A 98 12.553 3.514 -8.310 1.00 0.00 O ATOM 1519 CB THR A 98 11.036 0.946 -7.208 1.00 0.00 C ATOM 1520 OG1 THR A 98 10.214 0.042 -7.932 1.00 0.00 O ATOM 1521 CG2 THR A 98 10.909 0.667 -5.710 1.00 0.00 C ATOM 0 H THR A 98 10.723 2.457 -9.597 1.00 0.00 H new ATOM 0 HA THR A 98 9.829 2.681 -6.789 1.00 0.00 H new ATOM 0 HB THR A 98 12.075 0.816 -7.511 1.00 0.00 H new ATOM 0 HG1 THR A 98 10.748 -0.729 -8.217 1.00 0.00 H new ATOM 0 HG21 THR A 98 11.223 -0.356 -5.503 1.00 0.00 H new ATOM 0 HG22 THR A 98 11.542 1.360 -5.156 1.00 0.00 H new ATOM 0 HG23 THR A 98 9.872 0.798 -5.402 1.00 0.00 H new ATOM 1529 N GLU A 99 11.944 3.902 -6.179 1.00 0.00 N ATOM 1530 CA GLU A 99 13.040 4.832 -5.934 1.00 0.00 C ATOM 1531 C GLU A 99 13.619 4.624 -4.537 1.00 0.00 C ATOM 1532 O GLU A 99 12.985 4.016 -3.676 1.00 0.00 O ATOM 1533 CB GLU A 99 12.544 6.272 -6.072 1.00 0.00 C ATOM 1534 CG GLU A 99 11.018 6.301 -5.962 1.00 0.00 C ATOM 1535 CD GLU A 99 10.579 5.637 -4.661 1.00 0.00 C ATOM 1536 OE1 GLU A 99 11.294 5.767 -3.681 1.00 0.00 O ATOM 1537 OE2 GLU A 99 9.534 5.007 -4.665 1.00 0.00 O ATOM 0 H GLU A 99 11.330 3.748 -5.379 1.00 0.00 H new ATOM 0 HA GLU A 99 13.821 4.644 -6.671 1.00 0.00 H new ATOM 0 HB2 GLU A 99 12.987 6.896 -5.296 1.00 0.00 H new ATOM 0 HB3 GLU A 99 12.858 6.685 -7.031 1.00 0.00 H new ATOM 0 HG2 GLU A 99 10.662 7.331 -5.993 1.00 0.00 H new ATOM 0 HG3 GLU A 99 10.573 5.784 -6.812 1.00 0.00 H new ATOM 1544 N MET A 100 14.826 5.135 -4.321 1.00 0.00 N ATOM 1545 CA MET A 100 15.472 5.021 -3.019 1.00 0.00 C ATOM 1546 C MET A 100 15.077 6.189 -2.120 1.00 0.00 C ATOM 1547 O MET A 100 14.939 7.320 -2.582 1.00 0.00 O ATOM 1548 CB MET A 100 16.992 5.000 -3.189 1.00 0.00 C ATOM 1549 CG MET A 100 17.381 3.905 -4.184 1.00 0.00 C ATOM 1550 SD MET A 100 16.780 2.306 -3.586 1.00 0.00 S ATOM 1551 CE MET A 100 17.764 2.248 -2.068 1.00 0.00 C ATOM 0 H MET A 100 15.374 5.629 -5.026 1.00 0.00 H new ATOM 0 HA MET A 100 15.145 4.091 -2.554 1.00 0.00 H new ATOM 0 HB2 MET A 100 17.342 5.969 -3.544 1.00 0.00 H new ATOM 0 HB3 MET A 100 17.473 4.820 -2.228 1.00 0.00 H new ATOM 0 HG2 MET A 100 16.956 4.122 -5.164 1.00 0.00 H new ATOM 0 HG3 MET A 100 18.464 3.877 -4.305 1.00 0.00 H new ATOM 0 HE1 MET A 100 17.772 1.230 -1.678 1.00 0.00 H new ATOM 0 HE2 MET A 100 18.785 2.562 -2.284 1.00 0.00 H new ATOM 0 HE3 MET A 100 17.328 2.917 -1.326 1.00 0.00 H new ATOM 1561 N PHE A 101 14.898 5.905 -0.834 1.00 0.00 N ATOM 1562 CA PHE A 101 14.492 6.934 0.115 1.00 0.00 C ATOM 1563 C PHE A 101 15.676 7.372 0.969 1.00 0.00 C ATOM 1564 O PHE A 101 16.531 8.135 0.517 1.00 0.00 O ATOM 1565 CB PHE A 101 13.378 6.402 1.020 1.00 0.00 C ATOM 1566 CG PHE A 101 12.910 7.504 1.940 1.00 0.00 C ATOM 1567 CD1 PHE A 101 12.684 8.789 1.432 1.00 0.00 C ATOM 1568 CD2 PHE A 101 12.663 7.231 3.291 1.00 0.00 C ATOM 1569 CE1 PHE A 101 12.224 9.805 2.280 1.00 0.00 C ATOM 1570 CE2 PHE A 101 12.205 8.248 4.138 1.00 0.00 C ATOM 1571 CZ PHE A 101 11.985 9.535 3.632 1.00 0.00 C ATOM 0 H PHE A 101 15.027 4.978 -0.428 1.00 0.00 H new ATOM 0 HA PHE A 101 14.125 7.793 -0.446 1.00 0.00 H new ATOM 0 HB2 PHE A 101 12.546 6.039 0.416 1.00 0.00 H new ATOM 0 HB3 PHE A 101 13.741 5.556 1.603 1.00 0.00 H new ATOM 0 HD1 PHE A 101 12.864 8.997 0.388 1.00 0.00 H new ATOM 0 HD2 PHE A 101 12.826 6.237 3.680 1.00 0.00 H new ATOM 0 HE1 PHE A 101 12.054 10.798 1.890 1.00 0.00 H new ATOM 0 HE2 PHE A 101 12.021 8.040 5.182 1.00 0.00 H new ATOM 0 HZ PHE A 101 11.631 10.319 4.285 1.00 0.00 H new ATOM 1581 N ILE A 102 15.721 6.886 2.205 1.00 0.00 N ATOM 1582 CA ILE A 102 16.808 7.234 3.114 1.00 0.00 C ATOM 1583 C ILE A 102 17.500 5.975 3.630 1.00 0.00 C ATOM 1584 O ILE A 102 16.902 4.901 3.674 1.00 0.00 O ATOM 1585 CB ILE A 102 16.262 8.039 4.294 1.00 0.00 C ATOM 1586 CG1 ILE A 102 15.357 7.145 5.144 1.00 0.00 C ATOM 1587 CG2 ILE A 102 15.456 9.229 3.772 1.00 0.00 C ATOM 1588 CD1 ILE A 102 16.209 6.351 6.137 1.00 0.00 C ATOM 0 H ILE A 102 15.023 6.255 2.599 1.00 0.00 H new ATOM 0 HA ILE A 102 17.535 7.836 2.569 1.00 0.00 H new ATOM 0 HB ILE A 102 17.092 8.401 4.901 1.00 0.00 H new ATOM 0 HG12 ILE A 102 14.627 7.753 5.679 1.00 0.00 H new ATOM 0 HG13 ILE A 102 14.796 6.464 4.504 1.00 0.00 H new ATOM 0 HG21 ILE A 102 15.067 9.802 4.614 1.00 0.00 H new ATOM 0 HG22 ILE A 102 16.099 9.866 3.165 1.00 0.00 H new ATOM 0 HG23 ILE A 102 14.626 8.868 3.165 1.00 0.00 H new ATOM 0 HD11 ILE A 102 15.564 5.714 6.742 1.00 0.00 H new ATOM 0 HD12 ILE A 102 16.921 5.732 5.592 1.00 0.00 H new ATOM 0 HD13 ILE A 102 16.750 7.041 6.785 1.00 0.00 H new ATOM 1600 N GLU A 103 18.763 6.117 4.017 1.00 0.00 N ATOM 1601 CA GLU A 103 19.528 4.984 4.526 1.00 0.00 C ATOM 1602 C GLU A 103 20.240 5.357 5.822 1.00 0.00 C ATOM 1603 O GLU A 103 20.498 6.532 6.085 1.00 0.00 O ATOM 1604 CB GLU A 103 20.557 4.539 3.485 1.00 0.00 C ATOM 1605 CG GLU A 103 21.407 3.405 4.060 1.00 0.00 C ATOM 1606 CD GLU A 103 22.322 2.840 2.979 1.00 0.00 C ATOM 1607 OE1 GLU A 103 22.257 3.327 1.862 1.00 0.00 O ATOM 1608 OE2 GLU A 103 23.073 1.929 3.284 1.00 0.00 O ATOM 0 H GLU A 103 19.276 6.998 3.989 1.00 0.00 H new ATOM 0 HA GLU A 103 18.838 4.165 4.727 1.00 0.00 H new ATOM 0 HB2 GLU A 103 20.052 4.205 2.578 1.00 0.00 H new ATOM 0 HB3 GLU A 103 21.193 5.379 3.205 1.00 0.00 H new ATOM 0 HG2 GLU A 103 22.002 3.773 4.896 1.00 0.00 H new ATOM 0 HG3 GLU A 103 20.762 2.618 4.450 1.00 0.00 H new ATOM 1615 N GLY A 104 20.555 4.349 6.630 1.00 0.00 N ATOM 1616 CA GLY A 104 21.246 4.580 7.893 1.00 0.00 C ATOM 1617 C GLY A 104 20.413 4.082 9.069 1.00 0.00 C ATOM 1618 O GLY A 104 19.512 3.260 8.900 1.00 0.00 O ATOM 0 H GLY A 104 20.344 3.370 6.434 1.00 0.00 H new ATOM 0 HA2 GLY A 104 22.210 4.070 7.883 1.00 0.00 H new ATOM 0 HA3 GLY A 104 21.449 5.644 8.011 1.00 0.00 H new ATOM 1622 N ARG A 105 20.719 4.586 10.261 1.00 0.00 N ATOM 1623 CA ARG A 105 19.993 4.182 11.460 1.00 0.00 C ATOM 1624 C ARG A 105 18.845 5.147 11.739 1.00 0.00 C ATOM 1625 O ARG A 105 18.987 6.358 11.576 1.00 0.00 O ATOM 1626 CB ARG A 105 20.942 4.152 12.659 1.00 0.00 C ATOM 1627 CG ARG A 105 20.221 3.546 13.866 1.00 0.00 C ATOM 1628 CD ARG A 105 21.145 3.584 15.084 1.00 0.00 C ATOM 1629 NE ARG A 105 22.351 2.804 14.829 1.00 0.00 N ATOM 1630 CZ ARG A 105 22.310 1.477 14.773 1.00 0.00 C ATOM 1631 NH1 ARG A 105 21.179 0.850 14.948 1.00 0.00 N ATOM 1632 NH2 ARG A 105 23.402 0.800 14.544 1.00 0.00 N ATOM 0 H ARG A 105 21.459 5.270 10.422 1.00 0.00 H new ATOM 0 HA ARG A 105 19.583 3.185 11.298 1.00 0.00 H new ATOM 0 HB2 ARG A 105 21.829 3.565 12.420 1.00 0.00 H new ATOM 0 HB3 ARG A 105 21.281 5.161 12.893 1.00 0.00 H new ATOM 0 HG2 ARG A 105 19.306 4.101 14.073 1.00 0.00 H new ATOM 0 HG3 ARG A 105 19.928 2.518 13.650 1.00 0.00 H new ATOM 0 HD2 ARG A 105 21.413 4.615 15.314 1.00 0.00 H new ATOM 0 HD3 ARG A 105 20.625 3.188 15.956 1.00 0.00 H new ATOM 0 HE ARG A 105 23.240 3.285 14.691 1.00 0.00 H new ATOM 0 HH11 ARG A 105 20.325 1.379 15.128 1.00 0.00 H new ATOM 0 HH12 ARG A 105 21.149 -0.169 14.905 1.00 0.00 H new ATOM 0 HH21 ARG A 105 24.286 1.290 14.408 1.00 0.00 H new ATOM 0 HH22 ARG A 105 23.371 -0.219 14.501 1.00 0.00 H new ATOM 1646 N VAL A 106 17.706 4.601 12.156 1.00 0.00 N ATOM 1647 CA VAL A 106 16.540 5.427 12.450 1.00 0.00 C ATOM 1648 C VAL A 106 16.086 5.229 13.892 1.00 0.00 C ATOM 1649 O VAL A 106 16.013 4.103 14.383 1.00 0.00 O ATOM 1650 CB VAL A 106 15.396 5.068 11.500 1.00 0.00 C ATOM 1651 CG1 VAL A 106 14.343 6.177 11.527 1.00 0.00 C ATOM 1652 CG2 VAL A 106 15.942 4.919 10.079 1.00 0.00 C ATOM 0 H VAL A 106 17.566 3.600 12.297 1.00 0.00 H new ATOM 0 HA VAL A 106 16.817 6.472 12.312 1.00 0.00 H new ATOM 0 HB VAL A 106 14.942 4.129 11.816 1.00 0.00 H new ATOM 0 HG11 VAL A 106 13.528 5.921 10.850 1.00 0.00 H new ATOM 0 HG12 VAL A 106 13.954 6.285 12.539 1.00 0.00 H new ATOM 0 HG13 VAL A 106 14.796 7.117 11.211 1.00 0.00 H new ATOM 0 HG21 VAL A 106 15.128 4.663 9.401 1.00 0.00 H new ATOM 0 HG22 VAL A 106 16.395 5.859 9.763 1.00 0.00 H new ATOM 0 HG23 VAL A 106 16.693 4.129 10.059 1.00 0.00 H new ATOM 1662 N ASN A 107 15.780 6.334 14.564 1.00 0.00 N ATOM 1663 CA ASN A 107 15.334 6.278 15.952 1.00 0.00 C ATOM 1664 C ASN A 107 14.360 7.416 16.242 1.00 0.00 C ATOM 1665 O ASN A 107 14.725 8.590 16.174 1.00 0.00 O ATOM 1666 CB ASN A 107 16.537 6.379 16.894 1.00 0.00 C ATOM 1667 CG ASN A 107 17.647 7.191 16.236 1.00 0.00 C ATOM 1668 OD1 ASN A 107 18.058 6.890 15.116 1.00 0.00 O ATOM 1669 ND2 ASN A 107 18.161 8.209 16.871 1.00 0.00 N ATOM 0 H ASN A 107 15.832 7.275 14.173 1.00 0.00 H new ATOM 0 HA ASN A 107 14.827 5.327 16.115 1.00 0.00 H new ATOM 0 HB2 ASN A 107 16.238 6.849 17.831 1.00 0.00 H new ATOM 0 HB3 ASN A 107 16.902 5.382 17.140 1.00 0.00 H new ATOM 0 HD21 ASN A 107 18.905 8.757 16.439 1.00 0.00 H new ATOM 0 HD22 ASN A 107 17.819 8.457 17.799 1.00 0.00 H new ATOM 1676 N GLY A 108 13.120 7.061 16.561 1.00 0.00 N ATOM 1677 CA GLY A 108 12.104 8.065 16.855 1.00 0.00 C ATOM 1678 C GLY A 108 11.930 9.015 15.676 1.00 0.00 C ATOM 1679 O GLY A 108 12.717 9.945 15.495 1.00 0.00 O ATOM 0 H GLY A 108 12.796 6.096 16.622 1.00 0.00 H new ATOM 0 HA2 GLY A 108 11.156 7.576 17.078 1.00 0.00 H new ATOM 0 HA3 GLY A 108 12.388 8.628 17.744 1.00 0.00 H new ATOM 1683 N PHE A 109 10.898 8.776 14.873 1.00 0.00 N ATOM 1684 CA PHE A 109 10.644 9.614 13.708 1.00 0.00 C ATOM 1685 C PHE A 109 9.156 9.646 13.379 1.00 0.00 C ATOM 1686 O PHE A 109 8.417 8.715 13.701 1.00 0.00 O ATOM 1687 CB PHE A 109 11.421 9.077 12.505 1.00 0.00 C ATOM 1688 CG PHE A 109 11.046 7.633 12.271 1.00 0.00 C ATOM 1689 CD1 PHE A 109 11.590 6.629 13.080 1.00 0.00 C ATOM 1690 CD2 PHE A 109 10.143 7.300 11.254 1.00 0.00 C ATOM 1691 CE1 PHE A 109 11.234 5.291 12.870 1.00 0.00 C ATOM 1692 CE2 PHE A 109 9.786 5.962 11.044 1.00 0.00 C ATOM 1693 CZ PHE A 109 10.332 4.958 11.853 1.00 0.00 C ATOM 0 H PHE A 109 10.230 8.016 15.006 1.00 0.00 H new ATOM 0 HA PHE A 109 10.973 10.628 13.935 1.00 0.00 H new ATOM 0 HB2 PHE A 109 11.197 9.671 11.619 1.00 0.00 H new ATOM 0 HB3 PHE A 109 12.493 9.162 12.683 1.00 0.00 H new ATOM 0 HD1 PHE A 109 12.284 6.886 13.866 1.00 0.00 H new ATOM 0 HD2 PHE A 109 9.722 8.075 10.631 1.00 0.00 H new ATOM 0 HE1 PHE A 109 11.656 4.516 13.493 1.00 0.00 H new ATOM 0 HE2 PHE A 109 9.090 5.705 10.259 1.00 0.00 H new ATOM 0 HZ PHE A 109 10.057 3.926 11.692 1.00 0.00 H new ATOM 1703 N LYS A 110 8.723 10.723 12.731 1.00 0.00 N ATOM 1704 CA LYS A 110 7.324 10.861 12.341 1.00 0.00 C ATOM 1705 C LYS A 110 7.168 10.636 10.840 1.00 0.00 C ATOM 1706 O LYS A 110 7.917 11.193 10.038 1.00 0.00 O ATOM 1707 CB LYS A 110 6.814 12.256 12.709 1.00 0.00 C ATOM 1708 CG LYS A 110 6.936 12.462 14.220 1.00 0.00 C ATOM 1709 CD LYS A 110 6.164 13.719 14.629 1.00 0.00 C ATOM 1710 CE LYS A 110 6.715 14.927 13.868 1.00 0.00 C ATOM 1711 NZ LYS A 110 8.200 14.833 13.795 1.00 0.00 N ATOM 0 H LYS A 110 9.317 11.509 12.466 1.00 0.00 H new ATOM 0 HA LYS A 110 6.738 10.112 12.874 1.00 0.00 H new ATOM 0 HB2 LYS A 110 7.389 13.016 12.180 1.00 0.00 H new ATOM 0 HB3 LYS A 110 5.775 12.369 12.399 1.00 0.00 H new ATOM 0 HG2 LYS A 110 6.544 11.593 14.749 1.00 0.00 H new ATOM 0 HG3 LYS A 110 7.985 12.559 14.501 1.00 0.00 H new ATOM 0 HD2 LYS A 110 5.103 13.593 14.413 1.00 0.00 H new ATOM 0 HD3 LYS A 110 6.254 13.881 15.703 1.00 0.00 H new ATOM 0 HE2 LYS A 110 6.292 14.961 12.864 1.00 0.00 H new ATOM 0 HE3 LYS A 110 6.423 15.850 14.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 8.600 15.779 13.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 8.568 14.453 14.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 8.470 14.202 13.014 1.00 0.00 H new ATOM 1725 N SER A 111 6.192 9.815 10.469 1.00 0.00 N ATOM 1726 CA SER A 111 5.958 9.506 9.063 1.00 0.00 C ATOM 1727 C SER A 111 4.579 9.985 8.622 1.00 0.00 C ATOM 1728 O SER A 111 3.579 9.747 9.301 1.00 0.00 O ATOM 1729 CB SER A 111 6.074 8.000 8.836 1.00 0.00 C ATOM 1730 OG SER A 111 7.276 7.527 9.428 1.00 0.00 O ATOM 0 H SER A 111 5.554 9.354 11.117 1.00 0.00 H new ATOM 0 HA SER A 111 6.711 10.025 8.470 1.00 0.00 H new ATOM 0 HB2 SER A 111 5.215 7.488 9.270 1.00 0.00 H new ATOM 0 HB3 SER A 111 6.070 7.780 7.768 1.00 0.00 H new ATOM 0 HG SER A 111 7.353 6.560 9.286 1.00 0.00 H new ATOM 1736 N LYS A 112 4.534 10.659 7.476 1.00 0.00 N ATOM 1737 CA LYS A 112 3.271 11.143 6.929 1.00 0.00 C ATOM 1738 C LYS A 112 3.214 10.884 5.427 1.00 0.00 C ATOM 1739 O LYS A 112 4.049 11.381 4.671 1.00 0.00 O ATOM 1740 CB LYS A 112 3.123 12.642 7.197 1.00 0.00 C ATOM 1741 CG LYS A 112 1.739 13.107 6.739 1.00 0.00 C ATOM 1742 CD LYS A 112 1.445 14.491 7.322 1.00 0.00 C ATOM 1743 CE LYS A 112 2.507 15.482 6.843 1.00 0.00 C ATOM 1744 NZ LYS A 112 2.000 16.873 7.012 1.00 0.00 N ATOM 0 H LYS A 112 5.353 10.881 6.911 1.00 0.00 H new ATOM 0 HA LYS A 112 2.454 10.609 7.414 1.00 0.00 H new ATOM 0 HB2 LYS A 112 3.254 12.847 8.259 1.00 0.00 H new ATOM 0 HB3 LYS A 112 3.898 13.195 6.667 1.00 0.00 H new ATOM 0 HG2 LYS A 112 1.698 13.143 5.650 1.00 0.00 H new ATOM 0 HG3 LYS A 112 0.979 12.396 7.063 1.00 0.00 H new ATOM 0 HD2 LYS A 112 0.455 14.825 7.012 1.00 0.00 H new ATOM 0 HD3 LYS A 112 1.440 14.445 8.411 1.00 0.00 H new ATOM 0 HE2 LYS A 112 3.428 15.348 7.411 1.00 0.00 H new ATOM 0 HE3 LYS A 112 2.748 15.296 5.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 2.722 17.547 6.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 1.133 16.997 6.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 1.791 17.047 8.016 1.00 0.00 H new ATOM 1758 N MET A 113 2.229 10.100 5.000 1.00 0.00 N ATOM 1759 CA MET A 113 2.090 9.771 3.585 1.00 0.00 C ATOM 1760 C MET A 113 0.704 10.145 3.070 1.00 0.00 C ATOM 1761 O MET A 113 -0.223 10.364 3.850 1.00 0.00 O ATOM 1762 CB MET A 113 2.323 8.274 3.375 1.00 0.00 C ATOM 1763 CG MET A 113 3.776 7.931 3.705 1.00 0.00 C ATOM 1764 SD MET A 113 4.084 6.187 3.333 1.00 0.00 S ATOM 1765 CE MET A 113 3.348 5.503 4.838 1.00 0.00 C ATOM 0 H MET A 113 1.522 9.684 5.606 1.00 0.00 H new ATOM 0 HA MET A 113 2.833 10.342 3.029 1.00 0.00 H new ATOM 0 HB2 MET A 113 1.649 7.698 4.010 1.00 0.00 H new ATOM 0 HB3 MET A 113 2.100 8.002 2.343 1.00 0.00 H new ATOM 0 HG2 MET A 113 4.450 8.562 3.126 1.00 0.00 H new ATOM 0 HG3 MET A 113 3.978 8.131 4.757 1.00 0.00 H new ATOM 0 HE1 MET A 113 3.779 4.523 5.041 1.00 0.00 H new ATOM 0 HE2 MET A 113 3.550 6.169 5.677 1.00 0.00 H new ATOM 0 HE3 MET A 113 2.271 5.405 4.704 1.00 0.00 H new ATOM 1775 N ASP A 114 0.574 10.213 1.749 1.00 0.00 N ATOM 1776 CA ASP A 114 -0.699 10.560 1.127 1.00 0.00 C ATOM 1777 C ASP A 114 -0.744 10.048 -0.309 1.00 0.00 C ATOM 1778 O ASP A 114 0.264 9.584 -0.843 1.00 0.00 O ATOM 1779 CB ASP A 114 -0.892 12.077 1.140 1.00 0.00 C ATOM 1780 CG ASP A 114 -2.358 12.418 0.900 1.00 0.00 C ATOM 1781 OD1 ASP A 114 -3.140 11.498 0.725 1.00 0.00 O ATOM 1782 OD2 ASP A 114 -2.679 13.596 0.893 1.00 0.00 O ATOM 0 H ASP A 114 1.332 10.033 1.090 1.00 0.00 H new ATOM 0 HA ASP A 114 -1.503 10.091 1.695 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -0.567 12.485 2.097 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -0.272 12.537 0.370 1.00 0.00 H new ATOM 1787 N ALA A 115 -1.916 10.133 -0.931 1.00 0.00 N ATOM 1788 CA ALA A 115 -2.071 9.680 -2.309 1.00 0.00 C ATOM 1789 C ALA A 115 -2.688 10.776 -3.171 1.00 0.00 C ATOM 1790 O ALA A 115 -3.908 10.847 -3.324 1.00 0.00 O ATOM 1791 CB ALA A 115 -2.957 8.434 -2.354 1.00 0.00 C ATOM 0 H ALA A 115 -2.765 10.508 -0.508 1.00 0.00 H new ATOM 0 HA ALA A 115 -1.084 9.438 -2.703 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -3.067 8.103 -3.387 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -2.498 7.640 -1.765 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -3.938 8.670 -1.942 1.00 0.00 H new ATOM 1797 N LEU A 116 -1.837 11.626 -3.736 1.00 0.00 N ATOM 1798 CA LEU A 116 -2.309 12.722 -4.574 1.00 0.00 C ATOM 1799 C LEU A 116 -2.502 12.250 -6.012 1.00 0.00 C ATOM 1800 O LEU A 116 -2.012 11.191 -6.401 1.00 0.00 O ATOM 1801 CB LEU A 116 -1.303 13.874 -4.540 1.00 0.00 C ATOM 1802 CG LEU A 116 -0.844 14.106 -3.099 1.00 0.00 C ATOM 1803 CD1 LEU A 116 0.216 15.210 -3.070 1.00 0.00 C ATOM 1804 CD2 LEU A 116 -2.042 14.528 -2.245 1.00 0.00 C ATOM 0 H LEU A 116 -0.824 11.578 -3.630 1.00 0.00 H new ATOM 0 HA LEU A 116 -3.267 13.067 -4.187 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -0.447 13.642 -5.173 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -1.758 14.781 -4.939 1.00 0.00 H new ATOM 0 HG LEU A 116 -0.419 13.185 -2.701 1.00 0.00 H new ATOM 0 HD11 LEU A 116 0.542 15.374 -2.043 1.00 0.00 H new ATOM 0 HD12 LEU A 116 1.070 14.911 -3.678 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -0.208 16.132 -3.468 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -1.716 14.694 -1.218 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -2.467 15.449 -2.644 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -2.797 13.742 -2.264 1.00 0.00 H new ATOM 1816 N PRO A 117 -3.207 13.018 -6.798 1.00 0.00 N ATOM 1817 CA PRO A 117 -3.471 12.685 -8.229 1.00 0.00 C ATOM 1818 C PRO A 117 -2.250 12.935 -9.111 1.00 0.00 C ATOM 1819 O PRO A 117 -1.413 13.783 -8.804 1.00 0.00 O ATOM 1820 CB PRO A 117 -4.623 13.616 -8.617 1.00 0.00 C ATOM 1821 CG PRO A 117 -5.056 14.271 -7.348 1.00 0.00 C ATOM 1822 CD PRO A 117 -3.833 14.301 -6.433 1.00 0.00 C ATOM 0 HA PRO A 117 -3.709 11.630 -8.364 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -4.299 14.356 -9.349 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -5.443 13.058 -9.069 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -5.422 15.280 -7.538 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -5.873 13.717 -6.885 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -3.184 15.153 -6.634 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -4.103 14.347 -5.378 1.00 0.00 H new ATOM 1830 N LEU A 118 -2.158 12.193 -10.211 1.00 0.00 N ATOM 1831 CA LEU A 118 -1.037 12.347 -11.130 1.00 0.00 C ATOM 1832 C LEU A 118 -1.250 13.559 -12.031 1.00 0.00 C ATOM 1833 O LEU A 118 -2.135 13.561 -12.887 1.00 0.00 O ATOM 1834 CB LEU A 118 -0.888 11.091 -11.992 1.00 0.00 C ATOM 1835 CG LEU A 118 -0.694 9.871 -11.090 1.00 0.00 C ATOM 1836 CD1 LEU A 118 -1.121 8.610 -11.842 1.00 0.00 C ATOM 1837 CD2 LEU A 118 0.781 9.754 -10.700 1.00 0.00 C ATOM 0 H LEU A 118 -2.840 11.486 -10.485 1.00 0.00 H new ATOM 0 HA LEU A 118 -0.129 12.494 -10.544 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -1.772 10.958 -12.615 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -0.037 11.198 -12.665 1.00 0.00 H new ATOM 0 HG LEU A 118 -1.300 9.984 -10.191 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -0.983 7.740 -11.200 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -2.171 8.692 -12.122 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -0.513 8.499 -12.740 1.00 0.00 H new ATOM 0 HD21 LEU A 118 0.920 8.885 -10.057 1.00 0.00 H new ATOM 0 HD22 LEU A 118 1.387 9.641 -11.599 1.00 0.00 H new ATOM 0 HD23 LEU A 118 1.088 10.653 -10.166 1.00 0.00 H new ATOM 1849 N SER A 119 -0.435 14.588 -11.831 1.00 0.00 N ATOM 1850 CA SER A 119 -0.548 15.805 -12.626 1.00 0.00 C ATOM 1851 C SER A 119 0.127 15.625 -13.981 1.00 0.00 C ATOM 1852 O SER A 119 0.428 14.504 -14.392 1.00 0.00 O ATOM 1853 CB SER A 119 0.098 16.974 -11.883 1.00 0.00 C ATOM 1854 OG SER A 119 -0.484 18.193 -12.329 1.00 0.00 O ATOM 0 H SER A 119 0.306 14.605 -11.130 1.00 0.00 H new ATOM 0 HA SER A 119 -1.605 16.016 -12.786 1.00 0.00 H new ATOM 0 HB2 SER A 119 -0.045 16.861 -10.808 1.00 0.00 H new ATOM 0 HB3 SER A 119 1.173 16.984 -12.062 1.00 0.00 H new ATOM 0 HG SER A 119 -0.073 18.945 -11.853 1.00 0.00 H new ATOM 1860 N GLU A 120 0.363 16.736 -14.672 1.00 0.00 N ATOM 1861 CA GLU A 120 1.002 16.688 -15.982 1.00 0.00 C ATOM 1862 C GLU A 120 2.443 16.205 -15.855 1.00 0.00 C ATOM 1863 O GLU A 120 2.979 15.573 -16.766 1.00 0.00 O ATOM 1864 CB GLU A 120 0.979 18.074 -16.626 1.00 0.00 C ATOM 1865 CG GLU A 120 1.903 19.014 -15.849 1.00 0.00 C ATOM 1866 CD GLU A 120 1.700 20.450 -16.321 1.00 0.00 C ATOM 1867 OE1 GLU A 120 0.967 20.641 -17.277 1.00 0.00 O ATOM 1868 OE2 GLU A 120 2.279 21.339 -15.717 1.00 0.00 O ATOM 0 H GLU A 120 0.123 17.674 -14.350 1.00 0.00 H new ATOM 0 HA GLU A 120 0.450 15.989 -16.611 1.00 0.00 H new ATOM 0 HB2 GLU A 120 1.300 18.009 -17.666 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -0.037 18.468 -16.630 1.00 0.00 H new ATOM 0 HG2 GLU A 120 1.696 18.940 -14.781 1.00 0.00 H new ATOM 0 HG3 GLU A 120 2.942 18.718 -15.994 1.00 0.00 H new ATOM 1875 N GLU A 121 3.064 16.506 -14.719 1.00 0.00 N ATOM 1876 CA GLU A 121 4.444 16.099 -14.484 1.00 0.00 C ATOM 1877 C GLU A 121 4.596 14.592 -14.666 1.00 0.00 C ATOM 1878 O GLU A 121 5.603 14.120 -15.195 1.00 0.00 O ATOM 1879 CB GLU A 121 4.871 16.491 -13.068 1.00 0.00 C ATOM 1880 CG GLU A 121 4.114 15.636 -12.051 1.00 0.00 C ATOM 1881 CD GLU A 121 4.321 16.193 -10.645 1.00 0.00 C ATOM 1882 OE1 GLU A 121 5.083 17.135 -10.510 1.00 0.00 O ATOM 1883 OE2 GLU A 121 3.713 15.668 -9.727 1.00 0.00 O ATOM 0 H GLU A 121 2.637 17.026 -13.952 1.00 0.00 H new ATOM 0 HA GLU A 121 5.081 16.607 -15.208 1.00 0.00 H new ATOM 0 HB2 GLU A 121 5.945 16.351 -12.949 1.00 0.00 H new ATOM 0 HB3 GLU A 121 4.666 17.547 -12.895 1.00 0.00 H new ATOM 0 HG2 GLU A 121 3.051 15.623 -12.293 1.00 0.00 H new ATOM 0 HG3 GLU A 121 4.464 14.605 -12.098 1.00 0.00 H new ATOM 1890 N TYR A 122 3.590 13.844 -14.224 1.00 0.00 N ATOM 1891 CA TYR A 122 3.622 12.392 -14.351 1.00 0.00 C ATOM 1892 C TYR A 122 3.591 11.985 -15.822 1.00 0.00 C ATOM 1893 O TYR A 122 4.334 11.101 -16.246 1.00 0.00 O ATOM 1894 CB TYR A 122 2.426 11.776 -13.625 1.00 0.00 C ATOM 1895 CG TYR A 122 2.254 10.342 -14.065 1.00 0.00 C ATOM 1896 CD1 TYR A 122 3.218 9.385 -13.725 1.00 0.00 C ATOM 1897 CD2 TYR A 122 1.139 9.972 -14.827 1.00 0.00 C ATOM 1898 CE1 TYR A 122 3.067 8.059 -14.147 1.00 0.00 C ATOM 1899 CE2 TYR A 122 0.986 8.645 -15.246 1.00 0.00 C ATOM 1900 CZ TYR A 122 1.951 7.688 -14.905 1.00 0.00 C ATOM 1901 OH TYR A 122 1.799 6.381 -15.318 1.00 0.00 O ATOM 0 H TYR A 122 2.750 14.215 -13.779 1.00 0.00 H new ATOM 0 HA TYR A 122 4.545 12.027 -13.901 1.00 0.00 H new ATOM 0 HB2 TYR A 122 2.579 11.821 -12.547 1.00 0.00 H new ATOM 0 HB3 TYR A 122 1.522 12.345 -13.843 1.00 0.00 H new ATOM 0 HD1 TYR A 122 4.078 9.670 -13.137 1.00 0.00 H new ATOM 0 HD2 TYR A 122 0.397 10.711 -15.092 1.00 0.00 H new ATOM 0 HE1 TYR A 122 3.812 7.322 -13.887 1.00 0.00 H new ATOM 0 HE2 TYR A 122 0.125 8.359 -15.832 1.00 0.00 H new ATOM 0 HH TYR A 122 0.970 6.295 -15.833 1.00 0.00 H new