USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 847 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 Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl -146:sc= -0.0557 (180deg=-1.81!) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 58:sc= 0.994 USER MOD Single : A 29 CYS SG : rot -14:sc= 0.206 USER MOD Single : A 33 HIS : no HD1:sc= -5.57! K(o=-5.6!,f=-2.9) USER MOD Single : A 38 THR OG1 : rot 25:sc= -0.102 USER MOD Single : A 40 SER OG : rot 14:sc= 0.985 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -0.13 X(o=-0.13,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 ASN : amide:sc= -0.0061 X(o=-0.0061,f=0) USER MOD Single : A 68 SER OG : rot -71:sc= -8.64! USER MOD Single : A 69 TYR OH : rot 30:sc= -2.94! USER MOD Single : A 79 ASN : amide:sc= -5.13! C(o=-5.1!,f=-4.2!) USER MOD Single : A 86 THR OG1 : rot -150:sc= -3.99! USER MOD Single : A 88 TYR OH : rot 139:sc= -1.16 USER MOD Single : A 90 SER OG : rot -120:sc= -4.65! USER MOD Single : A 91 LYS NZ :NH3+ -118:sc= -0.0797 (180deg=-1.54!) USER MOD Single : A 95 THR OG1 : rot 119:sc= -2.51! USER MOD Single : A 97 TYR OH : rot 59:sc= 0.424 USER MOD Single : A 98 SER OG : rot 180:sc= -0.153 USER MOD Single : A 99 ASN : amide:sc= -0.695 K(o=-0.69,f=0) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ -175:sc= 0.828 (180deg=0.722) USER MOD Single : A 110 SER OG : rot 166:sc= 0.849 USER MOD ----------------------------------------------------------------- ATOM 108 N ARG A 8 2.346 14.815 4.612 1.00 0.00 N ATOM 109 CA ARG A 8 2.690 13.752 3.637 1.00 0.00 C ATOM 110 C ARG A 8 2.443 12.393 4.281 1.00 0.00 C ATOM 111 O ARG A 8 3.085 12.023 5.244 1.00 0.00 O ATOM 112 CB ARG A 8 4.175 13.953 3.330 1.00 0.00 C ATOM 113 CG ARG A 8 4.414 15.397 2.883 1.00 0.00 C ATOM 114 CD ARG A 8 5.661 15.457 1.998 1.00 0.00 C ATOM 115 NE ARG A 8 6.195 16.834 2.181 1.00 0.00 N ATOM 116 CZ ARG A 8 5.738 17.814 1.452 1.00 0.00 C ATOM 117 NH1 ARG A 8 4.656 17.650 0.739 1.00 0.00 N ATOM 118 NH2 ARG A 8 6.361 18.960 1.436 1.00 0.00 N ATOM 0 HA ARG A 8 2.093 13.797 2.726 1.00 0.00 H new ATOM 0 HB2 ARG A 8 4.773 13.731 4.214 1.00 0.00 H new ATOM 0 HB3 ARG A 8 4.492 13.262 2.549 1.00 0.00 H new ATOM 0 HG2 ARG A 8 3.548 15.767 2.335 1.00 0.00 H new ATOM 0 HG3 ARG A 8 4.541 16.042 3.753 1.00 0.00 H new ATOM 0 HD2 ARG A 8 6.393 14.707 2.296 1.00 0.00 H new ATOM 0 HD3 ARG A 8 5.414 15.265 0.954 1.00 0.00 H new ATOM 0 HE ARG A 8 6.919 17.011 2.877 1.00 0.00 H new ATOM 0 HH11 ARG A 8 4.167 16.755 0.752 1.00 0.00 H new ATOM 0 HH12 ARG A 8 4.300 18.417 0.169 1.00 0.00 H new ATOM 0 HH21 ARG A 8 7.205 19.089 1.994 1.00 0.00 H new ATOM 0 HH22 ARG A 8 6.004 19.727 0.866 1.00 0.00 H new ATOM 132 N LEU A 9 1.513 11.650 3.764 1.00 0.00 N ATOM 133 CA LEU A 9 1.216 10.326 4.347 1.00 0.00 C ATOM 134 C LEU A 9 2.219 9.312 3.814 1.00 0.00 C ATOM 135 O LEU A 9 2.987 9.606 2.919 1.00 0.00 O ATOM 136 CB LEU A 9 -0.204 9.993 3.891 1.00 0.00 C ATOM 137 CG LEU A 9 -1.200 10.433 4.965 1.00 0.00 C ATOM 138 CD1 LEU A 9 -1.071 9.517 6.181 1.00 0.00 C ATOM 139 CD2 LEU A 9 -0.899 11.873 5.380 1.00 0.00 C ATOM 0 H LEU A 9 0.944 11.907 2.958 1.00 0.00 H new ATOM 0 HA LEU A 9 1.288 10.313 5.435 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.422 10.496 2.949 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.298 8.922 3.710 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.213 10.373 4.568 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.780 9.829 6.948 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.283 8.489 5.887 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.057 9.579 6.577 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.609 12.187 6.145 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.114 11.933 5.778 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.987 12.528 4.513 1.00 0.00 H new ATOM 151 N ARG A 10 2.242 8.129 4.352 1.00 0.00 N ATOM 152 CA ARG A 10 3.227 7.140 3.852 1.00 0.00 C ATOM 153 C ARG A 10 2.523 6.006 3.102 1.00 0.00 C ATOM 154 O ARG A 10 1.601 5.390 3.602 1.00 0.00 O ATOM 155 CB ARG A 10 3.932 6.608 5.100 1.00 0.00 C ATOM 156 CG ARG A 10 4.847 7.693 5.672 1.00 0.00 C ATOM 157 CD ARG A 10 4.007 8.745 6.401 1.00 0.00 C ATOM 158 NE ARG A 10 4.515 8.738 7.802 1.00 0.00 N ATOM 159 CZ ARG A 10 5.289 9.703 8.217 1.00 0.00 C ATOM 160 NH1 ARG A 10 6.032 10.350 7.364 1.00 0.00 N ATOM 161 NH2 ARG A 10 5.321 10.020 9.483 1.00 0.00 N ATOM 0 H ARG A 10 1.632 7.808 5.104 1.00 0.00 H new ATOM 0 HA ARG A 10 3.930 7.587 3.149 1.00 0.00 H new ATOM 0 HB2 ARG A 10 3.196 6.308 5.846 1.00 0.00 H new ATOM 0 HB3 ARG A 10 4.514 5.721 4.851 1.00 0.00 H new ATOM 0 HG2 ARG A 10 5.568 7.249 6.359 1.00 0.00 H new ATOM 0 HG3 ARG A 10 5.417 8.161 4.870 1.00 0.00 H new ATOM 0 HD2 ARG A 10 4.122 9.728 5.944 1.00 0.00 H new ATOM 0 HD3 ARG A 10 2.946 8.498 6.364 1.00 0.00 H new ATOM 0 HE ARG A 10 4.258 7.981 8.435 1.00 0.00 H new ATOM 0 HH11 ARG A 10 6.007 10.102 6.375 1.00 0.00 H new ATOM 0 HH12 ARG A 10 6.638 11.105 7.685 1.00 0.00 H new ATOM 0 HH21 ARG A 10 4.740 9.513 10.151 1.00 0.00 H new ATOM 0 HH22 ARG A 10 5.927 10.775 9.805 1.00 0.00 H new ATOM 175 N VAL A 11 2.954 5.729 1.903 1.00 0.00 N ATOM 176 CA VAL A 11 2.317 4.642 1.111 1.00 0.00 C ATOM 177 C VAL A 11 3.372 3.637 0.638 1.00 0.00 C ATOM 178 O VAL A 11 3.969 3.795 -0.409 1.00 0.00 O ATOM 179 CB VAL A 11 1.685 5.357 -0.083 1.00 0.00 C ATOM 180 CG1 VAL A 11 0.989 4.338 -0.986 1.00 0.00 C ATOM 181 CG2 VAL A 11 0.660 6.374 0.420 1.00 0.00 C ATOM 0 H VAL A 11 3.723 6.211 1.437 1.00 0.00 H new ATOM 0 HA VAL A 11 1.586 4.078 1.691 1.00 0.00 H new ATOM 0 HB VAL A 11 2.462 5.869 -0.650 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.540 4.852 -1.836 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.718 3.612 -1.345 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.212 3.823 -0.422 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.208 6.885 -0.430 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -0.115 5.859 0.988 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.155 7.103 1.061 1.00 0.00 H new ATOM 191 N LEU A 12 3.600 2.596 1.392 1.00 0.00 N ATOM 192 CA LEU A 12 4.609 1.583 0.966 1.00 0.00 C ATOM 193 C LEU A 12 3.945 0.586 0.018 1.00 0.00 C ATOM 194 O LEU A 12 3.081 -0.173 0.412 1.00 0.00 O ATOM 195 CB LEU A 12 5.060 0.879 2.250 1.00 0.00 C ATOM 196 CG LEU A 12 5.242 1.898 3.377 1.00 0.00 C ATOM 197 CD1 LEU A 12 4.304 1.545 4.530 1.00 0.00 C ATOM 198 CD2 LEU A 12 6.688 1.855 3.872 1.00 0.00 C ATOM 0 H LEU A 12 3.135 2.403 2.279 1.00 0.00 H new ATOM 0 HA LEU A 12 5.455 2.032 0.445 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.322 0.132 2.542 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.997 0.350 2.073 1.00 0.00 H new ATOM 0 HG LEU A 12 5.012 2.897 3.008 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.430 2.268 5.336 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.272 1.568 4.180 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.540 0.547 4.898 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.819 2.580 4.675 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.916 0.856 4.244 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.361 2.098 3.050 1.00 0.00 H new ATOM 210 N VAL A 13 4.318 0.585 -1.231 1.00 0.00 N ATOM 211 CA VAL A 13 3.670 -0.362 -2.182 1.00 0.00 C ATOM 212 C VAL A 13 4.721 -1.218 -2.886 1.00 0.00 C ATOM 213 O VAL A 13 5.372 -0.791 -3.817 1.00 0.00 O ATOM 214 CB VAL A 13 2.909 0.519 -3.179 1.00 0.00 C ATOM 215 CG1 VAL A 13 1.786 -0.293 -3.819 1.00 0.00 C ATOM 216 CG2 VAL A 13 2.299 1.723 -2.450 1.00 0.00 C ATOM 0 H VAL A 13 5.034 1.191 -1.632 1.00 0.00 H new ATOM 0 HA VAL A 13 3.000 -1.057 -1.676 1.00 0.00 H new ATOM 0 HB VAL A 13 3.600 0.868 -3.946 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.244 0.332 -4.528 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.209 -1.151 -4.341 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.102 -0.641 -3.045 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.759 2.345 -3.164 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.610 1.372 -1.681 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.093 2.308 -1.986 1.00 0.00 H new ATOM 226 N VAL A 14 4.889 -2.427 -2.435 1.00 0.00 N ATOM 227 CA VAL A 14 5.902 -3.323 -3.053 1.00 0.00 C ATOM 228 C VAL A 14 5.206 -4.489 -3.779 1.00 0.00 C ATOM 229 O VAL A 14 4.173 -4.977 -3.351 1.00 0.00 O ATOM 230 CB VAL A 14 6.759 -3.811 -1.869 1.00 0.00 C ATOM 231 CG1 VAL A 14 6.926 -2.689 -0.838 1.00 0.00 C ATOM 232 CG2 VAL A 14 6.092 -5.015 -1.197 1.00 0.00 C ATOM 0 H VAL A 14 4.365 -2.835 -1.661 1.00 0.00 H new ATOM 0 HA VAL A 14 6.512 -2.825 -3.806 1.00 0.00 H new ATOM 0 HB VAL A 14 7.738 -4.102 -2.249 1.00 0.00 H new ATOM 0 HG11 VAL A 14 7.533 -3.046 -0.006 1.00 0.00 H new ATOM 0 HG12 VAL A 14 7.417 -1.835 -1.305 1.00 0.00 H new ATOM 0 HG13 VAL A 14 5.946 -2.386 -0.468 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.706 -5.352 -0.362 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.107 -4.727 -0.830 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.988 -5.824 -1.920 1.00 0.00 H new ATOM 242 N GLU A 15 5.751 -4.933 -4.884 1.00 0.00 N ATOM 243 CA GLU A 15 5.091 -6.053 -5.627 1.00 0.00 C ATOM 244 C GLU A 15 5.993 -6.616 -6.738 1.00 0.00 C ATOM 245 O GLU A 15 6.668 -7.608 -6.555 1.00 0.00 O ATOM 246 CB GLU A 15 3.841 -5.422 -6.230 1.00 0.00 C ATOM 247 CG GLU A 15 3.266 -6.340 -7.309 1.00 0.00 C ATOM 248 CD GLU A 15 1.784 -6.021 -7.503 1.00 0.00 C ATOM 249 OE1 GLU A 15 1.419 -4.871 -7.321 1.00 0.00 O ATOM 250 OE2 GLU A 15 1.040 -6.931 -7.828 1.00 0.00 O ATOM 0 H GLU A 15 6.611 -4.576 -5.300 1.00 0.00 H new ATOM 0 HA GLU A 15 4.872 -6.894 -4.970 1.00 0.00 H new ATOM 0 HB2 GLU A 15 3.098 -5.250 -5.452 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.084 -4.450 -6.659 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.806 -6.202 -8.246 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.391 -7.384 -7.020 1.00 0.00 H new ATOM 257 N ASP A 16 5.991 -6.013 -7.899 1.00 0.00 N ATOM 258 CA ASP A 16 6.833 -6.547 -9.003 1.00 0.00 C ATOM 259 C ASP A 16 7.704 -5.456 -9.627 1.00 0.00 C ATOM 260 O ASP A 16 7.348 -4.846 -10.614 1.00 0.00 O ATOM 261 CB ASP A 16 5.860 -7.104 -10.036 1.00 0.00 C ATOM 262 CG ASP A 16 4.766 -6.077 -10.318 1.00 0.00 C ATOM 263 OD1 ASP A 16 4.843 -4.995 -9.761 1.00 0.00 O ATOM 264 OD2 ASP A 16 3.867 -6.393 -11.080 1.00 0.00 O ATOM 0 H ASP A 16 5.447 -5.181 -8.126 1.00 0.00 H new ATOM 0 HA ASP A 16 7.518 -7.310 -8.632 1.00 0.00 H new ATOM 0 HB2 ASP A 16 6.391 -7.346 -10.957 1.00 0.00 H new ATOM 0 HB3 ASP A 16 5.417 -8.030 -9.670 1.00 0.00 H new ATOM 269 N GLU A 17 8.855 -5.251 -9.059 1.00 0.00 N ATOM 270 CA GLU A 17 9.836 -4.246 -9.574 1.00 0.00 C ATOM 271 C GLU A 17 9.217 -3.140 -10.451 1.00 0.00 C ATOM 272 O GLU A 17 9.044 -2.019 -10.017 1.00 0.00 O ATOM 273 CB GLU A 17 10.816 -5.080 -10.399 1.00 0.00 C ATOM 274 CG GLU A 17 11.826 -4.159 -11.086 1.00 0.00 C ATOM 275 CD GLU A 17 12.720 -4.984 -12.015 1.00 0.00 C ATOM 276 OE1 GLU A 17 12.265 -6.016 -12.480 1.00 0.00 O ATOM 277 OE2 GLU A 17 13.844 -4.569 -12.247 1.00 0.00 O ATOM 0 H GLU A 17 9.172 -5.754 -8.230 1.00 0.00 H new ATOM 0 HA GLU A 17 10.288 -3.703 -8.744 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.336 -5.790 -9.756 1.00 0.00 H new ATOM 0 HB3 GLU A 17 10.275 -5.663 -11.145 1.00 0.00 H new ATOM 0 HG2 GLU A 17 11.304 -3.390 -11.655 1.00 0.00 H new ATOM 0 HG3 GLU A 17 12.433 -3.647 -10.340 1.00 0.00 H new ATOM 284 N SER A 18 8.958 -3.427 -11.702 1.00 0.00 N ATOM 285 CA SER A 18 8.437 -2.372 -12.630 1.00 0.00 C ATOM 286 C SER A 18 6.936 -2.074 -12.468 1.00 0.00 C ATOM 287 O SER A 18 6.544 -0.928 -12.381 1.00 0.00 O ATOM 288 CB SER A 18 8.710 -2.930 -14.025 1.00 0.00 C ATOM 289 OG SER A 18 8.940 -1.854 -14.925 1.00 0.00 O ATOM 0 H SER A 18 9.084 -4.347 -12.123 1.00 0.00 H new ATOM 0 HA SER A 18 8.925 -1.419 -12.424 1.00 0.00 H new ATOM 0 HB2 SER A 18 9.576 -3.591 -14.002 1.00 0.00 H new ATOM 0 HB3 SER A 18 7.863 -3.527 -14.363 1.00 0.00 H new ATOM 0 HG SER A 18 9.117 -2.209 -15.821 1.00 0.00 H new ATOM 295 N MET A 19 6.084 -3.063 -12.462 1.00 0.00 N ATOM 296 CA MET A 19 4.625 -2.760 -12.349 1.00 0.00 C ATOM 297 C MET A 19 4.350 -1.918 -11.115 1.00 0.00 C ATOM 298 O MET A 19 3.428 -1.128 -11.079 1.00 0.00 O ATOM 299 CB MET A 19 3.924 -4.111 -12.245 1.00 0.00 C ATOM 300 CG MET A 19 2.714 -4.118 -13.176 1.00 0.00 C ATOM 301 SD MET A 19 1.218 -3.767 -12.221 1.00 0.00 S ATOM 302 CE MET A 19 0.987 -5.425 -11.535 1.00 0.00 C ATOM 0 H MET A 19 6.327 -4.051 -12.529 1.00 0.00 H new ATOM 0 HA MET A 19 4.267 -2.191 -13.207 1.00 0.00 H new ATOM 0 HB2 MET A 19 4.611 -4.913 -12.515 1.00 0.00 H new ATOM 0 HB3 MET A 19 3.609 -4.293 -11.218 1.00 0.00 H new ATOM 0 HG2 MET A 19 2.841 -3.372 -13.961 1.00 0.00 H new ATOM 0 HG3 MET A 19 2.626 -5.087 -13.668 1.00 0.00 H new ATOM 0 HE1 MET A 19 -0.078 -5.634 -11.439 1.00 0.00 H new ATOM 0 HE2 MET A 19 1.442 -6.160 -12.199 1.00 0.00 H new ATOM 0 HE3 MET A 19 1.458 -5.482 -10.554 1.00 0.00 H new ATOM 312 N ILE A 20 5.141 -2.074 -10.103 1.00 0.00 N ATOM 313 CA ILE A 20 4.921 -1.278 -8.877 1.00 0.00 C ATOM 314 C ILE A 20 5.961 -0.167 -8.788 1.00 0.00 C ATOM 315 O ILE A 20 6.533 0.088 -7.747 1.00 0.00 O ATOM 316 CB ILE A 20 5.084 -2.275 -7.745 1.00 0.00 C ATOM 317 CG1 ILE A 20 4.796 -1.580 -6.413 1.00 0.00 C ATOM 318 CG2 ILE A 20 6.506 -2.823 -7.741 1.00 0.00 C ATOM 319 CD1 ILE A 20 3.578 -2.226 -5.750 1.00 0.00 C ATOM 0 H ILE A 20 5.931 -2.718 -10.071 1.00 0.00 H new ATOM 0 HA ILE A 20 3.945 -0.793 -8.851 1.00 0.00 H new ATOM 0 HB ILE A 20 4.385 -3.100 -7.885 1.00 0.00 H new ATOM 0 HG12 ILE A 20 5.663 -1.656 -5.757 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.613 -0.518 -6.577 1.00 0.00 H new ATOM 0 HG21 ILE A 20 6.618 -3.538 -6.926 1.00 0.00 H new ATOM 0 HG22 ILE A 20 6.707 -3.320 -8.690 1.00 0.00 H new ATOM 0 HG23 ILE A 20 7.211 -2.003 -7.604 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.374 -1.730 -4.801 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.712 -2.127 -6.405 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.779 -3.282 -5.571 1.00 0.00 H new ATOM 331 N ALA A 21 6.209 0.491 -9.883 1.00 0.00 N ATOM 332 CA ALA A 21 7.213 1.587 -9.888 1.00 0.00 C ATOM 333 C ALA A 21 6.595 2.847 -10.499 1.00 0.00 C ATOM 334 O ALA A 21 6.417 3.847 -9.835 1.00 0.00 O ATOM 335 CB ALA A 21 8.349 1.053 -10.750 1.00 0.00 C ATOM 0 H ALA A 21 5.757 0.316 -10.780 1.00 0.00 H new ATOM 0 HA ALA A 21 7.558 1.861 -8.891 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.141 1.799 -10.811 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.744 0.140 -10.306 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.976 0.837 -11.751 1.00 0.00 H new ATOM 341 N MET A 22 6.242 2.802 -11.753 1.00 0.00 N ATOM 342 CA MET A 22 5.605 3.995 -12.374 1.00 0.00 C ATOM 343 C MET A 22 4.187 4.141 -11.815 1.00 0.00 C ATOM 344 O MET A 22 3.532 5.149 -11.993 1.00 0.00 O ATOM 345 CB MET A 22 5.567 3.700 -13.874 1.00 0.00 C ATOM 346 CG MET A 22 5.415 5.011 -14.647 1.00 0.00 C ATOM 347 SD MET A 22 3.667 5.473 -14.719 1.00 0.00 S ATOM 348 CE MET A 22 3.887 7.073 -15.538 1.00 0.00 C ATOM 0 H MET A 22 6.366 1.999 -12.369 1.00 0.00 H new ATOM 0 HA MET A 22 6.143 4.921 -12.170 1.00 0.00 H new ATOM 0 HB2 MET A 22 6.481 3.190 -14.178 1.00 0.00 H new ATOM 0 HB3 MET A 22 4.737 3.032 -14.103 1.00 0.00 H new ATOM 0 HG2 MET A 22 5.990 5.800 -14.162 1.00 0.00 H new ATOM 0 HG3 MET A 22 5.814 4.899 -15.655 1.00 0.00 H new ATOM 0 HE1 MET A 22 2.915 7.543 -15.685 1.00 0.00 H new ATOM 0 HE2 MET A 22 4.512 7.716 -14.918 1.00 0.00 H new ATOM 0 HE3 MET A 22 4.367 6.924 -16.505 1.00 0.00 H new ATOM 358 N LEU A 23 3.714 3.124 -11.140 1.00 0.00 N ATOM 359 CA LEU A 23 2.343 3.164 -10.559 1.00 0.00 C ATOM 360 C LEU A 23 2.374 3.742 -9.136 1.00 0.00 C ATOM 361 O LEU A 23 1.345 4.019 -8.554 1.00 0.00 O ATOM 362 CB LEU A 23 1.913 1.692 -10.545 1.00 0.00 C ATOM 363 CG LEU A 23 0.683 1.478 -9.650 1.00 0.00 C ATOM 364 CD1 LEU A 23 1.110 1.465 -8.182 1.00 0.00 C ATOM 365 CD2 LEU A 23 -0.345 2.592 -9.875 1.00 0.00 C ATOM 0 H LEU A 23 4.227 2.260 -10.966 1.00 0.00 H new ATOM 0 HA LEU A 23 1.659 3.797 -11.124 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.687 1.367 -11.561 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.737 1.074 -10.188 1.00 0.00 H new ATOM 0 HG LEU A 23 0.227 0.522 -9.907 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.235 1.313 -7.550 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.822 0.656 -8.017 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.578 2.417 -7.931 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.210 2.424 -9.233 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.104 3.556 -9.634 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.662 2.590 -10.918 1.00 0.00 H new ATOM 377 N ILE A 24 3.538 3.920 -8.567 1.00 0.00 N ATOM 378 CA ILE A 24 3.603 4.471 -7.178 1.00 0.00 C ATOM 379 C ILE A 24 4.133 5.908 -7.185 1.00 0.00 C ATOM 380 O ILE A 24 3.685 6.748 -6.429 1.00 0.00 O ATOM 381 CB ILE A 24 4.557 3.555 -6.412 1.00 0.00 C ATOM 382 CG1 ILE A 24 4.658 4.040 -4.964 1.00 0.00 C ATOM 383 CG2 ILE A 24 5.944 3.575 -7.052 1.00 0.00 C ATOM 384 CD1 ILE A 24 5.611 3.136 -4.186 1.00 0.00 C ATOM 0 H ILE A 24 4.439 3.711 -8.998 1.00 0.00 H new ATOM 0 HA ILE A 24 2.615 4.502 -6.718 1.00 0.00 H new ATOM 0 HB ILE A 24 4.173 2.535 -6.441 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.015 5.069 -4.939 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.673 4.033 -4.498 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.611 2.918 -6.495 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.874 3.231 -8.084 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.338 4.591 -7.035 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.682 3.483 -3.155 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.235 2.113 -4.200 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.598 3.165 -4.647 1.00 0.00 H new ATOM 396 N GLU A 25 5.089 6.196 -8.023 1.00 0.00 N ATOM 397 CA GLU A 25 5.650 7.580 -8.067 1.00 0.00 C ATOM 398 C GLU A 25 4.636 8.544 -8.685 1.00 0.00 C ATOM 399 O GLU A 25 4.534 9.690 -8.293 1.00 0.00 O ATOM 400 CB GLU A 25 6.897 7.480 -8.946 1.00 0.00 C ATOM 401 CG GLU A 25 8.125 7.238 -8.065 1.00 0.00 C ATOM 402 CD GLU A 25 9.210 8.262 -8.407 1.00 0.00 C ATOM 403 OE1 GLU A 25 9.170 9.348 -7.853 1.00 0.00 O ATOM 404 OE2 GLU A 25 10.065 7.940 -9.216 1.00 0.00 O ATOM 0 H GLU A 25 5.507 5.536 -8.679 1.00 0.00 H new ATOM 0 HA GLU A 25 5.884 7.959 -7.072 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.785 6.667 -9.663 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.024 8.397 -9.521 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.852 7.319 -7.013 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.503 6.227 -8.219 1.00 0.00 H new ATOM 411 N ASP A 26 3.889 8.092 -9.652 1.00 0.00 N ATOM 412 CA ASP A 26 2.886 8.984 -10.297 1.00 0.00 C ATOM 413 C ASP A 26 1.772 9.337 -9.305 1.00 0.00 C ATOM 414 O ASP A 26 1.354 10.474 -9.204 1.00 0.00 O ATOM 415 CB ASP A 26 2.338 8.164 -11.469 1.00 0.00 C ATOM 416 CG ASP A 26 1.298 7.161 -10.961 1.00 0.00 C ATOM 417 OD1 ASP A 26 1.692 6.203 -10.316 1.00 0.00 O ATOM 418 OD2 ASP A 26 0.126 7.372 -11.224 1.00 0.00 O ATOM 0 H ASP A 26 3.929 7.143 -10.024 1.00 0.00 H new ATOM 0 HA ASP A 26 3.316 9.930 -10.627 1.00 0.00 H new ATOM 0 HB2 ASP A 26 1.887 8.826 -12.208 1.00 0.00 H new ATOM 0 HB3 ASP A 26 3.152 7.637 -11.967 1.00 0.00 H new ATOM 423 N THR A 27 1.291 8.371 -8.572 1.00 0.00 N ATOM 424 CA THR A 27 0.209 8.650 -7.588 1.00 0.00 C ATOM 425 C THR A 27 0.669 9.727 -6.605 1.00 0.00 C ATOM 426 O THR A 27 -0.030 10.685 -6.344 1.00 0.00 O ATOM 427 CB THR A 27 -0.018 7.322 -6.865 1.00 0.00 C ATOM 428 OG1 THR A 27 1.178 6.558 -6.901 1.00 0.00 O ATOM 429 CG2 THR A 27 -1.142 6.548 -7.554 1.00 0.00 C ATOM 0 H THR A 27 1.601 7.400 -8.612 1.00 0.00 H new ATOM 0 HA THR A 27 -0.703 9.015 -8.060 1.00 0.00 H new ATOM 0 HB THR A 27 -0.297 7.514 -5.829 1.00 0.00 H new ATOM 0 HG1 THR A 27 1.906 7.070 -6.490 1.00 0.00 H new ATOM 0 HG21 THR A 27 -1.302 5.602 -7.037 1.00 0.00 H new ATOM 0 HG22 THR A 27 -2.059 7.136 -7.526 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.867 6.353 -8.591 1.00 0.00 H new ATOM 437 N LEU A 28 1.846 9.575 -6.064 1.00 0.00 N ATOM 438 CA LEU A 28 2.367 10.587 -5.100 1.00 0.00 C ATOM 439 C LEU A 28 2.570 11.924 -5.823 1.00 0.00 C ATOM 440 O LEU A 28 2.283 12.979 -5.293 1.00 0.00 O ATOM 441 CB LEU A 28 3.698 9.990 -4.602 1.00 0.00 C ATOM 442 CG LEU A 28 4.772 11.076 -4.457 1.00 0.00 C ATOM 443 CD1 LEU A 28 4.399 12.019 -3.313 1.00 0.00 C ATOM 444 CD2 LEU A 28 6.120 10.418 -4.154 1.00 0.00 C ATOM 0 H LEU A 28 2.472 8.791 -6.248 1.00 0.00 H new ATOM 0 HA LEU A 28 1.691 10.790 -4.269 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.542 9.498 -3.642 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.041 9.226 -5.300 1.00 0.00 H new ATOM 0 HG LEU A 28 4.841 11.644 -5.385 1.00 0.00 H new ATOM 0 HD11 LEU A 28 5.164 12.789 -3.212 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.438 12.487 -3.526 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.329 11.454 -2.384 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.885 11.187 -4.050 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.048 9.851 -3.226 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.389 9.747 -4.970 1.00 0.00 H new ATOM 456 N CYS A 29 3.059 11.885 -7.031 1.00 0.00 N ATOM 457 CA CYS A 29 3.276 13.149 -7.789 1.00 0.00 C ATOM 458 C CYS A 29 2.045 14.052 -7.668 1.00 0.00 C ATOM 459 O CYS A 29 2.134 15.258 -7.786 1.00 0.00 O ATOM 460 CB CYS A 29 3.477 12.709 -9.238 1.00 0.00 C ATOM 461 SG CYS A 29 3.601 14.168 -10.302 1.00 0.00 S ATOM 0 H CYS A 29 3.318 11.032 -7.527 1.00 0.00 H new ATOM 0 HA CYS A 29 4.127 13.718 -7.414 1.00 0.00 H new ATOM 0 HB2 CYS A 29 4.381 12.106 -9.324 1.00 0.00 H new ATOM 0 HB3 CYS A 29 2.644 12.083 -9.558 1.00 0.00 H new ATOM 0 HG CYS A 29 3.191 15.216 -9.651 1.00 0.00 H new ATOM 467 N GLU A 30 0.897 13.474 -7.441 1.00 0.00 N ATOM 468 CA GLU A 30 -0.340 14.289 -7.320 1.00 0.00 C ATOM 469 C GLU A 30 -0.645 14.594 -5.848 1.00 0.00 C ATOM 470 O GLU A 30 -0.798 15.735 -5.462 1.00 0.00 O ATOM 471 CB GLU A 30 -1.442 13.423 -7.932 1.00 0.00 C ATOM 472 CG GLU A 30 -2.429 14.311 -8.695 1.00 0.00 C ATOM 473 CD GLU A 30 -3.585 14.700 -7.774 1.00 0.00 C ATOM 474 OE1 GLU A 30 -3.886 13.931 -6.876 1.00 0.00 O ATOM 475 OE2 GLU A 30 -4.152 15.760 -7.984 1.00 0.00 O ATOM 0 H GLU A 30 0.765 12.468 -7.334 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.248 15.252 -7.823 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.006 12.684 -8.605 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.963 12.872 -7.149 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.923 15.206 -9.058 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.809 13.782 -9.569 1.00 0.00 H new ATOM 482 N LEU A 31 -0.741 13.584 -5.023 1.00 0.00 N ATOM 483 CA LEU A 31 -1.043 13.826 -3.581 1.00 0.00 C ATOM 484 C LEU A 31 0.141 14.517 -2.895 1.00 0.00 C ATOM 485 O LEU A 31 -0.002 15.571 -2.308 1.00 0.00 O ATOM 486 CB LEU A 31 -1.281 12.438 -2.984 1.00 0.00 C ATOM 487 CG LEU A 31 -2.503 11.803 -3.651 1.00 0.00 C ATOM 488 CD1 LEU A 31 -2.054 10.652 -4.552 1.00 0.00 C ATOM 489 CD2 LEU A 31 -3.449 11.267 -2.575 1.00 0.00 C ATOM 0 H LEU A 31 -0.624 12.605 -5.284 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.906 14.478 -3.446 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.403 11.810 -3.134 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.438 12.514 -1.908 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.019 12.553 -4.250 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.925 10.200 -5.027 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.379 11.032 -5.319 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.537 9.902 -3.954 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.320 10.814 -3.049 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.931 10.518 -1.976 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.771 12.086 -1.932 1.00 0.00 H new ATOM 501 N GLY A 32 1.309 13.937 -2.965 1.00 0.00 N ATOM 502 CA GLY A 32 2.491 14.574 -2.316 1.00 0.00 C ATOM 503 C GLY A 32 2.935 13.740 -1.112 1.00 0.00 C ATOM 504 O GLY A 32 3.581 14.235 -0.210 1.00 0.00 O ATOM 0 H GLY A 32 1.495 13.054 -3.441 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.308 14.659 -3.032 1.00 0.00 H new ATOM 0 HA3 GLY A 32 2.241 15.586 -1.997 1.00 0.00 H new ATOM 508 N HIS A 33 2.600 12.479 -1.088 1.00 0.00 N ATOM 509 CA HIS A 33 3.014 11.623 0.060 1.00 0.00 C ATOM 510 C HIS A 33 4.481 11.890 0.406 1.00 0.00 C ATOM 511 O HIS A 33 5.190 12.548 -0.329 1.00 0.00 O ATOM 512 CB HIS A 33 2.823 10.188 -0.429 1.00 0.00 C ATOM 513 CG HIS A 33 1.373 9.810 -0.303 1.00 0.00 C ATOM 514 ND1 HIS A 33 0.517 9.793 -1.393 1.00 0.00 N ATOM 515 CD2 HIS A 33 0.612 9.440 0.777 1.00 0.00 C ATOM 516 CE1 HIS A 33 -0.698 9.423 -0.948 1.00 0.00 C ATOM 517 NE2 HIS A 33 -0.695 9.195 0.368 1.00 0.00 N ATOM 0 H HIS A 33 2.059 12.005 -1.811 1.00 0.00 H new ATOM 0 HA HIS A 33 2.434 11.822 0.961 1.00 0.00 H new ATOM 0 HB2 HIS A 33 3.145 10.099 -1.466 1.00 0.00 H new ATOM 0 HB3 HIS A 33 3.441 9.507 0.156 1.00 0.00 H new ATOM 0 HD2 HIS A 33 0.973 9.352 1.791 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -1.569 9.323 -1.578 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -1.482 8.904 0.948 1.00 0.00 H new ATOM 525 N GLU A 34 4.939 11.389 1.520 1.00 0.00 N ATOM 526 CA GLU A 34 6.358 11.621 1.912 1.00 0.00 C ATOM 527 C GLU A 34 7.288 10.690 1.128 1.00 0.00 C ATOM 528 O GLU A 34 8.028 11.120 0.267 1.00 0.00 O ATOM 529 CB GLU A 34 6.410 11.302 3.406 1.00 0.00 C ATOM 530 CG GLU A 34 7.360 12.275 4.105 1.00 0.00 C ATOM 531 CD GLU A 34 7.934 11.611 5.358 1.00 0.00 C ATOM 532 OE1 GLU A 34 7.995 10.393 5.382 1.00 0.00 O ATOM 533 OE2 GLU A 34 8.302 12.332 6.271 1.00 0.00 O ATOM 0 H GLU A 34 4.393 10.830 2.175 1.00 0.00 H new ATOM 0 HA GLU A 34 6.684 12.639 1.700 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.413 11.377 3.839 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.747 10.277 3.558 1.00 0.00 H new ATOM 0 HG2 GLU A 34 8.166 12.562 3.430 1.00 0.00 H new ATOM 0 HG3 GLU A 34 6.830 13.188 4.374 1.00 0.00 H new ATOM 540 N VAL A 35 7.254 9.418 1.418 1.00 0.00 N ATOM 541 CA VAL A 35 8.135 8.461 0.688 1.00 0.00 C ATOM 542 C VAL A 35 7.462 7.089 0.595 1.00 0.00 C ATOM 543 O VAL A 35 7.221 6.438 1.591 1.00 0.00 O ATOM 544 CB VAL A 35 9.409 8.370 1.527 1.00 0.00 C ATOM 545 CG1 VAL A 35 10.389 7.401 0.865 1.00 0.00 C ATOM 546 CG2 VAL A 35 10.054 9.754 1.630 1.00 0.00 C ATOM 0 H VAL A 35 6.654 8.999 2.129 1.00 0.00 H new ATOM 0 HA VAL A 35 8.340 8.788 -0.331 1.00 0.00 H new ATOM 0 HB VAL A 35 9.159 8.010 2.525 1.00 0.00 H new ATOM 0 HG11 VAL A 35 11.297 7.337 1.464 1.00 0.00 H new ATOM 0 HG12 VAL A 35 9.932 6.414 0.792 1.00 0.00 H new ATOM 0 HG13 VAL A 35 10.637 7.760 -0.134 1.00 0.00 H new ATOM 0 HG21 VAL A 35 10.963 9.688 2.229 1.00 0.00 H new ATOM 0 HG22 VAL A 35 10.302 10.115 0.632 1.00 0.00 H new ATOM 0 HG23 VAL A 35 9.357 10.446 2.103 1.00 0.00 H new ATOM 556 N ALA A 36 7.158 6.647 -0.595 1.00 0.00 N ATOM 557 CA ALA A 36 6.505 5.327 -0.759 1.00 0.00 C ATOM 558 C ALA A 36 7.556 4.251 -1.026 1.00 0.00 C ATOM 559 O ALA A 36 8.742 4.513 -1.025 1.00 0.00 O ATOM 560 CB ALA A 36 5.587 5.487 -1.971 1.00 0.00 C ATOM 0 H ALA A 36 7.337 7.151 -1.464 1.00 0.00 H new ATOM 0 HA ALA A 36 5.956 5.024 0.132 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.065 4.549 -2.159 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.859 6.274 -1.775 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.181 5.753 -2.845 1.00 0.00 H new ATOM 566 N ALA A 37 7.132 3.044 -1.260 1.00 0.00 N ATOM 567 CA ALA A 37 8.108 1.952 -1.536 1.00 0.00 C ATOM 568 C ALA A 37 7.755 1.271 -2.860 1.00 0.00 C ATOM 569 O ALA A 37 6.602 1.034 -3.150 1.00 0.00 O ATOM 570 CB ALA A 37 7.949 0.988 -0.364 1.00 0.00 C ATOM 0 H ALA A 37 6.151 2.764 -1.273 1.00 0.00 H new ATOM 0 HA ALA A 37 9.134 2.309 -1.627 1.00 0.00 H new ATOM 0 HB1 ALA A 37 8.634 0.149 -0.487 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.175 1.507 0.567 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.924 0.618 -0.334 1.00 0.00 H new ATOM 576 N THR A 38 8.730 0.968 -3.675 1.00 0.00 N ATOM 577 CA THR A 38 8.427 0.324 -4.982 1.00 0.00 C ATOM 578 C THR A 38 9.000 -1.094 -5.051 1.00 0.00 C ATOM 579 O THR A 38 9.807 -1.500 -4.237 1.00 0.00 O ATOM 580 CB THR A 38 9.095 1.219 -6.026 1.00 0.00 C ATOM 581 OG1 THR A 38 8.741 0.772 -7.328 1.00 0.00 O ATOM 582 CG2 THR A 38 10.613 1.156 -5.860 1.00 0.00 C ATOM 0 H THR A 38 9.719 1.139 -3.492 1.00 0.00 H new ATOM 0 HA THR A 38 7.353 0.227 -5.141 1.00 0.00 H new ATOM 0 HB THR A 38 8.759 2.247 -5.890 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.889 0.289 -7.288 1.00 0.00 H new ATOM 0 HG21 THR A 38 11.087 1.795 -6.605 1.00 0.00 H new ATOM 0 HG22 THR A 38 10.884 1.500 -4.862 1.00 0.00 H new ATOM 0 HG23 THR A 38 10.951 0.129 -5.994 1.00 0.00 H new ATOM 590 N ALA A 39 8.573 -1.842 -6.027 1.00 0.00 N ATOM 591 CA ALA A 39 9.057 -3.244 -6.195 1.00 0.00 C ATOM 592 C ALA A 39 8.841 -4.015 -4.903 1.00 0.00 C ATOM 593 O ALA A 39 8.499 -3.442 -3.898 1.00 0.00 O ATOM 594 CB ALA A 39 10.543 -3.122 -6.499 1.00 0.00 C ATOM 0 H ALA A 39 7.898 -1.538 -6.729 1.00 0.00 H new ATOM 0 HA ALA A 39 8.528 -3.775 -6.986 1.00 0.00 H new ATOM 0 HB1 ALA A 39 10.969 -4.116 -6.635 1.00 0.00 H new ATOM 0 HB2 ALA A 39 10.681 -2.540 -7.410 1.00 0.00 H new ATOM 0 HB3 ALA A 39 11.044 -2.623 -5.670 1.00 0.00 H new ATOM 600 N SER A 40 9.038 -5.304 -4.917 1.00 0.00 N ATOM 601 CA SER A 40 8.841 -6.090 -3.667 1.00 0.00 C ATOM 602 C SER A 40 10.184 -6.349 -2.993 1.00 0.00 C ATOM 603 O SER A 40 11.053 -7.004 -3.534 1.00 0.00 O ATOM 604 CB SER A 40 8.186 -7.393 -4.102 1.00 0.00 C ATOM 605 OG SER A 40 9.103 -8.149 -4.883 1.00 0.00 O ATOM 0 H SER A 40 9.325 -5.844 -5.733 1.00 0.00 H new ATOM 0 HA SER A 40 8.222 -5.561 -2.942 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.878 -7.967 -3.228 1.00 0.00 H new ATOM 0 HB3 SER A 40 7.286 -7.184 -4.680 1.00 0.00 H new ATOM 0 HG SER A 40 10.003 -7.774 -4.785 1.00 0.00 H new ATOM 611 N ARG A 41 10.360 -5.824 -1.815 1.00 0.00 N ATOM 612 CA ARG A 41 11.640 -6.013 -1.098 1.00 0.00 C ATOM 613 C ARG A 41 11.393 -6.599 0.295 1.00 0.00 C ATOM 614 O ARG A 41 10.613 -6.080 1.067 1.00 0.00 O ATOM 615 CB ARG A 41 12.226 -4.606 -0.991 1.00 0.00 C ATOM 616 CG ARG A 41 13.734 -4.697 -0.767 1.00 0.00 C ATOM 617 CD ARG A 41 14.401 -5.212 -2.043 1.00 0.00 C ATOM 618 NE ARG A 41 15.639 -4.399 -2.184 1.00 0.00 N ATOM 619 CZ ARG A 41 16.118 -4.147 -3.370 1.00 0.00 C ATOM 620 NH1 ARG A 41 16.265 -5.116 -4.231 1.00 0.00 N ATOM 621 NH2 ARG A 41 16.448 -2.927 -3.695 1.00 0.00 N ATOM 0 H ARG A 41 9.664 -5.268 -1.318 1.00 0.00 H new ATOM 0 HA ARG A 41 12.308 -6.704 -1.612 1.00 0.00 H new ATOM 0 HB2 ARG A 41 12.016 -4.043 -1.901 1.00 0.00 H new ATOM 0 HB3 ARG A 41 11.757 -4.067 -0.168 1.00 0.00 H new ATOM 0 HG2 ARG A 41 14.134 -3.718 -0.503 1.00 0.00 H new ATOM 0 HG3 ARG A 41 13.950 -5.366 0.066 1.00 0.00 H new ATOM 0 HD2 ARG A 41 14.633 -6.274 -1.966 1.00 0.00 H new ATOM 0 HD3 ARG A 41 13.748 -5.090 -2.907 1.00 0.00 H new ATOM 0 HE ARG A 41 16.112 -4.040 -1.355 1.00 0.00 H new ATOM 0 HH11 ARG A 41 16.005 -6.069 -3.976 1.00 0.00 H new ATOM 0 HH12 ARG A 41 16.640 -4.921 -5.159 1.00 0.00 H new ATOM 0 HH21 ARG A 41 16.331 -2.170 -3.021 1.00 0.00 H new ATOM 0 HH22 ARG A 41 16.823 -2.730 -4.623 1.00 0.00 H new ATOM 635 N MET A 42 12.055 -7.674 0.624 1.00 0.00 N ATOM 636 CA MET A 42 11.862 -8.284 1.968 1.00 0.00 C ATOM 637 C MET A 42 12.403 -7.344 3.048 1.00 0.00 C ATOM 638 O MET A 42 11.849 -7.237 4.125 1.00 0.00 O ATOM 639 CB MET A 42 12.665 -9.584 1.929 1.00 0.00 C ATOM 640 CG MET A 42 11.961 -10.587 1.015 1.00 0.00 C ATOM 641 SD MET A 42 13.124 -11.884 0.530 1.00 0.00 S ATOM 642 CE MET A 42 12.090 -13.291 0.999 1.00 0.00 C ATOM 0 H MET A 42 12.721 -8.156 0.020 1.00 0.00 H new ATOM 0 HA MET A 42 10.812 -8.465 2.200 1.00 0.00 H new ATOM 0 HB2 MET A 42 13.674 -9.390 1.566 1.00 0.00 H new ATOM 0 HB3 MET A 42 12.761 -9.996 2.934 1.00 0.00 H new ATOM 0 HG2 MET A 42 11.106 -11.025 1.529 1.00 0.00 H new ATOM 0 HG3 MET A 42 11.576 -10.080 0.130 1.00 0.00 H new ATOM 0 HE1 MET A 42 12.619 -14.219 0.783 1.00 0.00 H new ATOM 0 HE2 MET A 42 11.867 -13.240 2.065 1.00 0.00 H new ATOM 0 HE3 MET A 42 11.159 -13.264 0.432 1.00 0.00 H new ATOM 652 N GLN A 43 13.478 -6.656 2.766 1.00 0.00 N ATOM 653 CA GLN A 43 14.048 -5.717 3.775 1.00 0.00 C ATOM 654 C GLN A 43 13.039 -4.605 4.075 1.00 0.00 C ATOM 655 O GLN A 43 12.623 -4.420 5.201 1.00 0.00 O ATOM 656 CB GLN A 43 15.310 -5.143 3.127 1.00 0.00 C ATOM 657 CG GLN A 43 16.391 -4.960 4.195 1.00 0.00 C ATOM 658 CD GLN A 43 17.636 -4.337 3.561 1.00 0.00 C ATOM 659 OE1 GLN A 43 18.727 -4.856 3.700 1.00 0.00 O ATOM 660 NE2 GLN A 43 17.520 -3.239 2.867 1.00 0.00 N ATOM 0 H GLN A 43 13.985 -6.704 1.882 1.00 0.00 H new ATOM 0 HA GLN A 43 14.274 -6.210 4.720 1.00 0.00 H new ATOM 0 HB2 GLN A 43 15.667 -5.812 2.344 1.00 0.00 H new ATOM 0 HB3 GLN A 43 15.086 -4.187 2.653 1.00 0.00 H new ATOM 0 HG2 GLN A 43 16.020 -4.322 4.997 1.00 0.00 H new ATOM 0 HG3 GLN A 43 16.641 -5.922 4.643 1.00 0.00 H new ATOM 0 HE21 GLN A 43 16.605 -2.804 2.750 1.00 0.00 H new ATOM 0 HE22 GLN A 43 18.344 -2.816 2.441 1.00 0.00 H new ATOM 669 N GLU A 44 12.634 -3.866 3.075 1.00 0.00 N ATOM 670 CA GLU A 44 11.647 -2.776 3.312 1.00 0.00 C ATOM 671 C GLU A 44 10.339 -3.369 3.835 1.00 0.00 C ATOM 672 O GLU A 44 9.776 -2.897 4.802 1.00 0.00 O ATOM 673 CB GLU A 44 11.435 -2.117 1.950 1.00 0.00 C ATOM 674 CG GLU A 44 12.633 -1.222 1.627 1.00 0.00 C ATOM 675 CD GLU A 44 12.162 -0.009 0.824 1.00 0.00 C ATOM 676 OE1 GLU A 44 11.245 0.655 1.277 1.00 0.00 O ATOM 677 OE2 GLU A 44 12.727 0.236 -0.229 1.00 0.00 O ATOM 0 H GLU A 44 12.944 -3.971 2.109 1.00 0.00 H new ATOM 0 HA GLU A 44 11.994 -2.056 4.053 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.318 -2.879 1.179 1.00 0.00 H new ATOM 0 HB3 GLU A 44 10.518 -1.528 1.958 1.00 0.00 H new ATOM 0 HG2 GLU A 44 13.116 -0.896 2.548 1.00 0.00 H new ATOM 0 HG3 GLU A 44 13.376 -1.782 1.058 1.00 0.00 H new ATOM 684 N ALA A 45 9.853 -4.411 3.214 1.00 0.00 N ATOM 685 CA ALA A 45 8.590 -5.033 3.699 1.00 0.00 C ATOM 686 C ALA A 45 8.647 -5.142 5.220 1.00 0.00 C ATOM 687 O ALA A 45 7.699 -4.839 5.917 1.00 0.00 O ATOM 688 CB ALA A 45 8.559 -6.422 3.061 1.00 0.00 C ATOM 0 H ALA A 45 10.274 -4.855 2.398 1.00 0.00 H new ATOM 0 HA ALA A 45 7.702 -4.456 3.439 1.00 0.00 H new ATOM 0 HB1 ALA A 45 7.655 -6.945 3.372 1.00 0.00 H new ATOM 0 HB2 ALA A 45 8.567 -6.324 1.975 1.00 0.00 H new ATOM 0 HB3 ALA A 45 9.434 -6.989 3.380 1.00 0.00 H new ATOM 694 N LEU A 46 9.771 -5.555 5.735 1.00 0.00 N ATOM 695 CA LEU A 46 9.926 -5.669 7.207 1.00 0.00 C ATOM 696 C LEU A 46 9.788 -4.284 7.838 1.00 0.00 C ATOM 697 O LEU A 46 9.190 -4.117 8.883 1.00 0.00 O ATOM 698 CB LEU A 46 11.342 -6.210 7.402 1.00 0.00 C ATOM 699 CG LEU A 46 11.727 -6.134 8.879 1.00 0.00 C ATOM 700 CD1 LEU A 46 12.091 -7.530 9.389 1.00 0.00 C ATOM 701 CD2 LEU A 46 12.931 -5.205 9.042 1.00 0.00 C ATOM 0 H LEU A 46 10.594 -5.820 5.193 1.00 0.00 H new ATOM 0 HA LEU A 46 9.177 -6.313 7.669 1.00 0.00 H new ATOM 0 HB2 LEU A 46 11.398 -7.242 7.055 1.00 0.00 H new ATOM 0 HB3 LEU A 46 12.047 -5.634 6.803 1.00 0.00 H new ATOM 0 HG LEU A 46 10.885 -5.748 9.453 1.00 0.00 H new ATOM 0 HD11 LEU A 46 12.365 -7.473 10.442 1.00 0.00 H new ATOM 0 HD12 LEU A 46 11.235 -8.195 9.273 1.00 0.00 H new ATOM 0 HD13 LEU A 46 12.933 -7.919 8.816 1.00 0.00 H new ATOM 0 HD21 LEU A 46 13.208 -5.149 10.095 1.00 0.00 H new ATOM 0 HD22 LEU A 46 13.771 -5.594 8.466 1.00 0.00 H new ATOM 0 HD23 LEU A 46 12.674 -4.209 8.681 1.00 0.00 H new ATOM 713 N ASP A 47 10.340 -3.290 7.200 1.00 0.00 N ATOM 714 CA ASP A 47 10.249 -1.906 7.745 1.00 0.00 C ATOM 715 C ASP A 47 8.784 -1.476 7.859 1.00 0.00 C ATOM 716 O ASP A 47 8.372 -0.925 8.860 1.00 0.00 O ATOM 717 CB ASP A 47 10.999 -1.024 6.742 1.00 0.00 C ATOM 718 CG ASP A 47 12.504 -1.129 6.997 1.00 0.00 C ATOM 719 OD1 ASP A 47 12.941 -0.667 8.038 1.00 0.00 O ATOM 720 OD2 ASP A 47 13.194 -1.667 6.146 1.00 0.00 O ATOM 0 H ASP A 47 10.852 -3.376 6.322 1.00 0.00 H new ATOM 0 HA ASP A 47 10.678 -1.830 8.744 1.00 0.00 H new ATOM 0 HB2 ASP A 47 10.769 -1.337 5.723 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.674 0.012 6.838 1.00 0.00 H new ATOM 725 N ILE A 48 7.984 -1.732 6.855 1.00 0.00 N ATOM 726 CA ILE A 48 6.548 -1.336 6.951 1.00 0.00 C ATOM 727 C ILE A 48 5.861 -2.238 7.980 1.00 0.00 C ATOM 728 O ILE A 48 4.802 -1.932 8.489 1.00 0.00 O ATOM 729 CB ILE A 48 5.929 -1.496 5.539 1.00 0.00 C ATOM 730 CG1 ILE A 48 5.324 -2.901 5.364 1.00 0.00 C ATOM 731 CG2 ILE A 48 6.991 -1.251 4.461 1.00 0.00 C ATOM 732 CD1 ILE A 48 5.131 -3.213 3.876 1.00 0.00 C ATOM 0 H ILE A 48 8.258 -2.191 5.986 1.00 0.00 H new ATOM 0 HA ILE A 48 6.425 -0.303 7.278 1.00 0.00 H new ATOM 0 HB ILE A 48 5.134 -0.758 5.432 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.978 -3.646 5.817 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.367 -2.960 5.882 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.542 -1.367 3.475 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.387 -0.241 4.563 1.00 0.00 H new ATOM 0 HG23 ILE A 48 7.801 -1.971 4.578 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.703 -4.209 3.766 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.458 -2.478 3.434 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.095 -3.174 3.368 1.00 0.00 H new ATOM 744 N ALA A 49 6.477 -3.346 8.298 1.00 0.00 N ATOM 745 CA ALA A 49 5.893 -4.272 9.300 1.00 0.00 C ATOM 746 C ALA A 49 6.368 -3.881 10.700 1.00 0.00 C ATOM 747 O ALA A 49 5.634 -3.966 11.664 1.00 0.00 O ATOM 748 CB ALA A 49 6.420 -5.656 8.921 1.00 0.00 C ATOM 0 H ALA A 49 7.367 -3.647 7.901 1.00 0.00 H new ATOM 0 HA ALA A 49 4.803 -4.245 9.308 1.00 0.00 H new ATOM 0 HB1 ALA A 49 6.030 -6.397 9.619 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.097 -5.904 7.910 1.00 0.00 H new ATOM 0 HB3 ALA A 49 7.509 -5.655 8.964 1.00 0.00 H new ATOM 754 N ARG A 50 7.594 -3.446 10.813 1.00 0.00 N ATOM 755 CA ARG A 50 8.125 -3.040 12.139 1.00 0.00 C ATOM 756 C ARG A 50 7.855 -1.553 12.372 1.00 0.00 C ATOM 757 O ARG A 50 7.827 -1.081 13.491 1.00 0.00 O ATOM 758 CB ARG A 50 9.628 -3.307 12.065 1.00 0.00 C ATOM 759 CG ARG A 50 9.932 -4.678 12.670 1.00 0.00 C ATOM 760 CD ARG A 50 9.148 -5.755 11.915 1.00 0.00 C ATOM 761 NE ARG A 50 9.087 -6.913 12.850 1.00 0.00 N ATOM 762 CZ ARG A 50 8.526 -8.028 12.471 1.00 0.00 C ATOM 763 NH1 ARG A 50 8.889 -8.595 11.354 1.00 0.00 N ATOM 764 NH2 ARG A 50 7.602 -8.578 13.212 1.00 0.00 N ATOM 0 H ARG A 50 8.251 -3.355 10.038 1.00 0.00 H new ATOM 0 HA ARG A 50 7.658 -3.585 12.959 1.00 0.00 H new ATOM 0 HB2 ARG A 50 9.964 -3.272 11.029 1.00 0.00 H new ATOM 0 HB3 ARG A 50 10.173 -2.531 12.603 1.00 0.00 H new ATOM 0 HG2 ARG A 50 11.001 -4.884 12.612 1.00 0.00 H new ATOM 0 HG3 ARG A 50 9.662 -4.689 13.726 1.00 0.00 H new ATOM 0 HD2 ARG A 50 8.149 -5.406 11.653 1.00 0.00 H new ATOM 0 HD3 ARG A 50 9.645 -6.025 10.984 1.00 0.00 H new ATOM 0 HE ARG A 50 9.484 -6.834 13.786 1.00 0.00 H new ATOM 0 HH11 ARG A 50 9.612 -8.167 10.776 1.00 0.00 H new ATOM 0 HH12 ARG A 50 8.450 -9.467 11.058 1.00 0.00 H new ATOM 0 HH21 ARG A 50 7.319 -8.136 14.087 1.00 0.00 H new ATOM 0 HH22 ARG A 50 7.163 -9.450 12.916 1.00 0.00 H new ATOM 778 N LYS A 51 7.659 -0.813 11.317 1.00 0.00 N ATOM 779 CA LYS A 51 7.393 0.645 11.464 1.00 0.00 C ATOM 780 C LYS A 51 6.163 0.877 12.347 1.00 0.00 C ATOM 781 O LYS A 51 6.104 1.827 13.100 1.00 0.00 O ATOM 782 CB LYS A 51 7.136 1.134 10.037 1.00 0.00 C ATOM 783 CG LYS A 51 6.646 2.583 10.067 1.00 0.00 C ATOM 784 CD LYS A 51 7.839 3.524 10.244 1.00 0.00 C ATOM 785 CE LYS A 51 8.244 4.101 8.885 1.00 0.00 C ATOM 786 NZ LYS A 51 8.822 5.439 9.191 1.00 0.00 N ATOM 0 H LYS A 51 7.672 -1.156 10.356 1.00 0.00 H new ATOM 0 HA LYS A 51 8.219 1.175 11.938 1.00 0.00 H new ATOM 0 HB2 LYS A 51 8.050 1.062 9.448 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.394 0.499 9.553 1.00 0.00 H new ATOM 0 HG2 LYS A 51 6.118 2.818 9.143 1.00 0.00 H new ATOM 0 HG3 LYS A 51 5.937 2.721 10.883 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.580 4.330 10.930 1.00 0.00 H new ATOM 0 HD3 LYS A 51 8.677 2.986 10.686 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.972 3.461 8.386 1.00 0.00 H new ATOM 0 HE3 LYS A 51 7.385 4.185 8.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 9.123 5.897 8.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 8.104 6.028 9.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 9.643 5.327 9.820 1.00 0.00 H new ATOM 800 N GLY A 52 5.181 0.018 12.259 1.00 0.00 N ATOM 801 CA GLY A 52 3.958 0.199 13.095 1.00 0.00 C ATOM 802 C GLY A 52 3.553 1.673 13.076 1.00 0.00 C ATOM 803 O GLY A 52 2.967 2.182 14.011 1.00 0.00 O ATOM 0 H GLY A 52 5.173 -0.798 11.647 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.146 -0.419 12.712 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.150 -0.125 14.118 1.00 0.00 H new ATOM 807 N GLN A 53 3.871 2.364 12.016 1.00 0.00 N ATOM 808 CA GLN A 53 3.517 3.810 11.932 1.00 0.00 C ATOM 809 C GLN A 53 3.135 4.193 10.499 1.00 0.00 C ATOM 810 O GLN A 53 2.329 5.076 10.284 1.00 0.00 O ATOM 811 CB GLN A 53 4.783 4.555 12.364 1.00 0.00 C ATOM 812 CG GLN A 53 4.525 5.251 13.700 1.00 0.00 C ATOM 813 CD GLN A 53 5.111 6.666 13.667 1.00 0.00 C ATOM 814 OE1 GLN A 53 6.295 6.849 13.867 1.00 0.00 O ATOM 815 NE2 GLN A 53 4.326 7.680 13.426 1.00 0.00 N ATOM 0 H GLN A 53 4.361 1.990 11.203 1.00 0.00 H new ATOM 0 HA GLN A 53 2.660 4.055 12.560 1.00 0.00 H new ATOM 0 HB2 GLN A 53 5.615 3.858 12.458 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.065 5.287 11.607 1.00 0.00 H new ATOM 0 HG2 GLN A 53 3.454 5.295 13.897 1.00 0.00 H new ATOM 0 HG3 GLN A 53 4.975 4.679 14.512 1.00 0.00 H new ATOM 0 HE21 GLN A 53 3.332 7.527 13.258 1.00 0.00 H new ATOM 0 HE22 GLN A 53 4.707 8.626 13.406 1.00 0.00 H new ATOM 824 N PHE A 54 3.705 3.547 9.516 1.00 0.00 N ATOM 825 CA PHE A 54 3.361 3.898 8.111 1.00 0.00 C ATOM 826 C PHE A 54 1.843 3.966 7.947 1.00 0.00 C ATOM 827 O PHE A 54 1.097 3.711 8.871 1.00 0.00 O ATOM 828 CB PHE A 54 3.957 2.785 7.244 1.00 0.00 C ATOM 829 CG PHE A 54 3.133 1.524 7.378 1.00 0.00 C ATOM 830 CD1 PHE A 54 3.382 0.637 8.430 1.00 0.00 C ATOM 831 CD2 PHE A 54 2.125 1.238 6.449 1.00 0.00 C ATOM 832 CE1 PHE A 54 2.625 -0.533 8.556 1.00 0.00 C ATOM 833 CE2 PHE A 54 1.367 0.069 6.575 1.00 0.00 C ATOM 834 CZ PHE A 54 1.617 -0.817 7.629 1.00 0.00 C ATOM 0 H PHE A 54 4.388 2.798 9.626 1.00 0.00 H new ATOM 0 HA PHE A 54 3.757 4.872 7.824 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.985 3.101 6.201 1.00 0.00 H new ATOM 0 HB3 PHE A 54 4.986 2.590 7.546 1.00 0.00 H new ATOM 0 HD1 PHE A 54 4.160 0.855 9.147 1.00 0.00 H new ATOM 0 HD2 PHE A 54 1.933 1.921 5.634 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.819 -1.217 9.369 1.00 0.00 H new ATOM 0 HE2 PHE A 54 0.589 -0.150 5.859 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.032 -1.720 7.727 1.00 0.00 H new ATOM 844 N ASP A 55 1.376 4.327 6.788 1.00 0.00 N ATOM 845 CA ASP A 55 -0.094 4.430 6.590 1.00 0.00 C ATOM 846 C ASP A 55 -0.635 3.260 5.766 1.00 0.00 C ATOM 847 O ASP A 55 -1.745 2.814 5.980 1.00 0.00 O ATOM 848 CB ASP A 55 -0.297 5.744 5.841 1.00 0.00 C ATOM 849 CG ASP A 55 -1.347 6.581 6.571 1.00 0.00 C ATOM 850 OD1 ASP A 55 -0.990 7.224 7.544 1.00 0.00 O ATOM 851 OD2 ASP A 55 -2.490 6.568 6.144 1.00 0.00 O ATOM 0 H ASP A 55 1.945 4.554 5.972 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.626 4.401 7.541 1.00 0.00 H new ATOM 0 HB2 ASP A 55 0.644 6.291 5.780 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -0.618 5.548 4.818 1.00 0.00 H new ATOM 856 N ILE A 56 0.108 2.770 4.810 1.00 0.00 N ATOM 857 CA ILE A 56 -0.434 1.651 3.987 1.00 0.00 C ATOM 858 C ILE A 56 0.645 0.629 3.597 1.00 0.00 C ATOM 859 O ILE A 56 1.828 0.875 3.732 1.00 0.00 O ATOM 860 CB ILE A 56 -1.020 2.354 2.767 1.00 0.00 C ATOM 861 CG1 ILE A 56 -2.272 3.113 3.209 1.00 0.00 C ATOM 862 CG2 ILE A 56 -1.387 1.324 1.700 1.00 0.00 C ATOM 863 CD1 ILE A 56 -3.266 2.117 3.787 1.00 0.00 C ATOM 0 H ILE A 56 1.046 3.087 4.567 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.171 1.060 4.530 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.290 3.045 2.345 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.014 3.866 3.954 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.713 3.640 2.363 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.805 1.833 0.831 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.494 0.774 1.403 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.124 0.629 2.103 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.165 2.644 4.107 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -3.528 1.381 3.027 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.818 1.611 4.642 1.00 0.00 H new ATOM 875 N ALA A 57 0.231 -0.539 3.144 1.00 0.00 N ATOM 876 CA ALA A 57 1.217 -1.604 2.785 1.00 0.00 C ATOM 877 C ALA A 57 0.711 -2.492 1.640 1.00 0.00 C ATOM 878 O ALA A 57 -0.080 -3.385 1.852 1.00 0.00 O ATOM 879 CB ALA A 57 1.288 -2.441 4.054 1.00 0.00 C ATOM 0 H ALA A 57 -0.747 -0.794 3.010 1.00 0.00 H new ATOM 0 HA ALA A 57 2.167 -1.184 2.454 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.989 -3.263 3.909 1.00 0.00 H new ATOM 0 HB2 ALA A 57 1.626 -1.818 4.882 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.300 -2.842 4.281 1.00 0.00 H new ATOM 885 N ILE A 58 1.194 -2.302 0.444 1.00 0.00 N ATOM 886 CA ILE A 58 0.749 -3.179 -0.676 1.00 0.00 C ATOM 887 C ILE A 58 1.854 -4.184 -0.992 1.00 0.00 C ATOM 888 O ILE A 58 2.976 -3.820 -1.288 1.00 0.00 O ATOM 889 CB ILE A 58 0.503 -2.238 -1.848 1.00 0.00 C ATOM 890 CG1 ILE A 58 -0.699 -1.344 -1.532 1.00 0.00 C ATOM 891 CG2 ILE A 58 0.222 -3.048 -3.113 1.00 0.00 C ATOM 892 CD1 ILE A 58 -0.211 -0.045 -0.889 1.00 0.00 C ATOM 0 H ILE A 58 1.873 -1.583 0.194 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.149 -3.751 -0.441 1.00 0.00 H new ATOM 0 HB ILE A 58 1.387 -1.621 -2.010 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.253 -1.125 -2.445 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.384 -1.861 -0.859 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.047 -2.370 -3.948 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.079 -3.684 -3.336 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.660 -3.669 -2.959 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.066 0.593 -0.663 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.324 -0.274 0.033 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.457 0.473 -1.577 1.00 0.00 H new ATOM 904 N ILE A 59 1.554 -5.445 -0.901 1.00 0.00 N ATOM 905 CA ILE A 59 2.593 -6.480 -1.164 1.00 0.00 C ATOM 906 C ILE A 59 1.989 -7.630 -1.969 1.00 0.00 C ATOM 907 O ILE A 59 1.592 -8.621 -1.409 1.00 0.00 O ATOM 908 CB ILE A 59 3.014 -7.013 0.217 1.00 0.00 C ATOM 909 CG1 ILE A 59 2.642 -6.030 1.339 1.00 0.00 C ATOM 910 CG2 ILE A 59 4.516 -7.234 0.233 1.00 0.00 C ATOM 911 CD1 ILE A 59 3.480 -4.758 1.210 1.00 0.00 C ATOM 0 H ILE A 59 0.633 -5.808 -0.655 1.00 0.00 H new ATOM 0 HA ILE A 59 3.432 -6.066 -1.724 1.00 0.00 H new ATOM 0 HB ILE A 59 2.486 -7.950 0.392 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.581 -5.785 1.284 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.812 -6.492 2.311 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.818 -7.612 1.210 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.785 -7.959 -0.535 1.00 0.00 H new ATOM 0 HG23 ILE A 59 5.025 -6.290 0.036 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.213 -4.064 2.007 1.00 0.00 H new ATOM 0 HD12 ILE A 59 4.538 -5.010 1.287 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.287 -4.292 0.244 1.00 0.00 H new ATOM 923 N ASP A 60 1.908 -7.514 -3.264 1.00 0.00 N ATOM 924 CA ASP A 60 1.296 -8.626 -4.070 1.00 0.00 C ATOM 925 C ASP A 60 1.662 -9.996 -3.475 1.00 0.00 C ATOM 926 O ASP A 60 2.817 -10.350 -3.365 1.00 0.00 O ATOM 927 CB ASP A 60 1.857 -8.455 -5.485 1.00 0.00 C ATOM 928 CG ASP A 60 3.131 -9.289 -5.679 1.00 0.00 C ATOM 929 OD1 ASP A 60 3.007 -10.481 -5.911 1.00 0.00 O ATOM 930 OD2 ASP A 60 4.208 -8.722 -5.597 1.00 0.00 O ATOM 0 H ASP A 60 2.233 -6.710 -3.802 1.00 0.00 H new ATOM 0 HA ASP A 60 0.207 -8.583 -4.069 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.107 -8.756 -6.216 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.076 -7.403 -5.668 1.00 0.00 H new ATOM 935 N VAL A 61 0.674 -10.749 -3.060 1.00 0.00 N ATOM 936 CA VAL A 61 0.950 -12.079 -2.434 1.00 0.00 C ATOM 937 C VAL A 61 0.830 -13.225 -3.447 1.00 0.00 C ATOM 938 O VAL A 61 0.815 -14.383 -3.080 1.00 0.00 O ATOM 939 CB VAL A 61 -0.097 -12.197 -1.316 1.00 0.00 C ATOM 940 CG1 VAL A 61 -1.392 -12.821 -1.848 1.00 0.00 C ATOM 941 CG2 VAL A 61 0.462 -13.067 -0.191 1.00 0.00 C ATOM 0 H VAL A 61 -0.313 -10.500 -3.128 1.00 0.00 H new ATOM 0 HA VAL A 61 1.970 -12.150 -2.055 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.322 -11.199 -0.940 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.119 -12.895 -1.039 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.797 -12.196 -2.644 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.182 -13.816 -2.239 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.278 -13.153 0.604 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.695 -14.059 -0.579 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.369 -12.611 0.205 1.00 0.00 H new ATOM 951 N ASN A 62 0.757 -12.925 -4.712 1.00 0.00 N ATOM 952 CA ASN A 62 0.653 -14.023 -5.717 1.00 0.00 C ATOM 953 C ASN A 62 1.203 -13.576 -7.070 1.00 0.00 C ATOM 954 O ASN A 62 0.979 -14.212 -8.080 1.00 0.00 O ATOM 955 CB ASN A 62 -0.835 -14.333 -5.825 1.00 0.00 C ATOM 956 CG ASN A 62 -1.025 -15.836 -6.031 1.00 0.00 C ATOM 957 OD1 ASN A 62 -1.409 -16.272 -7.098 1.00 0.00 O ATOM 958 ND2 ASN A 62 -0.765 -16.654 -5.047 1.00 0.00 N ATOM 0 H ASN A 62 0.764 -11.979 -5.093 1.00 0.00 H new ATOM 0 HA ASN A 62 1.232 -14.897 -5.417 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.352 -14.010 -4.921 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -1.273 -13.782 -6.657 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -0.884 -17.659 -5.174 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -0.443 -16.288 -4.151 1.00 0.00 H new ATOM 965 N LEU A 63 1.926 -12.494 -7.101 1.00 0.00 N ATOM 966 CA LEU A 63 2.490 -12.025 -8.394 1.00 0.00 C ATOM 967 C LEU A 63 3.978 -12.357 -8.461 1.00 0.00 C ATOM 968 O LEU A 63 4.738 -12.029 -7.573 1.00 0.00 O ATOM 969 CB LEU A 63 2.267 -10.514 -8.410 1.00 0.00 C ATOM 970 CG LEU A 63 1.583 -10.124 -9.719 1.00 0.00 C ATOM 971 CD1 LEU A 63 0.171 -10.711 -9.750 1.00 0.00 C ATOM 972 CD2 LEU A 63 1.505 -8.599 -9.819 1.00 0.00 C ATOM 0 H LEU A 63 2.150 -11.916 -6.291 1.00 0.00 H new ATOM 0 HA LEU A 63 2.017 -12.505 -9.251 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.652 -10.216 -7.561 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.219 -9.992 -8.313 1.00 0.00 H new ATOM 0 HG LEU A 63 2.157 -10.514 -10.560 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.318 -10.433 -10.684 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.227 -11.797 -9.679 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.404 -10.321 -8.910 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.017 -8.320 -10.753 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.931 -8.208 -8.979 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.511 -8.181 -9.797 1.00 0.00 H new ATOM 984 N ASP A 64 4.396 -13.015 -9.509 1.00 0.00 N ATOM 985 CA ASP A 64 5.836 -13.387 -9.649 1.00 0.00 C ATOM 986 C ASP A 64 6.187 -14.539 -8.699 1.00 0.00 C ATOM 987 O ASP A 64 7.297 -15.033 -8.699 1.00 0.00 O ATOM 988 CB ASP A 64 6.627 -12.128 -9.286 1.00 0.00 C ATOM 989 CG ASP A 64 7.658 -11.838 -10.379 1.00 0.00 C ATOM 990 OD1 ASP A 64 7.914 -12.725 -11.176 1.00 0.00 O ATOM 991 OD2 ASP A 64 8.172 -10.732 -10.400 1.00 0.00 O ATOM 0 H ASP A 64 3.798 -13.313 -10.280 1.00 0.00 H new ATOM 0 HA ASP A 64 6.068 -13.727 -10.658 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.951 -11.280 -9.176 1.00 0.00 H new ATOM 0 HB3 ASP A 64 7.127 -12.264 -8.327 1.00 0.00 H new ATOM 996 N GLY A 65 5.254 -14.982 -7.895 1.00 0.00 N ATOM 997 CA GLY A 65 5.557 -16.109 -6.966 1.00 0.00 C ATOM 998 C GLY A 65 5.375 -15.665 -5.514 1.00 0.00 C ATOM 999 O GLY A 65 6.295 -15.733 -4.723 1.00 0.00 O ATOM 0 H GLY A 65 4.304 -14.615 -7.842 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.900 -16.952 -7.180 1.00 0.00 H new ATOM 0 HA3 GLY A 65 6.579 -16.453 -7.123 1.00 0.00 H new ATOM 1003 N GLU A 66 4.192 -15.227 -5.161 1.00 0.00 N ATOM 1004 CA GLU A 66 3.926 -14.786 -3.755 1.00 0.00 C ATOM 1005 C GLU A 66 5.174 -14.147 -3.142 1.00 0.00 C ATOM 1006 O GLU A 66 5.714 -14.644 -2.173 1.00 0.00 O ATOM 1007 CB GLU A 66 3.527 -16.053 -2.977 1.00 0.00 C ATOM 1008 CG GLU A 66 4.212 -17.292 -3.568 1.00 0.00 C ATOM 1009 CD GLU A 66 3.700 -18.547 -2.858 1.00 0.00 C ATOM 1010 OE1 GLU A 66 3.521 -18.491 -1.653 1.00 0.00 O ATOM 1011 OE2 GLU A 66 3.497 -19.543 -3.533 1.00 0.00 O ATOM 0 H GLU A 66 3.393 -15.155 -5.791 1.00 0.00 H new ATOM 0 HA GLU A 66 3.138 -14.034 -3.720 1.00 0.00 H new ATOM 0 HB2 GLU A 66 3.804 -15.944 -1.928 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.445 -16.180 -3.009 1.00 0.00 H new ATOM 0 HG2 GLU A 66 4.009 -17.358 -4.637 1.00 0.00 H new ATOM 0 HG3 GLU A 66 5.293 -17.212 -3.453 1.00 0.00 H new ATOM 1018 N PRO A 67 5.588 -13.061 -3.735 1.00 0.00 N ATOM 1019 CA PRO A 67 6.786 -12.337 -3.249 1.00 0.00 C ATOM 1020 C PRO A 67 6.446 -11.507 -2.009 1.00 0.00 C ATOM 1021 O PRO A 67 7.254 -10.739 -1.531 1.00 0.00 O ATOM 1022 CB PRO A 67 7.150 -11.424 -4.413 1.00 0.00 C ATOM 1023 CG PRO A 67 5.874 -11.221 -5.171 1.00 0.00 C ATOM 1024 CD PRO A 67 4.987 -12.414 -4.905 1.00 0.00 C ATOM 0 HA PRO A 67 7.597 -13.006 -2.960 1.00 0.00 H new ATOM 0 HB2 PRO A 67 7.552 -10.475 -4.058 1.00 0.00 H new ATOM 0 HB3 PRO A 67 7.914 -11.877 -5.044 1.00 0.00 H new ATOM 0 HG2 PRO A 67 5.383 -10.301 -4.854 1.00 0.00 H new ATOM 0 HG3 PRO A 67 6.074 -11.124 -6.238 1.00 0.00 H new ATOM 0 HD2 PRO A 67 3.960 -12.109 -4.706 1.00 0.00 H new ATOM 0 HD3 PRO A 67 4.960 -13.088 -5.761 1.00 0.00 H new ATOM 1032 N SER A 68 5.259 -11.648 -1.489 1.00 0.00 N ATOM 1033 CA SER A 68 4.881 -10.853 -0.285 1.00 0.00 C ATOM 1034 C SER A 68 5.381 -11.539 0.992 1.00 0.00 C ATOM 1035 O SER A 68 4.982 -11.203 2.088 1.00 0.00 O ATOM 1036 CB SER A 68 3.358 -10.787 -0.323 1.00 0.00 C ATOM 1037 OG SER A 68 2.815 -11.857 0.437 1.00 0.00 O ATOM 0 H SER A 68 4.537 -12.276 -1.842 1.00 0.00 H new ATOM 0 HA SER A 68 5.326 -9.858 -0.286 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.015 -9.833 0.077 1.00 0.00 H new ATOM 0 HB3 SER A 68 3.007 -10.845 -1.353 1.00 0.00 H new ATOM 0 HG SER A 68 2.962 -12.702 -0.037 1.00 0.00 H new ATOM 1043 N TYR A 69 6.278 -12.479 0.856 1.00 0.00 N ATOM 1044 CA TYR A 69 6.843 -13.183 2.051 1.00 0.00 C ATOM 1045 C TYR A 69 5.728 -13.599 3.022 1.00 0.00 C ATOM 1046 O TYR A 69 4.555 -13.339 2.796 1.00 0.00 O ATOM 1047 CB TYR A 69 7.829 -12.202 2.732 1.00 0.00 C ATOM 1048 CG TYR A 69 7.813 -10.848 2.056 1.00 0.00 C ATOM 1049 CD1 TYR A 69 8.530 -10.642 0.873 1.00 0.00 C ATOM 1050 CD2 TYR A 69 7.058 -9.811 2.605 1.00 0.00 C ATOM 1051 CE1 TYR A 69 8.493 -9.392 0.244 1.00 0.00 C ATOM 1052 CE2 TYR A 69 7.015 -8.563 1.978 1.00 0.00 C ATOM 1053 CZ TYR A 69 7.734 -8.352 0.794 1.00 0.00 C ATOM 1054 OH TYR A 69 7.691 -7.122 0.170 1.00 0.00 O ATOM 0 H TYR A 69 6.649 -12.794 -0.040 1.00 0.00 H new ATOM 0 HA TYR A 69 7.355 -14.097 1.750 1.00 0.00 H new ATOM 0 HB2 TYR A 69 7.565 -12.089 3.783 1.00 0.00 H new ATOM 0 HB3 TYR A 69 8.837 -12.615 2.699 1.00 0.00 H new ATOM 0 HD1 TYR A 69 9.111 -11.446 0.446 1.00 0.00 H new ATOM 0 HD2 TYR A 69 6.505 -9.974 3.518 1.00 0.00 H new ATOM 0 HE1 TYR A 69 9.051 -9.230 -0.667 1.00 0.00 H new ATOM 0 HE2 TYR A 69 6.429 -7.763 2.405 1.00 0.00 H new ATOM 0 HH TYR A 69 7.802 -7.241 -0.796 1.00 0.00 H new ATOM 1064 N PRO A 70 6.138 -14.258 4.071 1.00 0.00 N ATOM 1065 CA PRO A 70 5.177 -14.749 5.082 1.00 0.00 C ATOM 1066 C PRO A 70 4.597 -13.598 5.907 1.00 0.00 C ATOM 1067 O PRO A 70 3.811 -13.817 6.805 1.00 0.00 O ATOM 1068 CB PRO A 70 6.015 -15.681 5.954 1.00 0.00 C ATOM 1069 CG PRO A 70 7.423 -15.211 5.786 1.00 0.00 C ATOM 1070 CD PRO A 70 7.524 -14.606 4.410 1.00 0.00 C ATOM 0 HA PRO A 70 4.317 -15.246 4.634 1.00 0.00 H new ATOM 0 HB2 PRO A 70 5.704 -15.630 6.998 1.00 0.00 H new ATOM 0 HB3 PRO A 70 5.906 -16.719 5.640 1.00 0.00 H new ATOM 0 HG2 PRO A 70 7.678 -14.477 6.550 1.00 0.00 H new ATOM 0 HG3 PRO A 70 8.122 -16.040 5.895 1.00 0.00 H new ATOM 0 HD2 PRO A 70 8.168 -13.727 4.407 1.00 0.00 H new ATOM 0 HD3 PRO A 70 7.945 -15.312 3.694 1.00 0.00 H new ATOM 1078 N VAL A 71 4.952 -12.372 5.622 1.00 0.00 N ATOM 1079 CA VAL A 71 4.364 -11.269 6.426 1.00 0.00 C ATOM 1080 C VAL A 71 3.123 -10.729 5.713 1.00 0.00 C ATOM 1081 O VAL A 71 2.036 -10.783 6.251 1.00 0.00 O ATOM 1082 CB VAL A 71 5.463 -10.195 6.646 1.00 0.00 C ATOM 1083 CG1 VAL A 71 6.853 -10.780 6.371 1.00 0.00 C ATOM 1084 CG2 VAL A 71 5.239 -8.981 5.736 1.00 0.00 C ATOM 0 H VAL A 71 5.605 -12.095 4.889 1.00 0.00 H new ATOM 0 HA VAL A 71 4.033 -11.612 7.406 1.00 0.00 H new ATOM 0 HB VAL A 71 5.403 -9.874 7.686 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.609 -10.011 6.531 1.00 0.00 H new ATOM 0 HG12 VAL A 71 7.036 -11.616 7.047 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.903 -11.130 5.340 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.024 -8.245 5.912 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.266 -9.298 4.693 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.268 -8.536 5.955 1.00 0.00 H new ATOM 1094 N ALA A 72 3.247 -10.261 4.494 1.00 0.00 N ATOM 1095 CA ALA A 72 2.026 -9.800 3.769 1.00 0.00 C ATOM 1096 C ALA A 72 0.968 -10.871 3.958 1.00 0.00 C ATOM 1097 O ALA A 72 -0.194 -10.606 4.191 1.00 0.00 O ATOM 1098 CB ALA A 72 2.442 -9.747 2.314 1.00 0.00 C ATOM 0 H ALA A 72 4.124 -10.180 3.979 1.00 0.00 H new ATOM 0 HA ALA A 72 1.639 -8.841 4.112 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.600 -9.416 1.707 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.270 -9.048 2.198 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.756 -10.739 1.989 1.00 0.00 H new ATOM 1104 N ASP A 73 1.405 -12.095 3.890 1.00 0.00 N ATOM 1105 CA ASP A 73 0.489 -13.238 4.097 1.00 0.00 C ATOM 1106 C ASP A 73 -0.212 -13.089 5.440 1.00 0.00 C ATOM 1107 O ASP A 73 -1.421 -13.143 5.545 1.00 0.00 O ATOM 1108 CB ASP A 73 1.425 -14.425 4.161 1.00 0.00 C ATOM 1109 CG ASP A 73 1.673 -14.972 2.754 1.00 0.00 C ATOM 1110 OD1 ASP A 73 0.742 -15.505 2.174 1.00 0.00 O ATOM 1111 OD2 ASP A 73 2.791 -14.849 2.281 1.00 0.00 O ATOM 0 H ASP A 73 2.373 -12.351 3.697 1.00 0.00 H new ATOM 0 HA ASP A 73 -0.276 -13.323 3.325 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.370 -14.129 4.617 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.996 -15.203 4.792 1.00 0.00 H new ATOM 1116 N ILE A 74 0.567 -12.909 6.467 1.00 0.00 N ATOM 1117 CA ILE A 74 0.000 -12.760 7.832 1.00 0.00 C ATOM 1118 C ILE A 74 -0.705 -11.413 7.958 1.00 0.00 C ATOM 1119 O ILE A 74 -1.772 -11.309 8.531 1.00 0.00 O ATOM 1120 CB ILE A 74 1.206 -12.827 8.769 1.00 0.00 C ATOM 1121 CG1 ILE A 74 1.822 -14.226 8.705 1.00 0.00 C ATOM 1122 CG2 ILE A 74 0.755 -12.539 10.201 1.00 0.00 C ATOM 1123 CD1 ILE A 74 3.119 -14.251 9.518 1.00 0.00 C ATOM 0 H ILE A 74 1.585 -12.858 6.417 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.737 -13.529 8.064 1.00 0.00 H new ATOM 0 HB ILE A 74 1.945 -12.087 8.463 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.120 -14.962 9.097 1.00 0.00 H new ATOM 0 HG13 ILE A 74 2.024 -14.499 7.669 1.00 0.00 H new ATOM 0 HG21 ILE A 74 1.614 -12.587 10.870 1.00 0.00 H new ATOM 0 HG22 ILE A 74 0.312 -11.544 10.250 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.017 -13.280 10.506 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.558 -15.248 9.472 1.00 0.00 H new ATOM 0 HD12 ILE A 74 3.821 -13.526 9.106 1.00 0.00 H new ATOM 0 HD13 ILE A 74 2.903 -13.997 10.556 1.00 0.00 H new ATOM 1135 N LEU A 75 -0.123 -10.381 7.418 1.00 0.00 N ATOM 1136 CA LEU A 75 -0.771 -9.048 7.500 1.00 0.00 C ATOM 1137 C LEU A 75 -2.199 -9.154 6.968 1.00 0.00 C ATOM 1138 O LEU A 75 -3.052 -8.343 7.266 1.00 0.00 O ATOM 1139 CB LEU A 75 0.080 -8.143 6.610 1.00 0.00 C ATOM 1140 CG LEU A 75 -0.101 -6.690 7.046 1.00 0.00 C ATOM 1141 CD1 LEU A 75 0.526 -6.493 8.427 1.00 0.00 C ATOM 1142 CD2 LEU A 75 0.585 -5.765 6.040 1.00 0.00 C ATOM 0 H LEU A 75 0.770 -10.404 6.926 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.831 -8.661 8.517 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.130 -8.428 6.681 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.213 -8.261 5.567 1.00 0.00 H new ATOM 0 HG LEU A 75 -1.164 -6.454 7.090 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.398 -5.457 8.740 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.038 -7.152 9.145 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.589 -6.730 8.381 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.455 -4.729 6.352 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.648 -6.000 5.996 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.141 -5.906 5.055 1.00 0.00 H new ATOM 1154 N ALA A 76 -2.458 -10.161 6.180 1.00 0.00 N ATOM 1155 CA ALA A 76 -3.816 -10.348 5.617 1.00 0.00 C ATOM 1156 C ALA A 76 -4.643 -11.258 6.530 1.00 0.00 C ATOM 1157 O ALA A 76 -5.854 -11.177 6.571 1.00 0.00 O ATOM 1158 CB ALA A 76 -3.579 -11.012 4.259 1.00 0.00 C ATOM 0 H ALA A 76 -1.777 -10.867 5.902 1.00 0.00 H new ATOM 0 HA ALA A 76 -4.367 -9.412 5.525 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -4.536 -11.189 3.768 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -2.967 -10.359 3.637 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -3.064 -11.962 4.403 1.00 0.00 H new ATOM 1164 N GLU A 77 -3.996 -12.126 7.260 1.00 0.00 N ATOM 1165 CA GLU A 77 -4.743 -13.042 8.167 1.00 0.00 C ATOM 1166 C GLU A 77 -5.540 -12.234 9.201 1.00 0.00 C ATOM 1167 O GLU A 77 -6.654 -12.577 9.545 1.00 0.00 O ATOM 1168 CB GLU A 77 -3.660 -13.915 8.826 1.00 0.00 C ATOM 1169 CG GLU A 77 -3.299 -13.390 10.224 1.00 0.00 C ATOM 1170 CD GLU A 77 -2.241 -14.301 10.853 1.00 0.00 C ATOM 1171 OE1 GLU A 77 -1.343 -14.713 10.137 1.00 0.00 O ATOM 1172 OE2 GLU A 77 -2.347 -14.571 12.038 1.00 0.00 O ATOM 0 H GLU A 77 -2.982 -12.240 7.267 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.475 -13.655 7.641 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -4.014 -14.943 8.901 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -2.769 -13.929 8.199 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -2.921 -12.370 10.155 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -4.188 -13.359 10.853 1.00 0.00 H new ATOM 1179 N ARG A 78 -4.979 -11.164 9.698 1.00 0.00 N ATOM 1180 CA ARG A 78 -5.705 -10.343 10.702 1.00 0.00 C ATOM 1181 C ARG A 78 -6.068 -8.976 10.111 1.00 0.00 C ATOM 1182 O ARG A 78 -7.044 -8.365 10.494 1.00 0.00 O ATOM 1183 CB ARG A 78 -4.738 -10.195 11.884 1.00 0.00 C ATOM 1184 CG ARG A 78 -3.545 -9.318 11.483 1.00 0.00 C ATOM 1185 CD ARG A 78 -2.905 -8.694 12.733 1.00 0.00 C ATOM 1186 NE ARG A 78 -2.953 -9.756 13.780 1.00 0.00 N ATOM 1187 CZ ARG A 78 -3.748 -9.636 14.810 1.00 0.00 C ATOM 1188 NH1 ARG A 78 -4.799 -8.862 14.748 1.00 0.00 N ATOM 1189 NH2 ARG A 78 -3.489 -10.292 15.908 1.00 0.00 N ATOM 0 H ARG A 78 -4.049 -10.825 9.450 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.642 -10.806 11.011 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -5.256 -9.751 12.734 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -4.387 -11.177 12.202 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.808 -9.916 10.947 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -3.874 -8.533 10.802 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -1.879 -8.385 12.535 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -3.450 -7.805 13.051 1.00 0.00 H new ATOM 0 HE ARG A 78 -2.361 -10.582 13.691 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -5.003 -8.347 13.892 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -5.415 -8.773 15.556 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -2.668 -10.896 15.960 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -4.107 -10.201 16.714 1.00 0.00 H new ATOM 1203 N ASN A 79 -5.295 -8.501 9.172 1.00 0.00 N ATOM 1204 CA ASN A 79 -5.590 -7.184 8.546 1.00 0.00 C ATOM 1205 C ASN A 79 -5.643 -6.073 9.604 1.00 0.00 C ATOM 1206 O ASN A 79 -6.301 -6.185 10.619 1.00 0.00 O ATOM 1207 CB ASN A 79 -6.946 -7.359 7.870 1.00 0.00 C ATOM 1208 CG ASN A 79 -6.993 -8.698 7.132 1.00 0.00 C ATOM 1209 OD1 ASN A 79 -7.619 -9.634 7.588 1.00 0.00 O ATOM 1210 ND2 ASN A 79 -6.358 -8.827 6.000 1.00 0.00 N ATOM 0 H ASN A 79 -4.467 -8.974 8.811 1.00 0.00 H new ATOM 0 HA ASN A 79 -4.817 -6.890 7.836 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -7.741 -7.316 8.614 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -7.121 -6.542 7.170 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -6.387 -9.714 5.497 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -5.833 -8.041 5.618 1.00 0.00 H new ATOM 1217 N VAL A 80 -4.947 -5.000 9.360 1.00 0.00 N ATOM 1218 CA VAL A 80 -4.927 -3.855 10.325 1.00 0.00 C ATOM 1219 C VAL A 80 -5.084 -2.559 9.518 1.00 0.00 C ATOM 1220 O VAL A 80 -5.388 -2.628 8.345 1.00 0.00 O ATOM 1221 CB VAL A 80 -3.549 -3.923 11.021 1.00 0.00 C ATOM 1222 CG1 VAL A 80 -3.757 -4.021 12.533 1.00 0.00 C ATOM 1223 CG2 VAL A 80 -2.747 -5.151 10.556 1.00 0.00 C ATOM 0 H VAL A 80 -4.382 -4.861 8.523 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.726 -3.892 11.066 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.992 -3.023 10.761 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.789 -4.069 13.031 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -4.302 -3.144 12.883 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.329 -4.920 12.764 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -1.783 -5.170 11.064 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.301 -6.059 10.795 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.588 -5.096 9.479 1.00 0.00 H new ATOM 1233 N PRO A 81 -4.862 -1.408 10.118 1.00 0.00 N ATOM 1234 CA PRO A 81 -4.985 -0.154 9.333 1.00 0.00 C ATOM 1235 C PRO A 81 -3.940 -0.177 8.226 1.00 0.00 C ATOM 1236 O PRO A 81 -2.752 -0.187 8.481 1.00 0.00 O ATOM 1237 CB PRO A 81 -4.737 0.948 10.350 1.00 0.00 C ATOM 1238 CG PRO A 81 -3.964 0.282 11.440 1.00 0.00 C ATOM 1239 CD PRO A 81 -4.480 -1.135 11.512 1.00 0.00 C ATOM 0 HA PRO A 81 -5.950 -0.015 8.846 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -4.176 1.773 9.912 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -5.674 1.362 10.723 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -2.895 0.297 11.226 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -4.106 0.797 12.390 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -3.716 -1.827 11.866 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.329 -1.223 12.190 1.00 0.00 H new ATOM 1247 N PHE A 82 -4.384 -0.227 7.001 1.00 0.00 N ATOM 1248 CA PHE A 82 -3.437 -0.313 5.858 1.00 0.00 C ATOM 1249 C PHE A 82 -4.188 -0.495 4.540 1.00 0.00 C ATOM 1250 O PHE A 82 -5.303 -0.048 4.360 1.00 0.00 O ATOM 1251 CB PHE A 82 -2.623 -1.589 6.128 1.00 0.00 C ATOM 1252 CG PHE A 82 -3.461 -2.837 5.843 1.00 0.00 C ATOM 1253 CD1 PHE A 82 -4.869 -2.788 5.848 1.00 0.00 C ATOM 1254 CD2 PHE A 82 -2.817 -4.054 5.590 1.00 0.00 C ATOM 1255 CE1 PHE A 82 -5.616 -3.948 5.604 1.00 0.00 C ATOM 1256 CE2 PHE A 82 -3.569 -5.212 5.343 1.00 0.00 C ATOM 1257 CZ PHE A 82 -4.966 -5.157 5.353 1.00 0.00 C ATOM 0 H PHE A 82 -5.371 -0.212 6.742 1.00 0.00 H new ATOM 0 HA PHE A 82 -2.831 0.589 5.775 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.729 -1.595 5.504 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.288 -1.599 7.165 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -5.374 -1.853 6.041 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -1.738 -4.101 5.585 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -6.695 -3.906 5.610 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -3.068 -6.148 5.145 1.00 0.00 H new ATOM 0 HZ PHE A 82 -5.543 -6.051 5.166 1.00 0.00 H new ATOM 1267 N ILE A 83 -3.564 -1.201 3.641 1.00 0.00 N ATOM 1268 CA ILE A 83 -4.175 -1.507 2.331 1.00 0.00 C ATOM 1269 C ILE A 83 -3.291 -2.535 1.646 1.00 0.00 C ATOM 1270 O ILE A 83 -2.088 -2.476 1.752 1.00 0.00 O ATOM 1271 CB ILE A 83 -4.217 -0.182 1.579 1.00 0.00 C ATOM 1272 CG1 ILE A 83 -5.651 0.342 1.559 1.00 0.00 C ATOM 1273 CG2 ILE A 83 -3.726 -0.353 0.134 1.00 0.00 C ATOM 1274 CD1 ILE A 83 -5.629 1.869 1.480 1.00 0.00 C ATOM 0 H ILE A 83 -2.629 -1.587 3.769 1.00 0.00 H new ATOM 0 HA ILE A 83 -5.181 -1.922 2.391 1.00 0.00 H new ATOM 0 HB ILE A 83 -3.562 0.524 2.089 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -6.189 -0.070 0.706 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -6.181 0.020 2.456 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -3.766 0.607 -0.380 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.699 -0.719 0.139 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -4.364 -1.069 -0.385 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -6.651 2.247 1.465 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -5.106 2.271 2.348 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -5.114 2.179 0.570 1.00 0.00 H new ATOM 1286 N PHE A 84 -3.862 -3.482 0.972 1.00 0.00 N ATOM 1287 CA PHE A 84 -3.020 -4.519 0.325 1.00 0.00 C ATOM 1288 C PHE A 84 -3.720 -5.109 -0.882 1.00 0.00 C ATOM 1289 O PHE A 84 -4.931 -5.182 -0.948 1.00 0.00 O ATOM 1290 CB PHE A 84 -2.881 -5.574 1.401 1.00 0.00 C ATOM 1291 CG PHE A 84 -1.962 -6.693 0.960 1.00 0.00 C ATOM 1292 CD1 PHE A 84 -2.403 -7.615 0.003 1.00 0.00 C ATOM 1293 CD2 PHE A 84 -0.684 -6.831 1.524 1.00 0.00 C ATOM 1294 CE1 PHE A 84 -1.579 -8.669 -0.392 1.00 0.00 C ATOM 1295 CE2 PHE A 84 0.139 -7.885 1.123 1.00 0.00 C ATOM 1296 CZ PHE A 84 -0.310 -8.805 0.167 1.00 0.00 C ATOM 0 H PHE A 84 -4.868 -3.586 0.840 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.068 -4.125 -0.031 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -2.492 -5.118 2.311 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -3.863 -5.981 1.643 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -3.386 -7.510 -0.432 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.339 -6.125 2.265 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -1.924 -9.378 -1.130 1.00 0.00 H new ATOM 0 HE2 PHE A 84 1.125 -7.991 1.551 1.00 0.00 H new ATOM 0 HZ PHE A 84 0.329 -9.621 -0.137 1.00 0.00 H new ATOM 1306 N ALA A 85 -2.971 -5.555 -1.827 1.00 0.00 N ATOM 1307 CA ALA A 85 -3.604 -6.160 -3.012 1.00 0.00 C ATOM 1308 C ALA A 85 -2.864 -7.441 -3.393 1.00 0.00 C ATOM 1309 O ALA A 85 -1.731 -7.650 -3.004 1.00 0.00 O ATOM 1310 CB ALA A 85 -3.489 -5.108 -4.113 1.00 0.00 C ATOM 0 H ALA A 85 -1.951 -5.529 -1.834 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.644 -6.434 -2.837 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -3.941 -5.489 -5.029 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -4.006 -4.200 -3.804 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -2.438 -4.883 -4.293 1.00 0.00 H new ATOM 1316 N THR A 86 -3.487 -8.302 -4.146 1.00 0.00 N ATOM 1317 CA THR A 86 -2.803 -9.567 -4.539 1.00 0.00 C ATOM 1318 C THR A 86 -3.397 -10.116 -5.837 1.00 0.00 C ATOM 1319 O THR A 86 -4.424 -9.663 -6.302 1.00 0.00 O ATOM 1320 CB THR A 86 -3.060 -10.553 -3.393 1.00 0.00 C ATOM 1321 OG1 THR A 86 -2.993 -11.879 -3.898 1.00 0.00 O ATOM 1322 CG2 THR A 86 -4.446 -10.313 -2.788 1.00 0.00 C ATOM 0 H THR A 86 -4.435 -8.187 -4.505 1.00 0.00 H new ATOM 0 HA THR A 86 -1.738 -9.406 -4.709 1.00 0.00 H new ATOM 0 HB THR A 86 -2.306 -10.407 -2.620 1.00 0.00 H new ATOM 0 HG1 THR A 86 -3.584 -12.459 -3.374 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.616 -11.020 -1.976 1.00 0.00 H new ATOM 0 HG22 THR A 86 -4.503 -9.295 -2.402 1.00 0.00 H new ATOM 0 HG23 THR A 86 -5.207 -10.453 -3.556 1.00 0.00 H new ATOM 1330 N GLY A 87 -2.769 -11.104 -6.417 1.00 0.00 N ATOM 1331 CA GLY A 87 -3.310 -11.694 -7.673 1.00 0.00 C ATOM 1332 C GLY A 87 -4.555 -12.511 -7.330 1.00 0.00 C ATOM 1333 O GLY A 87 -4.618 -13.703 -7.563 1.00 0.00 O ATOM 0 H GLY A 87 -1.906 -11.527 -6.075 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -3.558 -10.907 -8.385 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -2.560 -12.328 -8.147 1.00 0.00 H new ATOM 1337 N TYR A 88 -5.543 -11.876 -6.763 1.00 0.00 N ATOM 1338 CA TYR A 88 -6.787 -12.601 -6.384 1.00 0.00 C ATOM 1339 C TYR A 88 -7.917 -11.593 -6.139 1.00 0.00 C ATOM 1340 O TYR A 88 -9.009 -11.734 -6.656 1.00 0.00 O ATOM 1341 CB TYR A 88 -6.414 -13.357 -5.101 1.00 0.00 C ATOM 1342 CG TYR A 88 -7.631 -13.546 -4.224 1.00 0.00 C ATOM 1343 CD1 TYR A 88 -8.854 -13.911 -4.797 1.00 0.00 C ATOM 1344 CD2 TYR A 88 -7.535 -13.356 -2.841 1.00 0.00 C ATOM 1345 CE1 TYR A 88 -9.981 -14.087 -3.987 1.00 0.00 C ATOM 1346 CE2 TYR A 88 -8.662 -13.531 -2.031 1.00 0.00 C ATOM 1347 CZ TYR A 88 -9.886 -13.897 -2.604 1.00 0.00 C ATOM 1348 OH TYR A 88 -10.997 -14.074 -1.805 1.00 0.00 O ATOM 0 H TYR A 88 -5.541 -10.880 -6.545 1.00 0.00 H new ATOM 0 HA TYR A 88 -7.144 -13.281 -7.157 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -5.987 -14.327 -5.355 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -5.648 -12.805 -4.556 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -8.928 -14.057 -5.865 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -6.591 -13.074 -2.399 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -10.925 -14.370 -4.429 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -8.588 -13.384 -0.964 1.00 0.00 H new ATOM 0 HH TYR A 88 -10.738 -14.540 -0.983 1.00 0.00 H new ATOM 1358 N GLY A 89 -7.663 -10.571 -5.365 1.00 0.00 N ATOM 1359 CA GLY A 89 -8.726 -9.557 -5.110 1.00 0.00 C ATOM 1360 C GLY A 89 -9.026 -9.458 -3.613 1.00 0.00 C ATOM 1361 O GLY A 89 -10.133 -9.150 -3.220 1.00 0.00 O ATOM 0 H GLY A 89 -6.771 -10.396 -4.901 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -8.408 -8.585 -5.488 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -9.632 -9.828 -5.651 1.00 0.00 H new ATOM 1365 N SER A 90 -8.050 -9.700 -2.779 1.00 0.00 N ATOM 1366 CA SER A 90 -8.276 -9.606 -1.304 1.00 0.00 C ATOM 1367 C SER A 90 -9.425 -10.522 -0.864 1.00 0.00 C ATOM 1368 O SER A 90 -10.490 -10.528 -1.446 1.00 0.00 O ATOM 1369 CB SER A 90 -8.629 -8.142 -1.052 1.00 0.00 C ATOM 1370 OG SER A 90 -7.816 -7.317 -1.874 1.00 0.00 O ATOM 0 H SER A 90 -7.103 -9.960 -3.055 1.00 0.00 H new ATOM 0 HA SER A 90 -7.399 -9.922 -0.739 1.00 0.00 H new ATOM 0 HB2 SER A 90 -9.683 -7.967 -1.270 1.00 0.00 H new ATOM 0 HB3 SER A 90 -8.475 -7.894 -0.002 1.00 0.00 H new ATOM 0 HG SER A 90 -7.284 -6.717 -1.311 1.00 0.00 H new ATOM 1376 N LYS A 91 -9.220 -11.295 0.167 1.00 0.00 N ATOM 1377 CA LYS A 91 -10.300 -12.202 0.643 1.00 0.00 C ATOM 1378 C LYS A 91 -11.255 -11.452 1.582 1.00 0.00 C ATOM 1379 O LYS A 91 -11.794 -12.019 2.511 1.00 0.00 O ATOM 1380 CB LYS A 91 -9.576 -13.315 1.404 1.00 0.00 C ATOM 1381 CG LYS A 91 -9.142 -12.797 2.776 1.00 0.00 C ATOM 1382 CD LYS A 91 -8.157 -13.782 3.408 1.00 0.00 C ATOM 1383 CE LYS A 91 -7.402 -13.085 4.539 1.00 0.00 C ATOM 1384 NZ LYS A 91 -7.067 -14.170 5.503 1.00 0.00 N ATOM 0 H LYS A 91 -8.351 -11.337 0.700 1.00 0.00 H new ATOM 0 HA LYS A 91 -10.901 -12.589 -0.180 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -10.233 -14.177 1.520 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.707 -13.650 0.839 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -8.677 -11.816 2.675 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -10.012 -12.673 3.421 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -8.690 -14.651 3.793 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -7.456 -14.145 2.657 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -6.502 -12.594 4.169 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -8.015 -12.316 5.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -7.529 -13.979 6.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -7.401 -15.081 5.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -6.037 -14.208 5.638 1.00 0.00 H new ATOM 1398 N GLY A 92 -11.453 -10.182 1.363 1.00 0.00 N ATOM 1399 CA GLY A 92 -12.352 -9.407 2.260 1.00 0.00 C ATOM 1400 C GLY A 92 -11.491 -8.666 3.283 1.00 0.00 C ATOM 1401 O GLY A 92 -11.967 -8.233 4.313 1.00 0.00 O ATOM 0 H GLY A 92 -11.031 -9.649 0.603 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -12.947 -8.700 1.682 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -13.051 -10.074 2.765 1.00 0.00 H new ATOM 1405 N LEU A 93 -10.220 -8.530 2.994 1.00 0.00 N ATOM 1406 CA LEU A 93 -9.286 -7.827 3.924 1.00 0.00 C ATOM 1407 C LEU A 93 -9.995 -6.689 4.678 1.00 0.00 C ATOM 1408 O LEU A 93 -10.649 -5.843 4.103 1.00 0.00 O ATOM 1409 CB LEU A 93 -8.130 -7.326 3.035 1.00 0.00 C ATOM 1410 CG LEU A 93 -8.566 -6.196 2.081 1.00 0.00 C ATOM 1411 CD1 LEU A 93 -9.926 -6.491 1.436 1.00 0.00 C ATOM 1412 CD2 LEU A 93 -8.642 -4.883 2.853 1.00 0.00 C ATOM 0 H LEU A 93 -9.785 -8.882 2.141 1.00 0.00 H new ATOM 0 HA LEU A 93 -8.913 -8.485 4.709 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.317 -6.969 3.668 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -7.738 -8.159 2.451 1.00 0.00 H new ATOM 0 HG LEU A 93 -7.826 -6.123 1.284 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -10.199 -5.672 0.771 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -9.864 -7.417 0.865 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -10.683 -6.594 2.214 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -8.950 -4.083 2.180 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -9.368 -4.977 3.661 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -7.663 -4.649 3.270 1.00 0.00 H new ATOM 1424 N ASP A 94 -9.884 -6.691 5.980 1.00 0.00 N ATOM 1425 CA ASP A 94 -10.562 -5.646 6.808 1.00 0.00 C ATOM 1426 C ASP A 94 -9.545 -4.680 7.416 1.00 0.00 C ATOM 1427 O ASP A 94 -8.402 -5.021 7.636 1.00 0.00 O ATOM 1428 CB ASP A 94 -11.285 -6.421 7.914 1.00 0.00 C ATOM 1429 CG ASP A 94 -10.283 -7.299 8.667 1.00 0.00 C ATOM 1430 OD1 ASP A 94 -9.602 -6.776 9.535 1.00 0.00 O ATOM 1431 OD2 ASP A 94 -10.217 -8.479 8.368 1.00 0.00 O ATOM 0 H ASP A 94 -9.348 -7.377 6.511 1.00 0.00 H new ATOM 0 HA ASP A 94 -11.244 -5.042 6.210 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -11.765 -5.727 8.604 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -12.073 -7.039 7.483 1.00 0.00 H new ATOM 1436 N THR A 95 -9.959 -3.477 7.700 1.00 0.00 N ATOM 1437 CA THR A 95 -9.021 -2.492 8.303 1.00 0.00 C ATOM 1438 C THR A 95 -9.751 -1.184 8.599 1.00 0.00 C ATOM 1439 O THR A 95 -10.928 -1.043 8.332 1.00 0.00 O ATOM 1440 CB THR A 95 -7.948 -2.271 7.236 1.00 0.00 C ATOM 1441 OG1 THR A 95 -7.127 -1.178 7.611 1.00 0.00 O ATOM 1442 CG2 THR A 95 -8.611 -1.976 5.889 1.00 0.00 C ATOM 0 H THR A 95 -10.906 -3.134 7.540 1.00 0.00 H new ATOM 0 HA THR A 95 -8.599 -2.843 9.245 1.00 0.00 H new ATOM 0 HB THR A 95 -7.338 -3.170 7.146 1.00 0.00 H new ATOM 0 HG1 THR A 95 -6.202 -1.484 7.716 1.00 0.00 H new ATOM 0 HG21 THR A 95 -7.843 -1.819 5.132 1.00 0.00 H new ATOM 0 HG22 THR A 95 -9.239 -2.819 5.600 1.00 0.00 H new ATOM 0 HG23 THR A 95 -9.225 -1.079 5.974 1.00 0.00 H new ATOM 1450 N ARG A 96 -9.053 -0.215 9.120 1.00 0.00 N ATOM 1451 CA ARG A 96 -9.698 1.095 9.399 1.00 0.00 C ATOM 1452 C ARG A 96 -9.909 1.838 8.079 1.00 0.00 C ATOM 1453 O ARG A 96 -10.348 2.971 8.053 1.00 0.00 O ATOM 1454 CB ARG A 96 -8.697 1.849 10.277 1.00 0.00 C ATOM 1455 CG ARG A 96 -8.319 0.987 11.485 1.00 0.00 C ATOM 1456 CD ARG A 96 -9.568 0.705 12.325 1.00 0.00 C ATOM 1457 NE ARG A 96 -9.959 2.027 12.894 1.00 0.00 N ATOM 1458 CZ ARG A 96 -10.758 2.082 13.927 1.00 0.00 C ATOM 1459 NH1 ARG A 96 -10.330 1.719 15.106 1.00 0.00 N ATOM 1460 NH2 ARG A 96 -11.984 2.505 13.783 1.00 0.00 N ATOM 0 H ARG A 96 -8.064 -0.274 9.364 1.00 0.00 H new ATOM 0 HA ARG A 96 -10.668 0.996 9.886 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -7.805 2.095 9.700 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -9.130 2.792 10.612 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -7.874 0.050 11.151 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -7.570 1.498 12.089 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -10.368 0.286 11.714 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -9.358 -0.017 13.114 1.00 0.00 H new ATOM 0 HE ARG A 96 -9.603 2.887 12.477 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -9.371 1.392 15.222 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -10.955 1.763 15.911 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -12.319 2.793 12.864 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -12.607 2.548 14.590 1.00 0.00 H new ATOM 1474 N TYR A 97 -9.568 1.213 6.980 1.00 0.00 N ATOM 1475 CA TYR A 97 -9.710 1.882 5.661 1.00 0.00 C ATOM 1476 C TYR A 97 -11.057 1.556 4.995 1.00 0.00 C ATOM 1477 O TYR A 97 -11.649 2.406 4.366 1.00 0.00 O ATOM 1478 CB TYR A 97 -8.542 1.332 4.857 1.00 0.00 C ATOM 1479 CG TYR A 97 -7.323 2.171 5.143 1.00 0.00 C ATOM 1480 CD1 TYR A 97 -6.531 1.893 6.263 1.00 0.00 C ATOM 1481 CD2 TYR A 97 -6.991 3.233 4.296 1.00 0.00 C ATOM 1482 CE1 TYR A 97 -5.405 2.677 6.536 1.00 0.00 C ATOM 1483 CE2 TYR A 97 -5.866 4.017 4.567 1.00 0.00 C ATOM 1484 CZ TYR A 97 -5.072 3.740 5.687 1.00 0.00 C ATOM 1485 OH TYR A 97 -3.961 4.514 5.953 1.00 0.00 O ATOM 0 H TYR A 97 -9.196 0.264 6.945 1.00 0.00 H new ATOM 0 HA TYR A 97 -9.697 2.969 5.740 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -8.356 0.292 5.124 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -8.773 1.352 3.792 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -6.789 1.073 6.917 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -7.604 3.447 3.433 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -4.793 2.463 7.400 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -5.609 4.837 3.912 1.00 0.00 H new ATOM 0 HH TYR A 97 -3.163 3.946 5.970 1.00 0.00 H new ATOM 1495 N SER A 98 -11.540 0.342 5.127 1.00 0.00 N ATOM 1496 CA SER A 98 -12.852 -0.043 4.515 1.00 0.00 C ATOM 1497 C SER A 98 -12.728 -0.262 3.008 1.00 0.00 C ATOM 1498 O SER A 98 -13.409 0.375 2.231 1.00 0.00 O ATOM 1499 CB SER A 98 -13.815 1.113 4.797 1.00 0.00 C ATOM 1500 OG SER A 98 -13.702 1.501 6.161 1.00 0.00 O ATOM 0 H SER A 98 -11.074 -0.407 5.639 1.00 0.00 H new ATOM 0 HA SER A 98 -13.206 -0.982 4.940 1.00 0.00 H new ATOM 0 HB2 SER A 98 -13.587 1.958 4.147 1.00 0.00 H new ATOM 0 HB3 SER A 98 -14.839 0.810 4.577 1.00 0.00 H new ATOM 0 HG SER A 98 -14.317 2.242 6.342 1.00 0.00 H new ATOM 1506 N ASN A 99 -11.895 -1.176 2.583 1.00 0.00 N ATOM 1507 CA ASN A 99 -11.780 -1.438 1.121 1.00 0.00 C ATOM 1508 C ASN A 99 -11.414 -0.151 0.375 1.00 0.00 C ATOM 1509 O ASN A 99 -12.169 0.797 0.344 1.00 0.00 O ATOM 1510 CB ASN A 99 -13.172 -1.926 0.740 1.00 0.00 C ATOM 1511 CG ASN A 99 -13.234 -3.450 0.866 1.00 0.00 C ATOM 1512 OD1 ASN A 99 -13.987 -4.098 0.166 1.00 0.00 O ATOM 1513 ND2 ASN A 99 -12.471 -4.056 1.737 1.00 0.00 N ATOM 0 H ASN A 99 -11.296 -1.746 3.179 1.00 0.00 H new ATOM 0 HA ASN A 99 -11.002 -2.158 0.868 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -13.919 -1.467 1.387 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -13.407 -1.626 -0.281 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -12.508 -5.071 1.828 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -11.838 -3.514 2.325 1.00 0.00 H new ATOM 1520 N ILE A 100 -10.240 -0.099 -0.189 1.00 0.00 N ATOM 1521 CA ILE A 100 -9.791 1.147 -0.891 1.00 0.00 C ATOM 1522 C ILE A 100 -9.174 0.785 -2.283 1.00 0.00 C ATOM 1523 O ILE A 100 -9.781 0.005 -2.989 1.00 0.00 O ATOM 1524 CB ILE A 100 -8.799 1.761 0.107 1.00 0.00 C ATOM 1525 CG1 ILE A 100 -9.220 1.447 1.545 1.00 0.00 C ATOM 1526 CG2 ILE A 100 -8.775 3.275 -0.057 1.00 0.00 C ATOM 1527 CD1 ILE A 100 -8.701 0.054 1.924 1.00 0.00 C ATOM 0 H ILE A 100 -9.567 -0.865 -0.197 1.00 0.00 H new ATOM 0 HA ILE A 100 -10.583 1.855 -1.136 1.00 0.00 H new ATOM 0 HB ILE A 100 -7.814 1.338 -0.091 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -8.819 2.197 2.227 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -10.306 1.482 1.636 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -8.070 3.707 0.653 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -8.467 3.526 -1.072 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -9.771 3.677 0.130 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -8.996 -0.178 2.947 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -9.124 -0.688 1.247 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -7.614 0.038 1.848 1.00 0.00 H new ATOM 1539 N PRO A 101 -8.013 1.328 -2.689 1.00 0.00 N ATOM 1540 CA PRO A 101 -7.461 0.946 -4.029 1.00 0.00 C ATOM 1541 C PRO A 101 -6.859 -0.465 -3.992 1.00 0.00 C ATOM 1542 O PRO A 101 -6.111 -0.853 -4.867 1.00 0.00 O ATOM 1543 CB PRO A 101 -6.339 1.944 -4.262 1.00 0.00 C ATOM 1544 CG PRO A 101 -5.900 2.331 -2.896 1.00 0.00 C ATOM 1545 CD PRO A 101 -7.126 2.314 -2.030 1.00 0.00 C ATOM 0 HA PRO A 101 -8.230 0.954 -4.801 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -5.523 1.499 -4.831 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -6.687 2.808 -4.828 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -5.150 1.636 -2.519 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -5.443 3.321 -2.902 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -6.889 2.018 -1.008 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -7.592 3.298 -1.977 1.00 0.00 H new ATOM 1553 N LEU A 102 -7.142 -1.211 -2.965 1.00 0.00 N ATOM 1554 CA LEU A 102 -6.559 -2.573 -2.823 1.00 0.00 C ATOM 1555 C LEU A 102 -7.096 -3.560 -3.872 1.00 0.00 C ATOM 1556 O LEU A 102 -7.372 -3.199 -4.999 1.00 0.00 O ATOM 1557 CB LEU A 102 -6.988 -2.998 -1.416 1.00 0.00 C ATOM 1558 CG LEU A 102 -8.458 -3.448 -1.398 1.00 0.00 C ATOM 1559 CD1 LEU A 102 -8.954 -3.442 0.043 1.00 0.00 C ATOM 1560 CD2 LEU A 102 -9.336 -2.497 -2.219 1.00 0.00 C ATOM 0 H LEU A 102 -7.762 -0.931 -2.205 1.00 0.00 H new ATOM 0 HA LEU A 102 -5.479 -2.568 -2.972 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -6.351 -3.811 -1.068 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -6.850 -2.167 -0.724 1.00 0.00 H new ATOM 0 HG LEU A 102 -8.521 -4.446 -1.831 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -9.996 -3.759 0.070 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -8.350 -4.127 0.638 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -8.871 -2.435 0.452 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -10.370 -2.839 -2.189 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -9.274 -1.492 -1.801 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -8.989 -2.482 -3.252 1.00 0.00 H new ATOM 1572 N LEU A 103 -7.232 -4.810 -3.489 1.00 0.00 N ATOM 1573 CA LEU A 103 -7.748 -5.867 -4.418 1.00 0.00 C ATOM 1574 C LEU A 103 -6.683 -6.282 -5.442 1.00 0.00 C ATOM 1575 O LEU A 103 -5.961 -7.235 -5.233 1.00 0.00 O ATOM 1576 CB LEU A 103 -8.980 -5.262 -5.104 1.00 0.00 C ATOM 1577 CG LEU A 103 -10.231 -6.050 -4.708 1.00 0.00 C ATOM 1578 CD1 LEU A 103 -10.236 -6.309 -3.198 1.00 0.00 C ATOM 1579 CD2 LEU A 103 -11.468 -5.234 -5.072 1.00 0.00 C ATOM 0 H LEU A 103 -7.002 -5.147 -2.554 1.00 0.00 H new ATOM 0 HA LEU A 103 -8.006 -6.776 -3.876 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -9.091 -4.216 -4.817 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -8.853 -5.283 -6.186 1.00 0.00 H new ATOM 0 HG LEU A 103 -10.235 -7.003 -5.237 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -11.131 -6.870 -2.928 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -9.351 -6.883 -2.924 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -10.230 -5.358 -2.666 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -12.364 -5.788 -4.793 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -11.448 -4.284 -4.538 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -11.477 -5.046 -6.146 1.00 0.00 H new ATOM 1591 N THR A 104 -6.579 -5.591 -6.543 1.00 0.00 N ATOM 1592 CA THR A 104 -5.561 -5.977 -7.565 1.00 0.00 C ATOM 1593 C THR A 104 -5.602 -5.039 -8.779 1.00 0.00 C ATOM 1594 O THR A 104 -4.635 -4.927 -9.504 1.00 0.00 O ATOM 1595 CB THR A 104 -5.936 -7.400 -7.989 1.00 0.00 C ATOM 1596 OG1 THR A 104 -5.000 -7.863 -8.950 1.00 0.00 O ATOM 1597 CG2 THR A 104 -7.337 -7.404 -8.601 1.00 0.00 C ATOM 0 H THR A 104 -7.150 -4.780 -6.780 1.00 0.00 H new ATOM 0 HA THR A 104 -4.551 -5.914 -7.159 1.00 0.00 H new ATOM 0 HB THR A 104 -5.923 -8.054 -7.117 1.00 0.00 H new ATOM 0 HG1 THR A 104 -5.235 -8.774 -9.223 1.00 0.00 H new ATOM 0 HG21 THR A 104 -7.600 -8.418 -8.901 1.00 0.00 H new ATOM 0 HG22 THR A 104 -8.057 -7.045 -7.865 1.00 0.00 H new ATOM 0 HG23 THR A 104 -7.355 -6.751 -9.474 1.00 0.00 H new ATOM 1605 N LYS A 105 -6.716 -4.384 -9.013 1.00 0.00 N ATOM 1606 CA LYS A 105 -6.829 -3.464 -10.188 1.00 0.00 C ATOM 1607 C LYS A 105 -5.483 -2.803 -10.504 1.00 0.00 C ATOM 1608 O LYS A 105 -4.700 -2.528 -9.616 1.00 0.00 O ATOM 1609 CB LYS A 105 -7.859 -2.411 -9.773 1.00 0.00 C ATOM 1610 CG LYS A 105 -9.269 -2.942 -10.039 1.00 0.00 C ATOM 1611 CD LYS A 105 -9.893 -3.420 -8.727 1.00 0.00 C ATOM 1612 CE LYS A 105 -11.208 -2.676 -8.485 1.00 0.00 C ATOM 1613 NZ LYS A 105 -10.803 -1.341 -7.962 1.00 0.00 N ATOM 0 H LYS A 105 -7.555 -4.449 -8.437 1.00 0.00 H new ATOM 0 HA LYS A 105 -7.127 -3.999 -11.090 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -7.743 -2.171 -8.716 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -7.696 -1.488 -10.330 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -9.885 -2.160 -10.483 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -9.230 -3.763 -10.755 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -10.073 -4.494 -8.768 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -9.206 -3.243 -7.900 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -11.784 -2.581 -9.406 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -11.836 -3.207 -7.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -11.651 -0.802 -7.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -10.192 -1.465 -7.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -10.284 -0.822 -8.699 1.00 0.00 H new ATOM 1627 N PRO A 106 -5.255 -2.591 -11.773 1.00 0.00 N ATOM 1628 CA PRO A 106 -3.984 -1.979 -12.230 1.00 0.00 C ATOM 1629 C PRO A 106 -3.934 -0.477 -11.908 1.00 0.00 C ATOM 1630 O PRO A 106 -3.580 -0.087 -10.813 1.00 0.00 O ATOM 1631 CB PRO A 106 -3.990 -2.228 -13.736 1.00 0.00 C ATOM 1632 CG PRO A 106 -5.434 -2.366 -14.103 1.00 0.00 C ATOM 1633 CD PRO A 106 -6.154 -2.900 -12.890 1.00 0.00 C ATOM 0 HA PRO A 106 -3.110 -2.402 -11.735 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -3.524 -1.402 -14.274 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -3.431 -3.129 -13.989 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -5.848 -1.404 -14.403 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -5.553 -3.042 -14.950 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -7.126 -2.424 -12.762 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -6.333 -3.972 -12.973 1.00 0.00 H new ATOM 1641 N PHE A 107 -4.262 0.373 -12.850 1.00 0.00 N ATOM 1642 CA PHE A 107 -4.200 1.842 -12.578 1.00 0.00 C ATOM 1643 C PHE A 107 -5.596 2.470 -12.569 1.00 0.00 C ATOM 1644 O PHE A 107 -6.082 2.874 -11.534 1.00 0.00 O ATOM 1645 CB PHE A 107 -3.370 2.426 -13.725 1.00 0.00 C ATOM 1646 CG PHE A 107 -1.992 1.802 -13.741 1.00 0.00 C ATOM 1647 CD1 PHE A 107 -1.500 1.143 -12.606 1.00 0.00 C ATOM 1648 CD2 PHE A 107 -1.204 1.885 -14.895 1.00 0.00 C ATOM 1649 CE1 PHE A 107 -0.225 0.568 -12.628 1.00 0.00 C ATOM 1650 CE2 PHE A 107 0.073 1.310 -14.916 1.00 0.00 C ATOM 1651 CZ PHE A 107 0.562 0.651 -13.782 1.00 0.00 C ATOM 0 H PHE A 107 -4.568 0.116 -13.788 1.00 0.00 H new ATOM 0 HA PHE A 107 -3.765 2.044 -11.599 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -3.871 2.244 -14.676 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -3.287 3.507 -13.610 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -2.106 1.079 -11.714 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -1.581 2.393 -15.770 1.00 0.00 H new ATOM 0 HE1 PHE A 107 0.152 0.059 -11.753 1.00 0.00 H new ATOM 0 HE2 PHE A 107 0.680 1.375 -15.807 1.00 0.00 H new ATOM 0 HZ PHE A 107 1.546 0.207 -13.798 1.00 0.00 H new ATOM 1661 N LEU A 108 -6.214 2.567 -13.725 1.00 0.00 N ATOM 1662 CA LEU A 108 -7.582 3.184 -13.852 1.00 0.00 C ATOM 1663 C LEU A 108 -8.289 3.321 -12.493 1.00 0.00 C ATOM 1664 O LEU A 108 -7.966 4.192 -11.706 1.00 0.00 O ATOM 1665 CB LEU A 108 -8.361 2.245 -14.785 1.00 0.00 C ATOM 1666 CG LEU A 108 -7.967 0.789 -14.516 1.00 0.00 C ATOM 1667 CD1 LEU A 108 -9.184 -0.117 -14.709 1.00 0.00 C ATOM 1668 CD2 LEU A 108 -6.865 0.374 -15.494 1.00 0.00 C ATOM 0 H LEU A 108 -5.821 2.238 -14.607 1.00 0.00 H new ATOM 0 HA LEU A 108 -7.518 4.199 -14.245 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -9.432 2.374 -14.632 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -8.155 2.499 -15.825 1.00 0.00 H new ATOM 0 HG LEU A 108 -7.605 0.695 -13.492 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -8.901 -1.152 -14.517 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -9.971 0.179 -14.016 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -9.548 -0.024 -15.732 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -6.582 -0.662 -15.305 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -7.231 0.470 -16.516 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -5.996 1.018 -15.358 1.00 0.00 H new ATOM 1680 N ASP A 109 -9.251 2.482 -12.208 1.00 0.00 N ATOM 1681 CA ASP A 109 -9.964 2.588 -10.902 1.00 0.00 C ATOM 1682 C ASP A 109 -8.960 2.607 -9.749 1.00 0.00 C ATOM 1683 O ASP A 109 -9.193 3.213 -8.722 1.00 0.00 O ATOM 1684 CB ASP A 109 -10.844 1.340 -10.824 1.00 0.00 C ATOM 1685 CG ASP A 109 -11.756 1.277 -12.051 1.00 0.00 C ATOM 1686 OD1 ASP A 109 -11.232 1.246 -13.153 1.00 0.00 O ATOM 1687 OD2 ASP A 109 -12.961 1.260 -11.868 1.00 0.00 O ATOM 0 H ASP A 109 -9.572 1.732 -12.820 1.00 0.00 H new ATOM 0 HA ASP A 109 -10.550 3.504 -10.828 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -10.222 0.446 -10.775 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -11.443 1.362 -9.914 1.00 0.00 H new ATOM 1692 N SER A 110 -7.847 1.947 -9.908 1.00 0.00 N ATOM 1693 CA SER A 110 -6.834 1.930 -8.815 1.00 0.00 C ATOM 1694 C SER A 110 -6.613 3.349 -8.283 1.00 0.00 C ATOM 1695 O SER A 110 -6.984 3.667 -7.171 1.00 0.00 O ATOM 1696 CB SER A 110 -5.558 1.390 -9.460 1.00 0.00 C ATOM 1697 OG SER A 110 -4.932 0.477 -8.568 1.00 0.00 O ATOM 0 H SER A 110 -7.595 1.420 -10.744 1.00 0.00 H new ATOM 0 HA SER A 110 -7.147 1.318 -7.969 1.00 0.00 H new ATOM 0 HB2 SER A 110 -5.794 0.893 -10.401 1.00 0.00 H new ATOM 0 HB3 SER A 110 -4.880 2.210 -9.694 1.00 0.00 H new ATOM 0 HG SER A 110 -4.247 -0.033 -9.049 1.00 0.00 H new ATOM 1703 N GLU A 111 -6.019 4.204 -9.071 1.00 0.00 N ATOM 1704 CA GLU A 111 -5.776 5.605 -8.612 1.00 0.00 C ATOM 1705 C GLU A 111 -7.055 6.207 -8.032 1.00 0.00 C ATOM 1706 O GLU A 111 -7.034 6.892 -7.028 1.00 0.00 O ATOM 1707 CB GLU A 111 -5.363 6.367 -9.868 1.00 0.00 C ATOM 1708 CG GLU A 111 -3.864 6.646 -9.821 1.00 0.00 C ATOM 1709 CD GLU A 111 -3.100 5.454 -10.400 1.00 0.00 C ATOM 1710 OE1 GLU A 111 -3.704 4.688 -11.131 1.00 0.00 O ATOM 1711 OE2 GLU A 111 -1.924 5.330 -10.102 1.00 0.00 O ATOM 0 H GLU A 111 -5.691 3.994 -10.014 1.00 0.00 H new ATOM 0 HA GLU A 111 -5.017 5.651 -7.831 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -5.608 5.785 -10.757 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -5.916 7.303 -9.937 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -3.634 7.548 -10.388 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -3.550 6.827 -8.793 1.00 0.00 H new ATOM 1718 N LEU A 112 -8.168 5.956 -8.659 1.00 0.00 N ATOM 1719 CA LEU A 112 -9.455 6.519 -8.133 1.00 0.00 C ATOM 1720 C LEU A 112 -9.752 5.901 -6.772 1.00 0.00 C ATOM 1721 O LEU A 112 -9.756 6.570 -5.759 1.00 0.00 O ATOM 1722 CB LEU A 112 -10.561 6.129 -9.125 1.00 0.00 C ATOM 1723 CG LEU A 112 -10.023 6.084 -10.553 1.00 0.00 C ATOM 1724 CD1 LEU A 112 -11.189 6.030 -11.540 1.00 0.00 C ATOM 1725 CD2 LEU A 112 -9.177 7.330 -10.828 1.00 0.00 C ATOM 0 H LEU A 112 -8.250 5.392 -9.505 1.00 0.00 H new ATOM 0 HA LEU A 112 -9.395 7.602 -8.025 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -10.969 5.155 -8.855 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -11.380 6.846 -9.063 1.00 0.00 H new ATOM 0 HG LEU A 112 -9.404 5.195 -10.674 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -10.802 5.998 -12.559 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -11.785 5.138 -11.350 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -11.812 6.916 -11.416 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -8.796 7.293 -11.848 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -9.791 8.222 -10.702 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -8.341 7.364 -10.129 1.00 0.00 H new ATOM 1737 N GLU A 113 -9.986 4.620 -6.742 1.00 0.00 N ATOM 1738 CA GLU A 113 -10.267 3.951 -5.444 1.00 0.00 C ATOM 1739 C GLU A 113 -9.215 4.376 -4.435 1.00 0.00 C ATOM 1740 O GLU A 113 -9.462 4.461 -3.245 1.00 0.00 O ATOM 1741 CB GLU A 113 -10.137 2.449 -5.729 1.00 0.00 C ATOM 1742 CG GLU A 113 -11.033 2.081 -6.911 1.00 0.00 C ATOM 1743 CD GLU A 113 -12.224 1.263 -6.414 1.00 0.00 C ATOM 1744 OE1 GLU A 113 -12.905 1.733 -5.518 1.00 0.00 O ATOM 1745 OE2 GLU A 113 -12.437 0.182 -6.938 1.00 0.00 O ATOM 0 H GLU A 113 -9.995 4.009 -7.559 1.00 0.00 H new ATOM 0 HA GLU A 113 -11.249 4.204 -5.044 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -9.100 2.198 -5.952 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -10.422 1.874 -4.848 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -11.382 2.984 -7.411 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -10.467 1.509 -7.646 1.00 0.00 H new ATOM 1752 N ALA A 114 -8.028 4.626 -4.908 1.00 0.00 N ATOM 1753 CA ALA A 114 -6.936 5.011 -3.982 1.00 0.00 C ATOM 1754 C ALA A 114 -7.087 6.433 -3.456 1.00 0.00 C ATOM 1755 O ALA A 114 -6.545 6.765 -2.422 1.00 0.00 O ATOM 1756 CB ALA A 114 -5.643 4.872 -4.786 1.00 0.00 C ATOM 0 H ALA A 114 -7.769 4.580 -5.894 1.00 0.00 H new ATOM 0 HA ALA A 114 -6.947 4.372 -3.099 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -4.794 5.142 -4.159 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -5.532 3.841 -5.122 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -5.680 5.533 -5.652 1.00 0.00 H new ATOM 1762 N VAL A 115 -7.781 7.293 -4.137 1.00 0.00 N ATOM 1763 CA VAL A 115 -7.878 8.677 -3.601 1.00 0.00 C ATOM 1764 C VAL A 115 -9.306 9.058 -3.196 1.00 0.00 C ATOM 1765 O VAL A 115 -9.503 9.918 -2.361 1.00 0.00 O ATOM 1766 CB VAL A 115 -7.374 9.579 -4.725 1.00 0.00 C ATOM 1767 CG1 VAL A 115 -7.177 10.999 -4.192 1.00 0.00 C ATOM 1768 CG2 VAL A 115 -6.040 9.036 -5.242 1.00 0.00 C ATOM 0 H VAL A 115 -8.271 7.111 -5.013 1.00 0.00 H new ATOM 0 HA VAL A 115 -7.290 8.777 -2.689 1.00 0.00 H new ATOM 0 HB VAL A 115 -8.102 9.598 -5.536 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -6.817 11.642 -4.995 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -8.126 11.382 -3.818 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -6.447 10.986 -3.383 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -5.674 9.675 -6.045 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -5.313 9.022 -4.430 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -6.181 8.023 -5.620 1.00 0.00 H new ATOM 1778 N LEU A 116 -10.303 8.456 -3.777 1.00 0.00 N ATOM 1779 CA LEU A 116 -11.699 8.836 -3.405 1.00 0.00 C ATOM 1780 C LEU A 116 -12.192 8.004 -2.212 1.00 0.00 C ATOM 1781 O LEU A 116 -13.146 8.367 -1.553 1.00 0.00 O ATOM 1782 CB LEU A 116 -12.522 8.608 -4.698 1.00 0.00 C ATOM 1783 CG LEU A 116 -13.540 7.460 -4.568 1.00 0.00 C ATOM 1784 CD1 LEU A 116 -12.834 6.179 -4.134 1.00 0.00 C ATOM 1785 CD2 LEU A 116 -14.622 7.828 -3.547 1.00 0.00 C ATOM 0 H LEU A 116 -10.218 7.726 -4.485 1.00 0.00 H new ATOM 0 HA LEU A 116 -11.789 9.869 -3.069 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -13.050 9.527 -4.953 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -11.842 8.392 -5.522 1.00 0.00 H new ATOM 0 HG LEU A 116 -14.008 7.296 -5.539 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -13.563 5.374 -4.045 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -12.083 5.908 -4.876 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -12.351 6.339 -3.170 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -15.337 7.009 -3.463 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -14.160 8.008 -2.576 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -15.140 8.729 -3.875 1.00 0.00 H new