USER MOD reduce.3.24.130724 H: found=0, std=0, add=747, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 751 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 35 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 58 THR OG1 : rot 27:sc= -6.08! USER MOD Single : A 4 ASN : amide:sc= -6.84! C(o=-6.8!,f=-15!) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0765 USER MOD Single : A 10 GLN : amide:sc= -0.23 K(o=-0.23,f=-1.4!) USER MOD Single : A 13 GLN : amide:sc= -2 K(o=-2,f=-4.9!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 155:sc= 0.04 USER MOD Single : A 24 THR OG1 : rot -79:sc= -1.08 USER MOD Single : A 29 SER OG : rot -125:sc= -1.95! USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HE2:sc= -2.57 K(o=-2.6,f=-1.9) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 CYS SG : rot 20:sc= 0.0038 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0355 USER MOD Single : A 62 THR OG1 : rot 180:sc= -1.3 USER MOD Single : A 65 THR OG1 : rot 58:sc= -5.47! USER MOD Single : A 67 THR OG1 : rot -160:sc= -1.82 USER MOD Single : A 69 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.0426) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 ASN : amide:sc= -0.892 K(o=-0.89,f=-3.4!) USER MOD Single : A 76 MET CE :methyl 145:sc= -3.32! (180deg=-6.82!) USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.343 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot -120:sc= -1.04 USER MOD Single : A 92 GLN : amide:sc= -1.56 K(o=-1.6,f=-4.4!) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 CYS SG : rot 180:sc=-0.000981 USER MOD ----------------------------------------------------------------- ATOM 49 N ASN A 4 -9.037 8.610 7.136 1.00 0.00 N ATOM 50 CA ASN A 4 -8.688 7.897 5.919 1.00 0.00 C ATOM 51 C ASN A 4 -8.956 6.403 6.115 1.00 0.00 C ATOM 52 O ASN A 4 -9.224 5.957 7.230 1.00 0.00 O ATOM 53 CB ASN A 4 -7.206 8.071 5.584 1.00 0.00 C ATOM 54 CG ASN A 4 -6.900 7.567 4.172 1.00 0.00 C ATOM 55 OD1 ASN A 4 -6.705 6.386 3.936 1.00 0.00 O ATOM 56 ND2 ASN A 4 -6.869 8.525 3.250 1.00 0.00 N ATOM 0 HA ASN A 4 -9.291 8.302 5.106 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -6.932 9.123 5.666 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -6.600 7.526 6.308 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -6.673 8.290 2.277 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -7.041 9.495 3.516 1.00 0.00 H new ATOM 63 N ASP A 5 -8.873 5.670 5.014 1.00 0.00 N ATOM 64 CA ASP A 5 -9.103 4.236 5.050 1.00 0.00 C ATOM 65 C ASP A 5 -7.764 3.513 5.210 1.00 0.00 C ATOM 66 O ASP A 5 -7.641 2.601 6.026 1.00 0.00 O ATOM 67 CB ASP A 5 -9.751 3.749 3.753 1.00 0.00 C ATOM 68 CG ASP A 5 -11.074 4.430 3.396 1.00 0.00 C ATOM 69 OD1 ASP A 5 -11.897 3.875 2.653 1.00 0.00 O ATOM 70 OD2 ASP A 5 -11.247 5.595 3.922 1.00 0.00 O ATOM 0 H ASP A 5 -8.650 6.043 4.091 1.00 0.00 H new ATOM 0 HA ASP A 5 -9.767 4.022 5.887 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -9.048 3.902 2.934 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -9.922 2.675 3.831 1.00 0.00 H new ATOM 76 N ILE A 6 -6.795 3.949 4.419 1.00 0.00 N ATOM 77 CA ILE A 6 -5.469 3.355 4.462 1.00 0.00 C ATOM 78 C ILE A 6 -4.472 4.291 3.777 1.00 0.00 C ATOM 79 O ILE A 6 -4.780 4.880 2.741 1.00 0.00 O ATOM 80 CB ILE A 6 -5.495 1.944 3.871 1.00 0.00 C ATOM 81 CG1 ILE A 6 -4.086 1.349 3.809 1.00 0.00 C ATOM 82 CG2 ILE A 6 -6.181 1.935 2.503 1.00 0.00 C ATOM 83 CD1 ILE A 6 -4.091 -0.119 4.240 1.00 0.00 C ATOM 0 H ILE A 6 -6.901 4.707 3.744 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.138 3.237 5.494 1.00 0.00 H new ATOM 0 HB ILE A 6 -6.085 1.308 4.532 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -3.697 1.432 2.794 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.418 1.919 4.455 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.186 0.920 2.105 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -7.207 2.289 2.608 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -5.640 2.590 1.820 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -3.078 -0.517 4.187 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -4.458 -0.196 5.263 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -4.741 -0.691 3.577 1.00 0.00 H new ATOM 95 N THR A 7 -3.299 4.399 4.382 1.00 0.00 N ATOM 96 CA THR A 7 -2.255 5.254 3.842 1.00 0.00 C ATOM 97 C THR A 7 -1.210 4.417 3.102 1.00 0.00 C ATOM 98 O THR A 7 -1.274 3.189 3.109 1.00 0.00 O ATOM 99 CB THR A 7 -1.672 6.073 4.995 1.00 0.00 C ATOM 100 OG1 THR A 7 -1.627 5.156 6.085 1.00 0.00 O ATOM 101 CG2 THR A 7 -2.623 7.173 5.472 1.00 0.00 C ATOM 0 H THR A 7 -3.048 3.909 5.241 1.00 0.00 H new ATOM 0 HA THR A 7 -2.654 5.947 3.101 1.00 0.00 H new ATOM 0 HB THR A 7 -0.729 6.520 4.681 1.00 0.00 H new ATOM 0 HG1 THR A 7 -1.259 5.605 6.875 1.00 0.00 H new ATOM 0 HG21 THR A 7 -2.161 7.724 6.291 1.00 0.00 H new ATOM 0 HG22 THR A 7 -2.832 7.855 4.648 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.555 6.724 5.817 1.00 0.00 H new ATOM 109 N PHE A 8 -0.271 5.116 2.481 1.00 0.00 N ATOM 110 CA PHE A 8 0.787 4.453 1.737 1.00 0.00 C ATOM 111 C PHE A 8 2.024 5.346 1.628 1.00 0.00 C ATOM 112 O PHE A 8 1.919 6.514 1.254 1.00 0.00 O ATOM 113 CB PHE A 8 0.243 4.180 0.333 1.00 0.00 C ATOM 114 CG PHE A 8 -1.085 3.422 0.317 1.00 0.00 C ATOM 115 CD1 PHE A 8 -2.260 4.107 0.345 1.00 0.00 C ATOM 116 CD2 PHE A 8 -1.092 2.062 0.274 1.00 0.00 C ATOM 117 CE1 PHE A 8 -3.493 3.403 0.330 1.00 0.00 C ATOM 118 CE2 PHE A 8 -2.325 1.358 0.259 1.00 0.00 C ATOM 119 CZ PHE A 8 -3.500 2.043 0.287 1.00 0.00 C ATOM 0 H PHE A 8 -0.221 6.135 2.478 1.00 0.00 H new ATOM 0 HA PHE A 8 1.080 3.534 2.245 1.00 0.00 H new ATOM 0 HB2 PHE A 8 0.114 5.130 -0.186 1.00 0.00 H new ATOM 0 HB3 PHE A 8 0.983 3.608 -0.227 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -2.255 5.186 0.379 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -0.159 1.518 0.251 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -4.426 3.947 0.353 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -2.330 0.279 0.225 1.00 0.00 H new ATOM 0 HZ PHE A 8 -4.438 1.508 0.275 1.00 0.00 H new ATOM 129 N PHE A 9 3.166 4.764 1.960 1.00 0.00 N ATOM 130 CA PHE A 9 4.422 5.494 1.904 1.00 0.00 C ATOM 131 C PHE A 9 4.504 6.346 0.637 1.00 0.00 C ATOM 132 O PHE A 9 3.760 6.122 -0.316 1.00 0.00 O ATOM 133 CB PHE A 9 5.543 4.453 1.878 1.00 0.00 C ATOM 134 CG PHE A 9 6.944 5.043 2.049 1.00 0.00 C ATOM 135 CD1 PHE A 9 7.141 6.097 2.885 1.00 0.00 C ATOM 136 CD2 PHE A 9 7.993 4.513 1.364 1.00 0.00 C ATOM 137 CE1 PHE A 9 8.441 6.645 3.044 1.00 0.00 C ATOM 138 CE2 PHE A 9 9.294 5.061 1.523 1.00 0.00 C ATOM 139 CZ PHE A 9 9.490 6.115 2.359 1.00 0.00 C ATOM 0 H PHE A 9 3.249 3.795 2.269 1.00 0.00 H new ATOM 0 HA PHE A 9 4.505 6.160 2.763 1.00 0.00 H new ATOM 0 HB2 PHE A 9 5.367 3.725 2.670 1.00 0.00 H new ATOM 0 HB3 PHE A 9 5.501 3.912 0.933 1.00 0.00 H new ATOM 0 HD1 PHE A 9 6.308 6.518 3.429 1.00 0.00 H new ATOM 0 HD2 PHE A 9 7.837 3.676 0.700 1.00 0.00 H new ATOM 0 HE1 PHE A 9 8.597 7.482 3.708 1.00 0.00 H new ATOM 0 HE2 PHE A 9 10.127 4.640 0.980 1.00 0.00 H new ATOM 0 HZ PHE A 9 10.479 6.532 2.479 1.00 0.00 H new ATOM 149 N GLN A 10 5.416 7.307 0.666 1.00 0.00 N ATOM 150 CA GLN A 10 5.605 8.195 -0.468 1.00 0.00 C ATOM 151 C GLN A 10 5.811 7.383 -1.749 1.00 0.00 C ATOM 152 O GLN A 10 5.115 7.594 -2.740 1.00 0.00 O ATOM 153 CB GLN A 10 6.778 9.148 -0.229 1.00 0.00 C ATOM 154 CG GLN A 10 6.878 10.186 -1.349 1.00 0.00 C ATOM 155 CD GLN A 10 8.320 10.318 -1.846 1.00 0.00 C ATOM 156 OE1 GLN A 10 9.272 9.970 -1.167 1.00 0.00 O ATOM 157 NE2 GLN A 10 8.426 10.840 -3.065 1.00 0.00 N ATOM 0 H GLN A 10 6.032 7.490 1.458 1.00 0.00 H new ATOM 0 HA GLN A 10 4.706 8.800 -0.584 1.00 0.00 H new ATOM 0 HB2 GLN A 10 6.652 9.652 0.729 1.00 0.00 H new ATOM 0 HB3 GLN A 10 7.707 8.580 -0.171 1.00 0.00 H new ATOM 0 HG2 GLN A 10 6.229 9.898 -2.176 1.00 0.00 H new ATOM 0 HG3 GLN A 10 6.524 11.152 -0.988 1.00 0.00 H new ATOM 0 HE21 GLN A 10 7.587 11.110 -3.579 1.00 0.00 H new ATOM 0 HE22 GLN A 10 9.346 10.970 -3.486 1.00 0.00 H new ATOM 166 N ARG A 11 6.771 6.472 -1.686 1.00 0.00 N ATOM 167 CA ARG A 11 7.078 5.627 -2.828 1.00 0.00 C ATOM 168 C ARG A 11 5.798 4.992 -3.377 1.00 0.00 C ATOM 169 O ARG A 11 5.547 5.035 -4.580 1.00 0.00 O ATOM 170 CB ARG A 11 8.065 4.522 -2.446 1.00 0.00 C ATOM 171 CG ARG A 11 9.368 5.114 -1.907 1.00 0.00 C ATOM 172 CD ARG A 11 10.579 4.332 -2.420 1.00 0.00 C ATOM 173 NE ARG A 11 11.249 5.089 -3.501 1.00 0.00 N ATOM 174 CZ ARG A 11 12.188 4.568 -4.320 1.00 0.00 C ATOM 175 NH1 ARG A 11 12.576 3.282 -4.188 1.00 0.00 N ATOM 176 NH2 ARG A 11 12.721 5.336 -5.252 1.00 0.00 N ATOM 0 H ARG A 11 7.347 6.300 -0.862 1.00 0.00 H new ATOM 0 HA ARG A 11 7.533 6.256 -3.593 1.00 0.00 H new ATOM 0 HB2 ARG A 11 7.617 3.874 -1.693 1.00 0.00 H new ATOM 0 HB3 ARG A 11 8.276 3.901 -3.317 1.00 0.00 H new ATOM 0 HG2 ARG A 11 9.450 6.158 -2.210 1.00 0.00 H new ATOM 0 HG3 ARG A 11 9.355 5.098 -0.817 1.00 0.00 H new ATOM 0 HD2 ARG A 11 11.278 4.152 -1.604 1.00 0.00 H new ATOM 0 HD3 ARG A 11 10.263 3.357 -2.790 1.00 0.00 H new ATOM 0 HE ARG A 11 10.985 6.065 -3.636 1.00 0.00 H new ATOM 0 HH11 ARG A 11 12.159 2.695 -3.465 1.00 0.00 H new ATOM 0 HH12 ARG A 11 13.286 2.897 -4.811 1.00 0.00 H new ATOM 0 HH21 ARG A 11 12.422 6.307 -5.345 1.00 0.00 H new ATOM 0 HH22 ARG A 11 13.431 4.959 -5.879 1.00 0.00 H new ATOM 189 N PHE A 12 5.024 4.418 -2.468 1.00 0.00 N ATOM 190 CA PHE A 12 3.777 3.775 -2.846 1.00 0.00 C ATOM 191 C PHE A 12 2.787 4.792 -3.416 1.00 0.00 C ATOM 192 O PHE A 12 2.086 4.505 -4.385 1.00 0.00 O ATOM 193 CB PHE A 12 3.186 3.163 -1.574 1.00 0.00 C ATOM 194 CG PHE A 12 3.819 1.829 -1.173 1.00 0.00 C ATOM 195 CD1 PHE A 12 5.173 1.706 -1.124 1.00 0.00 C ATOM 196 CD2 PHE A 12 3.028 0.766 -0.867 1.00 0.00 C ATOM 197 CE1 PHE A 12 5.760 0.468 -0.752 1.00 0.00 C ATOM 198 CE2 PHE A 12 3.616 -0.472 -0.495 1.00 0.00 C ATOM 199 CZ PHE A 12 4.969 -0.595 -0.445 1.00 0.00 C ATOM 0 H PHE A 12 5.236 4.385 -1.471 1.00 0.00 H new ATOM 0 HA PHE A 12 3.964 3.022 -3.611 1.00 0.00 H new ATOM 0 HB2 PHE A 12 3.305 3.871 -0.754 1.00 0.00 H new ATOM 0 HB3 PHE A 12 2.115 3.017 -1.717 1.00 0.00 H new ATOM 0 HD1 PHE A 12 5.801 2.550 -1.368 1.00 0.00 H new ATOM 0 HD2 PHE A 12 1.953 0.863 -0.907 1.00 0.00 H new ATOM 0 HE1 PHE A 12 6.835 0.370 -0.713 1.00 0.00 H new ATOM 0 HE2 PHE A 12 2.988 -1.316 -0.252 1.00 0.00 H new ATOM 0 HZ PHE A 12 5.416 -1.537 -0.162 1.00 0.00 H new ATOM 209 N GLN A 13 2.760 5.959 -2.791 1.00 0.00 N ATOM 210 CA GLN A 13 1.867 7.020 -3.224 1.00 0.00 C ATOM 211 C GLN A 13 2.134 7.374 -4.689 1.00 0.00 C ATOM 212 O GLN A 13 1.206 7.442 -5.493 1.00 0.00 O ATOM 213 CB GLN A 13 2.006 8.253 -2.329 1.00 0.00 C ATOM 214 CG GLN A 13 0.790 8.405 -1.412 1.00 0.00 C ATOM 215 CD GLN A 13 -0.014 9.657 -1.770 1.00 0.00 C ATOM 216 OE1 GLN A 13 0.488 10.601 -2.358 1.00 0.00 O ATOM 217 NE2 GLN A 13 -1.286 9.611 -1.384 1.00 0.00 N ATOM 0 H GLN A 13 3.343 6.194 -1.987 1.00 0.00 H new ATOM 0 HA GLN A 13 0.841 6.662 -3.138 1.00 0.00 H new ATOM 0 HB2 GLN A 13 2.911 8.170 -1.728 1.00 0.00 H new ATOM 0 HB3 GLN A 13 2.114 9.145 -2.946 1.00 0.00 H new ATOM 0 HG2 GLN A 13 0.154 7.524 -1.496 1.00 0.00 H new ATOM 0 HG3 GLN A 13 1.118 8.463 -0.374 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -1.641 8.789 -0.895 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -1.906 10.398 -1.577 1.00 0.00 H new ATOM 226 N ASP A 14 3.406 7.589 -4.990 1.00 0.00 N ATOM 227 CA ASP A 14 3.806 7.934 -6.344 1.00 0.00 C ATOM 228 C ASP A 14 3.384 6.814 -7.296 1.00 0.00 C ATOM 229 O ASP A 14 2.836 7.077 -8.365 1.00 0.00 O ATOM 230 CB ASP A 14 5.325 8.094 -6.445 1.00 0.00 C ATOM 231 CG ASP A 14 5.867 8.230 -7.869 1.00 0.00 C ATOM 232 OD1 ASP A 14 5.902 7.255 -8.635 1.00 0.00 O ATOM 233 OD2 ASP A 14 6.271 9.412 -8.188 1.00 0.00 O ATOM 0 H ASP A 14 4.173 7.531 -4.320 1.00 0.00 H new ATOM 0 HA ASP A 14 3.326 8.876 -6.609 1.00 0.00 H new ATOM 0 HB2 ASP A 14 5.621 8.974 -5.874 1.00 0.00 H new ATOM 0 HB3 ASP A 14 5.798 7.233 -5.973 1.00 0.00 H new ATOM 239 N ASP A 15 3.657 5.588 -6.875 1.00 0.00 N ATOM 240 CA ASP A 15 3.312 4.427 -7.677 1.00 0.00 C ATOM 241 C ASP A 15 1.826 4.483 -8.036 1.00 0.00 C ATOM 242 O ASP A 15 1.440 4.140 -9.153 1.00 0.00 O ATOM 243 CB ASP A 15 3.563 3.130 -6.905 1.00 0.00 C ATOM 244 CG ASP A 15 3.447 1.850 -7.736 1.00 0.00 C ATOM 245 OD1 ASP A 15 2.426 1.147 -7.688 1.00 0.00 O ATOM 246 OD2 ASP A 15 4.475 1.579 -8.467 1.00 0.00 O ATOM 0 H ASP A 15 4.113 5.373 -5.988 1.00 0.00 H new ATOM 0 HA ASP A 15 3.933 4.440 -8.573 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.561 3.172 -6.468 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.855 3.074 -6.078 1.00 0.00 H new ATOM 252 N ILE A 16 1.032 4.919 -7.069 1.00 0.00 N ATOM 253 CA ILE A 16 -0.403 5.025 -7.270 1.00 0.00 C ATOM 254 C ILE A 16 -0.691 6.129 -8.290 1.00 0.00 C ATOM 255 O ILE A 16 -1.484 5.936 -9.210 1.00 0.00 O ATOM 256 CB ILE A 16 -1.118 5.223 -5.931 1.00 0.00 C ATOM 257 CG1 ILE A 16 -1.133 3.926 -5.121 1.00 0.00 C ATOM 258 CG2 ILE A 16 -2.526 5.785 -6.139 1.00 0.00 C ATOM 259 CD1 ILE A 16 -0.823 4.196 -3.647 1.00 0.00 C ATOM 0 H ILE A 16 1.355 5.203 -6.144 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.799 4.098 -7.683 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.560 5.958 -5.351 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -2.109 3.449 -5.210 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.400 3.230 -5.529 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -3.012 5.916 -5.172 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.462 6.747 -6.647 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.108 5.092 -6.747 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.840 3.257 -3.094 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.164 4.651 -3.560 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -1.572 4.873 -3.236 1.00 0.00 H new ATOM 271 N LEU A 17 -0.031 7.260 -8.092 1.00 0.00 N ATOM 272 CA LEU A 17 -0.206 8.394 -8.983 1.00 0.00 C ATOM 273 C LEU A 17 0.168 7.981 -10.408 1.00 0.00 C ATOM 274 O LEU A 17 -0.307 8.573 -11.375 1.00 0.00 O ATOM 275 CB LEU A 17 0.575 9.605 -8.469 1.00 0.00 C ATOM 276 CG LEU A 17 1.702 10.109 -9.372 1.00 0.00 C ATOM 277 CD1 LEU A 17 1.161 11.045 -10.455 1.00 0.00 C ATOM 278 CD2 LEU A 17 2.812 10.767 -8.549 1.00 0.00 C ATOM 0 H LEU A 17 0.626 7.416 -7.327 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.251 8.703 -9.004 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.127 10.423 -8.307 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.000 9.353 -7.498 1.00 0.00 H new ATOM 0 HG LEU A 17 2.142 9.250 -9.879 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.983 11.389 -11.083 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.435 10.511 -11.068 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.679 11.903 -9.987 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.601 11.116 -9.215 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.403 11.613 -7.996 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.224 10.041 -7.848 1.00 0.00 H new ATOM 290 N ALA A 18 1.018 6.967 -10.491 1.00 0.00 N ATOM 291 CA ALA A 18 1.462 6.467 -11.781 1.00 0.00 C ATOM 292 C ALA A 18 0.344 5.636 -12.414 1.00 0.00 C ATOM 293 O ALA A 18 0.489 5.140 -13.530 1.00 0.00 O ATOM 294 CB ALA A 18 2.753 5.667 -11.602 1.00 0.00 C ATOM 0 H ALA A 18 1.410 6.479 -9.686 1.00 0.00 H new ATOM 0 HA ALA A 18 1.682 7.293 -12.457 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.086 5.292 -12.570 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.524 6.310 -11.177 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.571 4.828 -10.931 1.00 0.00 H new ATOM 300 N GLY A 19 -0.748 5.509 -11.673 1.00 0.00 N ATOM 301 CA GLY A 19 -1.890 4.747 -12.147 1.00 0.00 C ATOM 302 C GLY A 19 -1.476 3.326 -12.537 1.00 0.00 C ATOM 303 O GLY A 19 -1.632 2.925 -13.690 1.00 0.00 O ATOM 0 H GLY A 19 -0.865 5.922 -10.748 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -2.653 4.707 -11.370 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -2.336 5.249 -13.006 1.00 0.00 H new ATOM 307 N ARG A 20 -0.957 2.604 -11.555 1.00 0.00 N ATOM 308 CA ARG A 20 -0.520 1.237 -11.781 1.00 0.00 C ATOM 309 C ARG A 20 -1.220 0.288 -10.806 1.00 0.00 C ATOM 310 O ARG A 20 -0.782 0.128 -9.668 1.00 0.00 O ATOM 311 CB ARG A 20 0.994 1.107 -11.610 1.00 0.00 C ATOM 312 CG ARG A 20 1.659 0.673 -12.919 1.00 0.00 C ATOM 313 CD ARG A 20 1.618 1.799 -13.954 1.00 0.00 C ATOM 314 NE ARG A 20 2.110 1.303 -15.259 1.00 0.00 N ATOM 315 CZ ARG A 20 2.437 2.102 -16.297 1.00 0.00 C ATOM 316 NH1 ARG A 20 2.327 3.443 -16.191 1.00 0.00 N ATOM 317 NH2 ARG A 20 2.865 1.552 -17.418 1.00 0.00 N ATOM 0 H ARG A 20 -0.829 2.940 -10.601 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.782 0.970 -12.805 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.410 2.061 -11.285 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.214 0.380 -10.828 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.693 0.387 -12.728 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.152 -0.208 -13.314 1.00 0.00 H new ATOM 0 HD2 ARG A 20 0.599 2.172 -14.058 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.231 2.635 -13.619 1.00 0.00 H new ATOM 0 HE ARG A 20 2.208 0.295 -15.382 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.995 3.860 -15.322 1.00 0.00 H new ATOM 0 HH12 ARG A 20 2.576 4.039 -16.980 1.00 0.00 H new ATOM 0 HH21 ARG A 20 2.945 0.538 -17.491 1.00 0.00 H new ATOM 0 HH22 ARG A 20 3.116 2.141 -18.212 1.00 0.00 H new ATOM 330 N LYS A 21 -2.296 -0.317 -11.288 1.00 0.00 N ATOM 331 CA LYS A 21 -3.060 -1.246 -10.473 1.00 0.00 C ATOM 332 C LYS A 21 -2.100 -2.082 -9.624 1.00 0.00 C ATOM 333 O LYS A 21 -1.492 -3.030 -10.120 1.00 0.00 O ATOM 334 CB LYS A 21 -3.995 -2.083 -11.349 1.00 0.00 C ATOM 335 CG LYS A 21 -5.003 -1.194 -12.080 1.00 0.00 C ATOM 336 CD LYS A 21 -4.812 -1.282 -13.596 1.00 0.00 C ATOM 337 CE LYS A 21 -5.679 -0.249 -14.318 1.00 0.00 C ATOM 338 NZ LYS A 21 -4.879 0.488 -15.322 1.00 0.00 N ATOM 0 H LYS A 21 -2.657 -0.182 -12.233 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.707 -0.705 -9.783 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -3.410 -2.648 -12.074 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.525 -2.808 -10.732 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.017 -1.497 -11.819 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.885 -0.160 -11.754 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.763 -1.119 -13.844 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -5.069 -2.283 -13.941 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -6.517 -0.746 -14.806 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.100 0.450 -13.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -5.483 1.185 -15.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -4.094 0.978 -14.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.498 -0.181 -16.021 1.00 0.00 H new ATOM 351 N THR A 22 -1.994 -1.701 -8.360 1.00 0.00 N ATOM 352 CA THR A 22 -1.118 -2.404 -7.437 1.00 0.00 C ATOM 353 C THR A 22 -1.918 -2.944 -6.250 1.00 0.00 C ATOM 354 O THR A 22 -3.008 -2.456 -5.958 1.00 0.00 O ATOM 355 CB THR A 22 0.004 -1.448 -7.030 1.00 0.00 C ATOM 356 OG1 THR A 22 1.072 -1.767 -7.919 1.00 0.00 O ATOM 357 CG2 THR A 22 0.568 -1.764 -5.643 1.00 0.00 C ATOM 0 H THR A 22 -2.500 -0.915 -7.953 1.00 0.00 H new ATOM 0 HA THR A 22 -0.665 -3.277 -7.907 1.00 0.00 H new ATOM 0 HB THR A 22 -0.369 -0.424 -7.046 1.00 0.00 H new ATOM 0 HG1 THR A 22 1.658 -0.988 -8.019 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.361 -1.056 -5.403 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.226 -1.685 -4.901 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.971 -2.777 -5.636 1.00 0.00 H new ATOM 365 N ILE A 23 -1.344 -3.944 -5.597 1.00 0.00 N ATOM 366 CA ILE A 23 -1.989 -4.555 -4.448 1.00 0.00 C ATOM 367 C ILE A 23 -1.379 -3.988 -3.164 1.00 0.00 C ATOM 368 O ILE A 23 -0.224 -3.565 -3.156 1.00 0.00 O ATOM 369 CB ILE A 23 -1.917 -6.081 -4.541 1.00 0.00 C ATOM 370 CG1 ILE A 23 -1.162 -6.518 -5.798 1.00 0.00 C ATOM 371 CG2 ILE A 23 -3.313 -6.701 -4.467 1.00 0.00 C ATOM 372 CD1 ILE A 23 -1.319 -8.021 -6.037 1.00 0.00 C ATOM 0 H ILE A 23 -0.439 -4.346 -5.842 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.051 -4.309 -4.433 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.355 -6.450 -3.683 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -1.536 -5.968 -6.661 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -0.105 -6.271 -5.696 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -3.233 -7.786 -4.535 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.782 -6.430 -3.521 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.920 -6.329 -5.292 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -0.773 -8.305 -6.936 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.921 -8.569 -5.183 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -2.375 -8.261 -6.163 1.00 0.00 H new ATOM 384 N THR A 24 -2.182 -3.998 -2.110 1.00 0.00 N ATOM 385 CA THR A 24 -1.736 -3.490 -0.824 1.00 0.00 C ATOM 386 C THR A 24 -1.769 -4.600 0.228 1.00 0.00 C ATOM 387 O THR A 24 -2.222 -5.709 -0.049 1.00 0.00 O ATOM 388 CB THR A 24 -2.607 -2.285 -0.464 1.00 0.00 C ATOM 389 OG1 THR A 24 -3.912 -2.834 -0.306 1.00 0.00 O ATOM 390 CG2 THR A 24 -2.755 -1.301 -1.626 1.00 0.00 C ATOM 0 H THR A 24 -3.139 -4.350 -2.121 1.00 0.00 H new ATOM 0 HA THR A 24 -0.699 -3.158 -0.868 1.00 0.00 H new ATOM 0 HB THR A 24 -2.176 -1.770 0.395 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.314 -2.981 -1.188 1.00 0.00 H new ATOM 0 HG21 THR A 24 -3.382 -0.465 -1.317 1.00 0.00 H new ATOM 0 HG22 THR A 24 -1.772 -0.930 -1.916 1.00 0.00 H new ATOM 0 HG23 THR A 24 -3.216 -1.807 -2.474 1.00 0.00 H new ATOM 398 N ILE A 25 -1.283 -4.262 1.413 1.00 0.00 N ATOM 399 CA ILE A 25 -1.251 -5.216 2.509 1.00 0.00 C ATOM 400 C ILE A 25 -1.921 -4.598 3.737 1.00 0.00 C ATOM 401 O ILE A 25 -1.743 -3.414 4.016 1.00 0.00 O ATOM 402 CB ILE A 25 0.181 -5.692 2.763 1.00 0.00 C ATOM 403 CG1 ILE A 25 0.843 -6.157 1.464 1.00 0.00 C ATOM 404 CG2 ILE A 25 0.215 -6.776 3.843 1.00 0.00 C ATOM 405 CD1 ILE A 25 1.666 -5.030 0.836 1.00 0.00 C ATOM 0 H ILE A 25 -0.908 -3.341 1.639 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.819 -6.110 2.253 1.00 0.00 H new ATOM 0 HB ILE A 25 0.761 -4.847 3.136 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.486 -7.014 1.665 1.00 0.00 H new ATOM 0 HG13 ILE A 25 0.079 -6.490 0.761 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.244 -7.097 4.004 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.190 -6.376 4.773 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -0.385 -7.628 3.522 1.00 0.00 H new ATOM 0 HD11 ILE A 25 2.126 -5.386 -0.086 1.00 0.00 H new ATOM 0 HD12 ILE A 25 1.015 -4.184 0.614 1.00 0.00 H new ATOM 0 HD13 ILE A 25 2.444 -4.716 1.532 1.00 0.00 H new ATOM 417 N ARG A 26 -2.678 -5.429 4.439 1.00 0.00 N ATOM 418 CA ARG A 26 -3.376 -4.979 5.632 1.00 0.00 C ATOM 419 C ARG A 26 -3.346 -6.067 6.707 1.00 0.00 C ATOM 420 O ARG A 26 -2.919 -7.191 6.446 1.00 0.00 O ATOM 421 CB ARG A 26 -4.830 -4.622 5.317 1.00 0.00 C ATOM 422 CG ARG A 26 -5.110 -4.732 3.817 1.00 0.00 C ATOM 423 CD ARG A 26 -4.497 -3.555 3.057 1.00 0.00 C ATOM 424 NE ARG A 26 -5.552 -2.819 2.325 1.00 0.00 N ATOM 425 CZ ARG A 26 -5.351 -1.654 1.675 1.00 0.00 C ATOM 426 NH1 ARG A 26 -4.128 -1.080 1.659 1.00 0.00 N ATOM 427 NH2 ARG A 26 -6.366 -1.083 1.054 1.00 0.00 N ATOM 0 H ARG A 26 -2.823 -6.411 4.205 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.866 -4.088 5.998 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -5.498 -5.287 5.865 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -5.041 -3.608 5.656 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -4.702 -5.668 3.435 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -6.186 -4.759 3.645 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -3.992 -2.886 3.753 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -3.743 -3.916 2.358 1.00 0.00 H new ATOM 0 HE ARG A 26 -6.491 -3.218 2.311 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -3.348 -1.528 2.141 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -3.984 -0.199 1.165 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -7.286 -1.523 1.070 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -6.230 -0.202 0.558 1.00 0.00 H new ATOM 440 N ASP A 27 -3.805 -5.695 7.893 1.00 0.00 N ATOM 441 CA ASP A 27 -3.836 -6.626 9.008 1.00 0.00 C ATOM 442 C ASP A 27 -5.285 -7.028 9.291 1.00 0.00 C ATOM 443 O ASP A 27 -6.172 -6.177 9.337 1.00 0.00 O ATOM 444 CB ASP A 27 -3.268 -5.985 10.276 1.00 0.00 C ATOM 445 CG ASP A 27 -3.373 -6.844 11.538 1.00 0.00 C ATOM 446 OD1 ASP A 27 -4.079 -7.863 11.559 1.00 0.00 O ATOM 447 OD2 ASP A 27 -2.684 -6.422 12.543 1.00 0.00 O ATOM 0 H ASP A 27 -4.158 -4.762 8.106 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.233 -7.493 8.740 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -2.219 -5.745 10.105 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -3.786 -5.042 10.452 1.00 0.00 H new ATOM 453 N GLU A 28 -5.481 -8.326 9.473 1.00 0.00 N ATOM 454 CA GLU A 28 -6.807 -8.851 9.750 1.00 0.00 C ATOM 455 C GLU A 28 -7.405 -8.162 10.977 1.00 0.00 C ATOM 456 O GLU A 28 -8.591 -7.835 10.994 1.00 0.00 O ATOM 457 CB GLU A 28 -6.766 -10.369 9.939 1.00 0.00 C ATOM 458 CG GLU A 28 -8.095 -10.888 10.492 1.00 0.00 C ATOM 459 CD GLU A 28 -9.251 -10.554 9.546 1.00 0.00 C ATOM 460 OE1 GLU A 28 -9.101 -10.665 8.321 1.00 0.00 O ATOM 461 OE2 GLU A 28 -10.336 -10.169 10.127 1.00 0.00 O ATOM 0 H GLU A 28 -4.743 -9.029 9.434 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.446 -8.641 8.893 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.551 -10.852 8.986 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.957 -10.633 10.620 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.037 -11.967 10.634 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.283 -10.447 11.471 1.00 0.00 H new ATOM 469 N SER A 29 -6.558 -7.961 11.976 1.00 0.00 N ATOM 470 CA SER A 29 -6.988 -7.316 13.205 1.00 0.00 C ATOM 471 C SER A 29 -7.472 -5.895 12.909 1.00 0.00 C ATOM 472 O SER A 29 -8.125 -5.271 13.744 1.00 0.00 O ATOM 473 CB SER A 29 -5.859 -7.288 14.237 1.00 0.00 C ATOM 474 OG SER A 29 -4.748 -6.515 13.792 1.00 0.00 O ATOM 0 H SER A 29 -5.575 -8.234 11.959 1.00 0.00 H new ATOM 0 HA SER A 29 -7.812 -7.894 13.624 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.235 -6.877 15.174 1.00 0.00 H new ATOM 0 HB3 SER A 29 -5.532 -8.307 14.444 1.00 0.00 H new ATOM 0 HG SER A 29 -3.935 -7.061 13.825 1.00 0.00 H new ATOM 480 N GLU A 30 -7.133 -5.425 11.717 1.00 0.00 N ATOM 481 CA GLU A 30 -7.524 -4.089 11.300 1.00 0.00 C ATOM 482 C GLU A 30 -8.407 -4.160 10.053 1.00 0.00 C ATOM 483 O GLU A 30 -8.706 -3.136 9.441 1.00 0.00 O ATOM 484 CB GLU A 30 -6.296 -3.210 11.054 1.00 0.00 C ATOM 485 CG GLU A 30 -5.883 -2.474 12.330 1.00 0.00 C ATOM 486 CD GLU A 30 -4.463 -1.920 12.208 1.00 0.00 C ATOM 487 OE1 GLU A 30 -3.651 -2.458 11.441 1.00 0.00 O ATOM 488 OE2 GLU A 30 -4.213 -0.891 12.946 1.00 0.00 O ATOM 0 H GLU A 30 -6.592 -5.946 11.027 1.00 0.00 H new ATOM 0 HA GLU A 30 -8.101 -3.632 12.104 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.469 -3.826 10.701 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.513 -2.487 10.267 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -6.580 -1.659 12.525 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.940 -3.153 13.181 1.00 0.00 H new ATOM 496 N SER A 31 -8.801 -5.379 9.714 1.00 0.00 N ATOM 497 CA SER A 31 -9.644 -5.596 8.551 1.00 0.00 C ATOM 498 C SER A 31 -10.706 -4.499 8.462 1.00 0.00 C ATOM 499 O SER A 31 -11.581 -4.405 9.322 1.00 0.00 O ATOM 500 CB SER A 31 -10.307 -6.974 8.601 1.00 0.00 C ATOM 501 OG SER A 31 -11.685 -6.917 8.241 1.00 0.00 O ATOM 0 H SER A 31 -8.552 -6.226 10.224 1.00 0.00 H new ATOM 0 HA SER A 31 -9.016 -5.557 7.661 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.784 -7.653 7.927 1.00 0.00 H new ATOM 0 HB3 SER A 31 -10.211 -7.386 9.606 1.00 0.00 H new ATOM 0 HG SER A 31 -12.072 -7.816 8.284 1.00 0.00 H new ATOM 507 N HIS A 32 -10.595 -3.696 7.414 1.00 0.00 N ATOM 508 CA HIS A 32 -11.535 -2.608 7.201 1.00 0.00 C ATOM 509 C HIS A 32 -12.441 -2.938 6.013 1.00 0.00 C ATOM 510 O HIS A 32 -12.941 -4.056 5.900 1.00 0.00 O ATOM 511 CB HIS A 32 -10.798 -1.278 7.034 1.00 0.00 C ATOM 512 CG HIS A 32 -9.912 -1.216 5.813 1.00 0.00 C ATOM 513 ND1 HIS A 32 -9.169 -0.096 5.482 1.00 0.00 N ATOM 514 CD2 HIS A 32 -9.656 -2.147 4.849 1.00 0.00 C ATOM 515 CE1 HIS A 32 -8.502 -0.352 4.366 1.00 0.00 C ATOM 516 NE2 HIS A 32 -8.805 -1.624 3.976 1.00 0.00 N ATOM 0 H HIS A 32 -9.868 -3.777 6.703 1.00 0.00 H new ATOM 0 HA HIS A 32 -12.172 -2.496 8.078 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -11.531 -0.473 6.980 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -10.190 -1.097 7.921 1.00 0.00 H new ATOM 0 HD1 HIS A 32 -9.140 0.778 6.008 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -10.075 -3.141 4.804 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -7.836 0.327 3.855 1.00 0.00 H new ATOM 524 N PHE A 33 -12.626 -1.944 5.157 1.00 0.00 N ATOM 525 CA PHE A 33 -13.463 -2.114 3.982 1.00 0.00 C ATOM 526 C PHE A 33 -13.111 -3.405 3.240 1.00 0.00 C ATOM 527 O PHE A 33 -12.185 -4.116 3.629 1.00 0.00 O ATOM 528 CB PHE A 33 -13.190 -0.921 3.062 1.00 0.00 C ATOM 529 CG PHE A 33 -13.269 0.436 3.764 1.00 0.00 C ATOM 530 CD1 PHE A 33 -14.469 1.058 3.910 1.00 0.00 C ATOM 531 CD2 PHE A 33 -12.138 1.021 4.242 1.00 0.00 C ATOM 532 CE1 PHE A 33 -14.542 2.318 4.561 1.00 0.00 C ATOM 533 CE2 PHE A 33 -12.210 2.281 4.893 1.00 0.00 C ATOM 534 CZ PHE A 33 -13.411 2.902 5.039 1.00 0.00 C ATOM 0 H PHE A 33 -12.210 -1.018 5.254 1.00 0.00 H new ATOM 0 HA PHE A 33 -14.511 -2.170 4.277 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -12.199 -1.034 2.622 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -13.907 -0.936 2.241 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -15.367 0.594 3.531 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -11.185 0.527 4.126 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -15.495 2.812 4.676 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -11.312 2.746 5.272 1.00 0.00 H new ATOM 0 HZ PHE A 33 -13.466 3.860 5.535 1.00 0.00 H new ATOM 544 N LYS A 34 -13.868 -3.669 2.186 1.00 0.00 N ATOM 545 CA LYS A 34 -13.648 -4.862 1.386 1.00 0.00 C ATOM 546 C LYS A 34 -13.634 -4.482 -0.096 1.00 0.00 C ATOM 547 O LYS A 34 -13.511 -3.307 -0.438 1.00 0.00 O ATOM 548 CB LYS A 34 -14.677 -5.939 1.735 1.00 0.00 C ATOM 549 CG LYS A 34 -16.093 -5.481 1.377 1.00 0.00 C ATOM 550 CD LYS A 34 -16.891 -6.617 0.735 1.00 0.00 C ATOM 551 CE LYS A 34 -17.597 -7.460 1.799 1.00 0.00 C ATOM 552 NZ LYS A 34 -18.879 -7.985 1.278 1.00 0.00 N ATOM 0 H LYS A 34 -14.635 -3.077 1.867 1.00 0.00 H new ATOM 0 HA LYS A 34 -12.675 -5.298 1.613 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -14.442 -6.859 1.199 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -14.623 -6.167 2.799 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -16.605 -5.135 2.275 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -16.043 -4.635 0.692 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -17.627 -6.204 0.045 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -16.224 -7.249 0.149 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -16.955 -8.287 2.101 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -17.779 -6.856 2.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -19.345 -8.555 2.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -19.496 -7.192 1.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -18.698 -8.578 0.443 1.00 0.00 H new ATOM 565 N THR A 35 -13.761 -5.499 -0.936 1.00 0.00 N ATOM 566 CA THR A 35 -13.764 -5.287 -2.373 1.00 0.00 C ATOM 567 C THR A 35 -15.064 -4.607 -2.809 1.00 0.00 C ATOM 568 O THR A 35 -16.110 -4.809 -2.195 1.00 0.00 O ATOM 569 CB THR A 35 -13.528 -6.638 -3.051 1.00 0.00 C ATOM 570 OG1 THR A 35 -12.371 -7.156 -2.400 1.00 0.00 O ATOM 571 CG2 THR A 35 -13.099 -6.492 -4.513 1.00 0.00 C ATOM 0 H THR A 35 -13.863 -6.472 -0.648 1.00 0.00 H new ATOM 0 HA THR A 35 -12.963 -4.612 -2.675 1.00 0.00 H new ATOM 0 HB THR A 35 -14.438 -7.235 -2.997 1.00 0.00 H new ATOM 0 HG1 THR A 35 -12.148 -8.032 -2.778 1.00 0.00 H new ATOM 0 HG21 THR A 35 -12.945 -7.480 -4.947 1.00 0.00 H new ATOM 0 HG22 THR A 35 -13.876 -5.968 -5.070 1.00 0.00 H new ATOM 0 HG23 THR A 35 -12.170 -5.924 -4.565 1.00 0.00 H new ATOM 579 N GLY A 36 -14.955 -3.815 -3.865 1.00 0.00 N ATOM 580 CA GLY A 36 -16.108 -3.105 -4.390 1.00 0.00 C ATOM 581 C GLY A 36 -16.325 -1.786 -3.646 1.00 0.00 C ATOM 582 O GLY A 36 -17.062 -0.919 -4.113 1.00 0.00 O ATOM 0 H GLY A 36 -14.085 -3.649 -4.371 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -15.965 -2.908 -5.453 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -16.997 -3.729 -4.298 1.00 0.00 H new ATOM 586 N ASP A 37 -15.670 -1.676 -2.499 1.00 0.00 N ATOM 587 CA ASP A 37 -15.782 -0.477 -1.686 1.00 0.00 C ATOM 588 C ASP A 37 -14.758 0.555 -2.162 1.00 0.00 C ATOM 589 O ASP A 37 -14.142 0.384 -3.213 1.00 0.00 O ATOM 590 CB ASP A 37 -15.497 -0.782 -0.214 1.00 0.00 C ATOM 591 CG ASP A 37 -16.714 -0.707 0.710 1.00 0.00 C ATOM 592 OD1 ASP A 37 -16.984 -1.634 1.488 1.00 0.00 O ATOM 593 OD2 ASP A 37 -17.409 0.375 0.608 1.00 0.00 O ATOM 0 H ASP A 37 -15.060 -2.397 -2.114 1.00 0.00 H new ATOM 0 HA ASP A 37 -16.798 -0.096 -1.786 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -15.066 -1.781 -0.142 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -14.742 -0.083 0.147 1.00 0.00 H new ATOM 599 N VAL A 38 -14.608 1.604 -1.366 1.00 0.00 N ATOM 600 CA VAL A 38 -13.670 2.664 -1.694 1.00 0.00 C ATOM 601 C VAL A 38 -12.479 2.599 -0.734 1.00 0.00 C ATOM 602 O VAL A 38 -12.633 2.221 0.426 1.00 0.00 O ATOM 603 CB VAL A 38 -14.381 4.018 -1.673 1.00 0.00 C ATOM 604 CG1 VAL A 38 -13.532 5.072 -0.960 1.00 0.00 C ATOM 605 CG2 VAL A 38 -14.741 4.470 -3.089 1.00 0.00 C ATOM 0 H VAL A 38 -15.120 1.742 -0.495 1.00 0.00 H new ATOM 0 HA VAL A 38 -13.282 2.532 -2.704 1.00 0.00 H new ATOM 0 HB VAL A 38 -15.309 3.901 -1.113 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -14.061 6.025 -0.959 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -13.349 4.758 0.068 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -12.581 5.185 -1.480 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -15.245 5.435 -3.046 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -13.832 4.562 -3.684 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -15.402 3.735 -3.548 1.00 0.00 H new ATOM 615 N LEU A 39 -11.320 2.974 -1.255 1.00 0.00 N ATOM 616 CA LEU A 39 -10.104 2.963 -0.459 1.00 0.00 C ATOM 617 C LEU A 39 -9.425 4.330 -0.555 1.00 0.00 C ATOM 618 O LEU A 39 -8.882 4.686 -1.601 1.00 0.00 O ATOM 619 CB LEU A 39 -9.203 1.798 -0.873 1.00 0.00 C ATOM 620 CG LEU A 39 -9.560 0.432 -0.284 1.00 0.00 C ATOM 621 CD1 LEU A 39 -8.803 -0.689 -0.999 1.00 0.00 C ATOM 622 CD2 LEU A 39 -9.326 0.408 1.228 1.00 0.00 C ATOM 0 H LEU A 39 -11.197 3.287 -2.218 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.338 2.796 0.592 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -9.221 1.719 -1.960 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.179 2.038 -0.588 1.00 0.00 H new ATOM 0 HG LEU A 39 -10.623 0.258 -0.448 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -9.075 -1.649 -0.561 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.064 -0.686 -2.057 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.730 -0.531 -0.889 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.588 -0.574 1.621 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.276 0.615 1.437 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -9.947 1.167 1.704 1.00 0.00 H new ATOM 634 N ARG A 40 -9.476 5.060 0.549 1.00 0.00 N ATOM 635 CA ARG A 40 -8.872 6.381 0.602 1.00 0.00 C ATOM 636 C ARG A 40 -7.351 6.265 0.714 1.00 0.00 C ATOM 637 O ARG A 40 -6.839 5.649 1.648 1.00 0.00 O ATOM 638 CB ARG A 40 -9.405 7.183 1.792 1.00 0.00 C ATOM 639 CG ARG A 40 -9.800 8.598 1.366 1.00 0.00 C ATOM 640 CD ARG A 40 -10.227 9.435 2.574 1.00 0.00 C ATOM 641 NE ARG A 40 -10.538 10.817 2.147 1.00 0.00 N ATOM 642 CZ ARG A 40 -11.746 11.216 1.697 1.00 0.00 C ATOM 643 NH1 ARG A 40 -12.769 10.340 1.610 1.00 0.00 N ATOM 644 NH2 ARG A 40 -11.913 12.477 1.342 1.00 0.00 N ATOM 0 H ARG A 40 -9.926 4.762 1.414 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.133 6.902 -0.319 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -10.268 6.674 2.221 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -8.645 7.233 2.571 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.960 9.079 0.865 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -10.616 8.550 0.645 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -11.100 8.986 3.047 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -9.431 9.446 3.319 1.00 0.00 H new ATOM 0 HE ARG A 40 -9.793 11.512 2.196 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -12.632 9.367 1.886 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -13.679 10.651 1.269 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -11.135 13.133 1.410 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -12.820 12.795 1.000 1.00 0.00 H new ATOM 657 N VAL A 41 -6.671 6.866 -0.251 1.00 0.00 N ATOM 658 CA VAL A 41 -5.218 6.838 -0.272 1.00 0.00 C ATOM 659 C VAL A 41 -4.678 8.106 0.391 1.00 0.00 C ATOM 660 O VAL A 41 -5.017 9.216 -0.015 1.00 0.00 O ATOM 661 CB VAL A 41 -4.720 6.655 -1.707 1.00 0.00 C ATOM 662 CG1 VAL A 41 -4.948 5.221 -2.189 1.00 0.00 C ATOM 663 CG2 VAL A 41 -5.382 7.662 -2.650 1.00 0.00 C ATOM 0 H VAL A 41 -7.099 7.375 -1.024 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.844 5.988 0.299 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.647 6.844 -1.715 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.585 5.119 -3.212 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.409 4.529 -1.542 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.013 4.992 -2.157 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.010 7.510 -3.663 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.462 7.519 -2.634 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.145 8.675 -2.325 1.00 0.00 H new ATOM 673 N GLY A 42 -3.847 7.898 1.402 1.00 0.00 N ATOM 674 CA GLY A 42 -3.256 9.011 2.126 1.00 0.00 C ATOM 675 C GLY A 42 -1.763 8.778 2.367 1.00 0.00 C ATOM 676 O GLY A 42 -1.378 7.785 2.982 1.00 0.00 O ATOM 0 H GLY A 42 -3.569 6.976 1.737 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -3.397 9.933 1.561 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.766 9.140 3.080 1.00 0.00 H new ATOM 680 N ARG A 43 -0.963 9.710 1.870 1.00 0.00 N ATOM 681 CA ARG A 43 0.479 9.619 2.023 1.00 0.00 C ATOM 682 C ARG A 43 0.859 9.671 3.505 1.00 0.00 C ATOM 683 O ARG A 43 0.095 10.173 4.328 1.00 0.00 O ATOM 684 CB ARG A 43 1.185 10.756 1.283 1.00 0.00 C ATOM 685 CG ARG A 43 2.597 10.343 0.862 1.00 0.00 C ATOM 686 CD ARG A 43 3.031 11.084 -0.404 1.00 0.00 C ATOM 687 NE ARG A 43 3.581 12.412 -0.050 1.00 0.00 N ATOM 688 CZ ARG A 43 4.009 13.319 -0.953 1.00 0.00 C ATOM 689 NH1 ARG A 43 3.953 13.049 -2.275 1.00 0.00 N ATOM 690 NH2 ARG A 43 4.482 14.474 -0.525 1.00 0.00 N ATOM 0 H ARG A 43 -1.286 10.532 1.361 1.00 0.00 H new ATOM 0 HA ARG A 43 0.799 8.669 1.595 1.00 0.00 H new ATOM 0 HB2 ARG A 43 0.607 11.036 0.403 1.00 0.00 H new ATOM 0 HB3 ARG A 43 1.236 11.636 1.924 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.298 10.555 1.670 1.00 0.00 H new ATOM 0 HG3 ARG A 43 2.628 9.268 0.687 1.00 0.00 H new ATOM 0 HD2 ARG A 43 3.782 10.501 -0.937 1.00 0.00 H new ATOM 0 HD3 ARG A 43 2.181 11.201 -1.076 1.00 0.00 H new ATOM 0 HE ARG A 43 3.640 12.657 0.938 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.585 12.154 -2.598 1.00 0.00 H new ATOM 0 HH12 ARG A 43 4.279 13.740 -2.951 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.520 14.670 0.475 1.00 0.00 H new ATOM 0 HH22 ARG A 43 4.810 15.170 -1.194 1.00 0.00 H new ATOM 813 N CYS A 51 -6.304 11.237 -1.870 1.00 0.00 N ATOM 814 CA CYS A 51 -7.439 11.050 -2.757 1.00 0.00 C ATOM 815 C CYS A 51 -8.135 9.742 -2.378 1.00 0.00 C ATOM 816 O CYS A 51 -7.774 9.106 -1.389 1.00 0.00 O ATOM 817 CB CYS A 51 -7.016 11.066 -4.228 1.00 0.00 C ATOM 818 SG CYS A 51 -6.016 12.559 -4.575 1.00 0.00 S ATOM 0 HA CYS A 51 -8.137 11.879 -2.638 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -6.439 10.170 -4.459 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -7.898 11.052 -4.869 1.00 0.00 H new ATOM 0 HG CYS A 51 -5.535 13.028 -3.462 1.00 0.00 H new ATOM 824 N THR A 52 -9.122 9.378 -3.184 1.00 0.00 N ATOM 825 CA THR A 52 -9.872 8.157 -2.945 1.00 0.00 C ATOM 826 C THR A 52 -9.832 7.256 -4.180 1.00 0.00 C ATOM 827 O THR A 52 -9.706 7.741 -5.304 1.00 0.00 O ATOM 828 CB THR A 52 -11.290 8.548 -2.524 1.00 0.00 C ATOM 829 OG1 THR A 52 -11.110 9.737 -1.759 1.00 0.00 O ATOM 830 CG2 THR A 52 -11.902 7.556 -1.533 1.00 0.00 C ATOM 0 H THR A 52 -9.419 9.908 -4.003 1.00 0.00 H new ATOM 0 HA THR A 52 -9.428 7.571 -2.140 1.00 0.00 H new ATOM 0 HB THR A 52 -11.925 8.616 -3.408 1.00 0.00 H new ATOM 0 HG1 THR A 52 -11.981 10.061 -1.447 1.00 0.00 H new ATOM 0 HG21 THR A 52 -12.908 7.881 -1.267 1.00 0.00 H new ATOM 0 HG22 THR A 52 -11.949 6.567 -1.990 1.00 0.00 H new ATOM 0 HG23 THR A 52 -11.286 7.512 -0.635 1.00 0.00 H new ATOM 838 N ILE A 53 -9.940 5.959 -3.931 1.00 0.00 N ATOM 839 CA ILE A 53 -9.918 4.985 -5.010 1.00 0.00 C ATOM 840 C ILE A 53 -10.876 3.840 -4.677 1.00 0.00 C ATOM 841 O ILE A 53 -11.405 3.771 -3.569 1.00 0.00 O ATOM 842 CB ILE A 53 -8.484 4.527 -5.287 1.00 0.00 C ATOM 843 CG1 ILE A 53 -8.167 3.234 -4.534 1.00 0.00 C ATOM 844 CG2 ILE A 53 -7.482 5.638 -4.968 1.00 0.00 C ATOM 845 CD1 ILE A 53 -6.674 2.908 -4.610 1.00 0.00 C ATOM 0 H ILE A 53 -10.043 5.560 -2.998 1.00 0.00 H new ATOM 0 HA ILE A 53 -10.270 5.435 -5.938 1.00 0.00 H new ATOM 0 HB ILE A 53 -8.394 4.310 -6.351 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -8.469 3.333 -3.491 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -8.745 2.412 -4.957 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -6.471 5.286 -5.174 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -7.696 6.509 -5.587 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -7.564 5.911 -3.916 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -6.475 1.984 -4.067 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -6.381 2.786 -5.653 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -6.101 3.721 -4.165 1.00 0.00 H new ATOM 857 N GLU A 54 -11.070 2.970 -5.657 1.00 0.00 N ATOM 858 CA GLU A 54 -11.956 1.831 -5.483 1.00 0.00 C ATOM 859 C GLU A 54 -11.159 0.527 -5.532 1.00 0.00 C ATOM 860 O GLU A 54 -10.123 0.452 -6.193 1.00 0.00 O ATOM 861 CB GLU A 54 -13.068 1.835 -6.534 1.00 0.00 C ATOM 862 CG GLU A 54 -14.378 1.306 -5.947 1.00 0.00 C ATOM 863 CD GLU A 54 -15.554 1.597 -6.882 1.00 0.00 C ATOM 864 OE1 GLU A 54 -15.650 0.997 -7.963 1.00 0.00 O ATOM 865 OE2 GLU A 54 -16.388 2.482 -6.451 1.00 0.00 O ATOM 0 H GLU A 54 -10.629 3.031 -6.575 1.00 0.00 H new ATOM 0 HA GLU A 54 -12.428 1.909 -4.504 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -13.216 2.848 -6.909 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -12.772 1.221 -7.384 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -14.298 0.232 -5.780 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -14.558 1.767 -4.976 1.00 0.00 H new ATOM 873 N VAL A 55 -11.671 -0.470 -4.825 1.00 0.00 N ATOM 874 CA VAL A 55 -11.020 -1.768 -4.781 1.00 0.00 C ATOM 875 C VAL A 55 -11.288 -2.514 -6.089 1.00 0.00 C ATOM 876 O VAL A 55 -12.291 -2.264 -6.756 1.00 0.00 O ATOM 877 CB VAL A 55 -11.482 -2.543 -3.545 1.00 0.00 C ATOM 878 CG1 VAL A 55 -10.346 -3.394 -2.975 1.00 0.00 C ATOM 879 CG2 VAL A 55 -12.045 -1.597 -2.483 1.00 0.00 C ATOM 0 H VAL A 55 -12.529 -0.405 -4.278 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.940 -1.650 -4.690 1.00 0.00 H new ATOM 0 HB VAL A 55 -12.283 -3.216 -3.852 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -10.701 -3.934 -2.097 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -10.012 -4.106 -3.729 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.515 -2.748 -2.692 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -12.366 -2.174 -1.615 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -11.274 -0.888 -2.182 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -12.897 -1.055 -2.894 1.00 0.00 H new ATOM 889 N THR A 56 -10.373 -3.414 -6.418 1.00 0.00 N ATOM 890 CA THR A 56 -10.499 -4.198 -7.636 1.00 0.00 C ATOM 891 C THR A 56 -10.477 -5.693 -7.312 1.00 0.00 C ATOM 892 O THR A 56 -11.239 -6.468 -7.888 1.00 0.00 O ATOM 893 CB THR A 56 -9.385 -3.767 -8.592 1.00 0.00 C ATOM 894 OG1 THR A 56 -9.510 -4.661 -9.695 1.00 0.00 O ATOM 895 CG2 THR A 56 -7.990 -4.056 -8.035 1.00 0.00 C ATOM 0 H THR A 56 -9.542 -3.618 -5.863 1.00 0.00 H new ATOM 0 HA THR A 56 -11.456 -4.018 -8.126 1.00 0.00 H new ATOM 0 HB THR A 56 -9.478 -2.701 -8.801 1.00 0.00 H new ATOM 0 HG1 THR A 56 -8.826 -4.452 -10.365 1.00 0.00 H new ATOM 0 HG21 THR A 56 -7.237 -3.731 -8.753 1.00 0.00 H new ATOM 0 HG22 THR A 56 -7.854 -3.517 -7.097 1.00 0.00 H new ATOM 0 HG23 THR A 56 -7.884 -5.126 -7.857 1.00 0.00 H new ATOM 903 N ALA A 57 -9.595 -6.054 -6.391 1.00 0.00 N ATOM 904 CA ALA A 57 -9.464 -7.442 -5.984 1.00 0.00 C ATOM 905 C ALA A 57 -8.785 -7.506 -4.614 1.00 0.00 C ATOM 906 O ALA A 57 -8.278 -6.499 -4.121 1.00 0.00 O ATOM 907 CB ALA A 57 -8.691 -8.217 -7.053 1.00 0.00 C ATOM 0 H ALA A 57 -8.964 -5.409 -5.915 1.00 0.00 H new ATOM 0 HA ALA A 57 -10.445 -7.907 -5.888 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -8.593 -9.259 -6.747 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -9.229 -8.166 -8.000 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -7.700 -7.779 -7.174 1.00 0.00 H new ATOM 913 N THR A 58 -8.799 -8.698 -4.037 1.00 0.00 N ATOM 914 CA THR A 58 -8.191 -8.906 -2.733 1.00 0.00 C ATOM 915 C THR A 58 -7.637 -10.328 -2.624 1.00 0.00 C ATOM 916 O THR A 58 -8.169 -11.254 -3.235 1.00 0.00 O ATOM 917 CB THR A 58 -9.238 -8.577 -1.667 1.00 0.00 C ATOM 918 OG1 THR A 58 -9.098 -7.174 -1.464 1.00 0.00 O ATOM 919 CG2 THR A 58 -8.896 -9.186 -0.305 1.00 0.00 C ATOM 0 H THR A 58 -9.222 -9.530 -4.448 1.00 0.00 H new ATOM 0 HA THR A 58 -7.336 -8.246 -2.584 1.00 0.00 H new ATOM 0 HB THR A 58 -10.214 -8.938 -1.992 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.748 -6.759 -2.280 1.00 0.00 H new ATOM 0 HG21 THR A 58 -9.670 -8.923 0.416 1.00 0.00 H new ATOM 0 HG22 THR A 58 -8.838 -10.271 -0.396 1.00 0.00 H new ATOM 0 HG23 THR A 58 -7.936 -8.799 0.036 1.00 0.00 H new ATOM 927 N SER A 59 -6.576 -10.456 -1.841 1.00 0.00 N ATOM 928 CA SER A 59 -5.944 -11.749 -1.643 1.00 0.00 C ATOM 929 C SER A 59 -5.170 -11.758 -0.323 1.00 0.00 C ATOM 930 O SER A 59 -4.961 -10.709 0.284 1.00 0.00 O ATOM 931 CB SER A 59 -5.012 -12.091 -2.807 1.00 0.00 C ATOM 932 OG SER A 59 -4.794 -10.972 -3.662 1.00 0.00 O ATOM 0 H SER A 59 -6.138 -9.685 -1.336 1.00 0.00 H new ATOM 0 HA SER A 59 -6.725 -12.508 -1.603 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.056 -12.440 -2.416 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.439 -12.911 -3.385 1.00 0.00 H new ATOM 0 HG SER A 59 -4.193 -11.230 -4.392 1.00 0.00 H new ATOM 938 N THR A 60 -4.766 -12.953 0.082 1.00 0.00 N ATOM 939 CA THR A 60 -4.020 -13.111 1.318 1.00 0.00 C ATOM 940 C THR A 60 -2.582 -13.540 1.022 1.00 0.00 C ATOM 941 O THR A 60 -2.344 -14.662 0.578 1.00 0.00 O ATOM 942 CB THR A 60 -4.779 -14.100 2.205 1.00 0.00 C ATOM 943 OG1 THR A 60 -5.487 -14.922 1.282 1.00 0.00 O ATOM 944 CG2 THR A 60 -5.881 -13.426 3.024 1.00 0.00 C ATOM 0 H THR A 60 -4.941 -13.821 -0.424 1.00 0.00 H new ATOM 0 HA THR A 60 -3.940 -12.166 1.855 1.00 0.00 H new ATOM 0 HB THR A 60 -4.078 -14.595 2.877 1.00 0.00 H new ATOM 0 HG1 THR A 60 -6.005 -15.594 1.773 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.388 -14.172 3.636 1.00 0.00 H new ATOM 0 HG22 THR A 60 -5.441 -12.666 3.670 1.00 0.00 H new ATOM 0 HG23 THR A 60 -6.600 -12.959 2.351 1.00 0.00 H new ATOM 952 N VAL A 61 -1.660 -12.624 1.280 1.00 0.00 N ATOM 953 CA VAL A 61 -0.251 -12.894 1.046 1.00 0.00 C ATOM 954 C VAL A 61 0.593 -11.964 1.919 1.00 0.00 C ATOM 955 O VAL A 61 0.065 -11.050 2.551 1.00 0.00 O ATOM 956 CB VAL A 61 0.066 -12.765 -0.445 1.00 0.00 C ATOM 957 CG1 VAL A 61 1.025 -13.868 -0.899 1.00 0.00 C ATOM 958 CG2 VAL A 61 -1.216 -12.775 -1.281 1.00 0.00 C ATOM 0 H VAL A 61 -1.861 -11.694 1.649 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.006 -13.918 1.329 1.00 0.00 H new ATOM 0 HB VAL A 61 0.560 -11.806 -0.601 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.234 -13.753 -1.963 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.956 -13.795 -0.336 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.569 -14.842 -0.722 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.962 -12.682 -2.337 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.750 -13.711 -1.117 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.850 -11.939 -0.985 1.00 0.00 H new ATOM 968 N THR A 62 1.892 -12.228 1.926 1.00 0.00 N ATOM 969 CA THR A 62 2.814 -11.426 2.711 1.00 0.00 C ATOM 970 C THR A 62 2.918 -10.013 2.132 1.00 0.00 C ATOM 971 O THR A 62 1.987 -9.532 1.488 1.00 0.00 O ATOM 972 CB THR A 62 4.155 -12.161 2.762 1.00 0.00 C ATOM 973 OG1 THR A 62 3.793 -13.539 2.793 1.00 0.00 O ATOM 974 CG2 THR A 62 4.894 -11.940 4.083 1.00 0.00 C ATOM 0 H THR A 62 2.327 -12.986 1.400 1.00 0.00 H new ATOM 0 HA THR A 62 2.457 -11.300 3.733 1.00 0.00 H new ATOM 0 HB THR A 62 4.783 -11.829 1.935 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.603 -14.089 2.825 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.839 -12.483 4.067 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.089 -10.876 4.217 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.281 -12.303 4.908 1.00 0.00 H new ATOM 982 N LEU A 63 4.059 -9.388 2.383 1.00 0.00 N ATOM 983 CA LEU A 63 4.297 -8.040 1.895 1.00 0.00 C ATOM 984 C LEU A 63 5.171 -8.103 0.641 1.00 0.00 C ATOM 985 O LEU A 63 4.692 -7.862 -0.466 1.00 0.00 O ATOM 986 CB LEU A 63 4.878 -7.163 3.006 1.00 0.00 C ATOM 987 CG LEU A 63 6.020 -7.777 3.818 1.00 0.00 C ATOM 988 CD1 LEU A 63 7.324 -7.006 3.601 1.00 0.00 C ATOM 989 CD2 LEU A 63 5.650 -7.873 5.300 1.00 0.00 C ATOM 0 H LEU A 63 4.829 -9.790 2.918 1.00 0.00 H new ATOM 0 HA LEU A 63 3.358 -7.568 1.606 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.234 -6.235 2.560 1.00 0.00 H new ATOM 0 HB3 LEU A 63 4.073 -6.899 3.691 1.00 0.00 H new ATOM 0 HG LEU A 63 6.184 -8.794 3.461 1.00 0.00 H new ATOM 0 HD11 LEU A 63 8.119 -7.463 4.190 1.00 0.00 H new ATOM 0 HD12 LEU A 63 7.592 -7.034 2.545 1.00 0.00 H new ATOM 0 HD13 LEU A 63 7.191 -5.970 3.914 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.479 -8.313 5.854 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.442 -6.876 5.688 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.765 -8.499 5.414 1.00 0.00 H new ATOM 1001 N ASP A 64 6.437 -8.429 0.856 1.00 0.00 N ATOM 1002 CA ASP A 64 7.382 -8.526 -0.243 1.00 0.00 C ATOM 1003 C ASP A 64 6.866 -9.541 -1.265 1.00 0.00 C ATOM 1004 O ASP A 64 7.414 -9.658 -2.360 1.00 0.00 O ATOM 1005 CB ASP A 64 8.750 -9.004 0.248 1.00 0.00 C ATOM 1006 CG ASP A 64 9.949 -8.357 -0.448 1.00 0.00 C ATOM 1007 OD1 ASP A 64 9.792 -7.456 -1.285 1.00 0.00 O ATOM 1008 OD2 ASP A 64 11.100 -8.820 -0.094 1.00 0.00 O ATOM 0 H ASP A 64 6.830 -8.629 1.776 1.00 0.00 H new ATOM 0 HA ASP A 64 7.484 -7.537 -0.689 1.00 0.00 H new ATOM 0 HB2 ASP A 64 8.823 -8.811 1.318 1.00 0.00 H new ATOM 0 HB3 ASP A 64 8.810 -10.084 0.114 1.00 0.00 H new ATOM 1014 N THR A 65 5.817 -10.248 -0.872 1.00 0.00 N ATOM 1015 CA THR A 65 5.220 -11.248 -1.740 1.00 0.00 C ATOM 1016 C THR A 65 4.475 -10.576 -2.895 1.00 0.00 C ATOM 1017 O THR A 65 3.983 -11.251 -3.798 1.00 0.00 O ATOM 1018 CB THR A 65 4.327 -12.147 -0.882 1.00 0.00 C ATOM 1019 OG1 THR A 65 3.784 -11.265 0.096 1.00 0.00 O ATOM 1020 CG2 THR A 65 5.130 -13.161 -0.065 1.00 0.00 C ATOM 0 H THR A 65 5.365 -10.148 0.037 1.00 0.00 H new ATOM 0 HA THR A 65 5.982 -11.872 -2.206 1.00 0.00 H new ATOM 0 HB THR A 65 3.621 -12.675 -1.523 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.302 -10.538 -0.351 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.449 -13.774 0.526 1.00 0.00 H new ATOM 0 HG22 THR A 65 5.701 -13.800 -0.738 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.813 -12.633 0.601 1.00 0.00 H new ATOM 1028 N LEU A 66 4.415 -9.254 -2.828 1.00 0.00 N ATOM 1029 CA LEU A 66 3.738 -8.483 -3.857 1.00 0.00 C ATOM 1030 C LEU A 66 3.988 -6.992 -3.618 1.00 0.00 C ATOM 1031 O LEU A 66 4.214 -6.238 -4.563 1.00 0.00 O ATOM 1032 CB LEU A 66 2.256 -8.856 -3.918 1.00 0.00 C ATOM 1033 CG LEU A 66 1.441 -8.574 -2.654 1.00 0.00 C ATOM 1034 CD1 LEU A 66 1.218 -7.072 -2.468 1.00 0.00 C ATOM 1035 CD2 LEU A 66 0.123 -9.352 -2.667 1.00 0.00 C ATOM 0 H LEU A 66 4.824 -8.697 -2.077 1.00 0.00 H new ATOM 0 HA LEU A 66 4.143 -8.721 -4.840 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.800 -8.317 -4.748 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.178 -9.919 -4.147 1.00 0.00 H new ATOM 0 HG LEU A 66 2.013 -8.923 -1.794 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.636 -6.900 -1.562 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.181 -6.569 -2.382 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.677 -6.675 -3.327 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.437 -9.134 -1.758 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.466 -9.056 -3.536 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.332 -10.421 -2.717 1.00 0.00 H new ATOM 1047 N THR A 67 3.938 -6.612 -2.350 1.00 0.00 N ATOM 1048 CA THR A 67 4.157 -5.225 -1.975 1.00 0.00 C ATOM 1049 C THR A 67 5.333 -4.640 -2.758 1.00 0.00 C ATOM 1050 O THR A 67 6.232 -5.370 -3.174 1.00 0.00 O ATOM 1051 CB THR A 67 4.348 -5.170 -0.459 1.00 0.00 C ATOM 1052 OG1 THR A 67 3.901 -3.866 -0.099 1.00 0.00 O ATOM 1053 CG2 THR A 67 5.824 -5.182 -0.054 1.00 0.00 C ATOM 0 H THR A 67 3.749 -7.240 -1.569 1.00 0.00 H new ATOM 0 HA THR A 67 3.298 -4.605 -2.231 1.00 0.00 H new ATOM 0 HB THR A 67 3.838 -6.016 0.001 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.270 -3.623 0.776 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.904 -5.141 1.032 1.00 0.00 H new ATOM 0 HG22 THR A 67 6.294 -6.096 -0.418 1.00 0.00 H new ATOM 0 HG23 THR A 67 6.327 -4.318 -0.487 1.00 0.00 H new ATOM 1061 N GLU A 68 5.291 -3.328 -2.936 1.00 0.00 N ATOM 1062 CA GLU A 68 6.342 -2.636 -3.662 1.00 0.00 C ATOM 1063 C GLU A 68 7.716 -3.057 -3.135 1.00 0.00 C ATOM 1064 O GLU A 68 8.715 -2.951 -3.844 1.00 0.00 O ATOM 1065 CB GLU A 68 6.162 -1.119 -3.574 1.00 0.00 C ATOM 1066 CG GLU A 68 5.413 -0.585 -4.796 1.00 0.00 C ATOM 1067 CD GLU A 68 6.329 0.281 -5.665 1.00 0.00 C ATOM 1068 OE1 GLU A 68 6.763 1.357 -5.227 1.00 0.00 O ATOM 1069 OE2 GLU A 68 6.586 -0.201 -6.834 1.00 0.00 O ATOM 0 H GLU A 68 4.545 -2.725 -2.590 1.00 0.00 H new ATOM 0 HA GLU A 68 6.276 -2.916 -4.713 1.00 0.00 H new ATOM 0 HB2 GLU A 68 5.613 -0.866 -2.667 1.00 0.00 H new ATOM 0 HB3 GLU A 68 7.137 -0.637 -3.501 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.029 -1.418 -5.384 1.00 0.00 H new ATOM 0 HG3 GLU A 68 4.552 0.000 -4.472 1.00 0.00 H new ATOM 1077 N LYS A 69 7.721 -3.524 -1.895 1.00 0.00 N ATOM 1078 CA LYS A 69 8.955 -3.961 -1.265 1.00 0.00 C ATOM 1079 C LYS A 69 9.710 -4.888 -2.221 1.00 0.00 C ATOM 1080 O LYS A 69 10.940 -4.914 -2.224 1.00 0.00 O ATOM 1081 CB LYS A 69 8.667 -4.589 0.100 1.00 0.00 C ATOM 1082 CG LYS A 69 9.961 -4.813 0.885 1.00 0.00 C ATOM 1083 CD LYS A 69 9.818 -5.988 1.854 1.00 0.00 C ATOM 1084 CE LYS A 69 11.165 -6.341 2.490 1.00 0.00 C ATOM 1085 NZ LYS A 69 10.966 -7.193 3.684 1.00 0.00 N ATOM 0 H LYS A 69 6.890 -3.609 -1.310 1.00 0.00 H new ATOM 0 HA LYS A 69 9.604 -3.108 -1.067 1.00 0.00 H new ATOM 0 HB2 LYS A 69 8.000 -3.941 0.669 1.00 0.00 H new ATOM 0 HB3 LYS A 69 8.150 -5.539 -0.035 1.00 0.00 H new ATOM 0 HG2 LYS A 69 10.781 -5.005 0.194 1.00 0.00 H new ATOM 0 HG3 LYS A 69 10.216 -3.909 1.439 1.00 0.00 H new ATOM 0 HD2 LYS A 69 9.099 -5.736 2.633 1.00 0.00 H new ATOM 0 HD3 LYS A 69 9.423 -6.855 1.324 1.00 0.00 H new ATOM 0 HE2 LYS A 69 11.791 -6.861 1.765 1.00 0.00 H new ATOM 0 HE3 LYS A 69 11.692 -5.429 2.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 11.871 -7.630 3.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 10.615 -6.611 4.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 10.273 -7.938 3.468 1.00 0.00 H new ATOM 1098 N HIS A 70 8.942 -5.626 -3.008 1.00 0.00 N ATOM 1099 CA HIS A 70 9.523 -6.551 -3.966 1.00 0.00 C ATOM 1100 C HIS A 70 10.248 -5.768 -5.062 1.00 0.00 C ATOM 1101 O HIS A 70 11.430 -5.997 -5.315 1.00 0.00 O ATOM 1102 CB HIS A 70 8.458 -7.499 -4.521 1.00 0.00 C ATOM 1103 CG HIS A 70 8.770 -8.035 -5.898 1.00 0.00 C ATOM 1104 ND1 HIS A 70 9.734 -9.001 -6.125 1.00 0.00 N ATOM 1105 CD2 HIS A 70 8.234 -7.731 -7.115 1.00 0.00 C ATOM 1106 CE1 HIS A 70 9.770 -9.259 -7.424 1.00 0.00 C ATOM 1107 NE2 HIS A 70 8.840 -8.471 -8.036 1.00 0.00 N ATOM 0 H HIS A 70 7.922 -5.602 -3.002 1.00 0.00 H new ATOM 0 HA HIS A 70 10.261 -7.179 -3.468 1.00 0.00 H new ATOM 0 HB2 HIS A 70 8.339 -8.337 -3.834 1.00 0.00 H new ATOM 0 HB3 HIS A 70 7.502 -6.976 -4.554 1.00 0.00 H new ATOM 0 HD2 HIS A 70 7.450 -7.011 -7.298 1.00 0.00 H new ATOM 0 HE1 HIS A 70 10.421 -9.969 -7.913 1.00 0.00 H new ATOM 0 HE2 HIS A 70 8.643 -8.453 -9.037 1.00 0.00 H new ATOM 1115 N ALA A 71 9.510 -4.860 -5.683 1.00 0.00 N ATOM 1116 CA ALA A 71 10.068 -4.041 -6.746 1.00 0.00 C ATOM 1117 C ALA A 71 11.297 -3.298 -6.220 1.00 0.00 C ATOM 1118 O ALA A 71 12.286 -3.142 -6.935 1.00 0.00 O ATOM 1119 CB ALA A 71 8.993 -3.089 -7.274 1.00 0.00 C ATOM 0 H ALA A 71 8.530 -4.673 -5.470 1.00 0.00 H new ATOM 0 HA ALA A 71 10.391 -4.663 -7.580 1.00 0.00 H new ATOM 0 HB1 ALA A 71 9.411 -2.474 -8.071 1.00 0.00 H new ATOM 0 HB2 ALA A 71 8.155 -3.667 -7.663 1.00 0.00 H new ATOM 0 HB3 ALA A 71 8.647 -2.447 -6.464 1.00 0.00 H new ATOM 1125 N GLU A 72 11.196 -2.860 -4.973 1.00 0.00 N ATOM 1126 CA GLU A 72 12.288 -2.138 -4.343 1.00 0.00 C ATOM 1127 C GLU A 72 13.466 -3.079 -4.082 1.00 0.00 C ATOM 1128 O GLU A 72 14.615 -2.729 -4.348 1.00 0.00 O ATOM 1129 CB GLU A 72 11.826 -1.466 -3.049 1.00 0.00 C ATOM 1130 CG GLU A 72 12.355 -0.033 -2.956 1.00 0.00 C ATOM 1131 CD GLU A 72 11.410 0.848 -2.136 1.00 0.00 C ATOM 1132 OE1 GLU A 72 10.285 0.430 -1.827 1.00 0.00 O ATOM 1133 OE2 GLU A 72 11.883 2.006 -1.818 1.00 0.00 O ATOM 0 H GLU A 72 10.375 -2.991 -4.383 1.00 0.00 H new ATOM 0 HA GLU A 72 12.619 -1.353 -5.023 1.00 0.00 H new ATOM 0 HB2 GLU A 72 10.737 -1.459 -3.008 1.00 0.00 H new ATOM 0 HB3 GLU A 72 12.174 -2.042 -2.192 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.344 -0.036 -2.498 1.00 0.00 H new ATOM 0 HG3 GLU A 72 12.468 0.382 -3.957 1.00 0.00 H new ATOM 1141 N GLN A 73 13.140 -4.254 -3.564 1.00 0.00 N ATOM 1142 CA GLN A 73 14.157 -5.247 -3.264 1.00 0.00 C ATOM 1143 C GLN A 73 15.058 -5.469 -4.481 1.00 0.00 C ATOM 1144 O GLN A 73 16.257 -5.705 -4.335 1.00 0.00 O ATOM 1145 CB GLN A 73 13.521 -6.562 -2.806 1.00 0.00 C ATOM 1146 CG GLN A 73 14.322 -7.189 -1.663 1.00 0.00 C ATOM 1147 CD GLN A 73 14.964 -8.507 -2.102 1.00 0.00 C ATOM 1148 OE1 GLN A 73 16.148 -8.587 -2.382 1.00 0.00 O ATOM 1149 NE2 GLN A 73 14.118 -9.532 -2.145 1.00 0.00 N ATOM 0 H GLN A 73 12.186 -4.541 -3.344 1.00 0.00 H new ATOM 0 HA GLN A 73 14.771 -4.873 -2.445 1.00 0.00 H new ATOM 0 HB2 GLN A 73 12.497 -6.381 -2.480 1.00 0.00 H new ATOM 0 HB3 GLN A 73 13.471 -7.257 -3.644 1.00 0.00 H new ATOM 0 HG2 GLN A 73 15.096 -6.496 -1.333 1.00 0.00 H new ATOM 0 HG3 GLN A 73 13.667 -7.366 -0.810 1.00 0.00 H new ATOM 0 HE21 GLN A 73 13.138 -9.395 -1.897 1.00 0.00 H new ATOM 0 HE22 GLN A 73 14.449 -10.455 -2.426 1.00 0.00 H new ATOM 1158 N GLU A 74 14.447 -5.385 -5.653 1.00 0.00 N ATOM 1159 CA GLU A 74 15.179 -5.573 -6.894 1.00 0.00 C ATOM 1160 C GLU A 74 15.523 -4.219 -7.518 1.00 0.00 C ATOM 1161 O GLU A 74 15.646 -4.106 -8.737 1.00 0.00 O ATOM 1162 CB GLU A 74 14.386 -6.442 -7.872 1.00 0.00 C ATOM 1163 CG GLU A 74 14.828 -7.904 -7.791 1.00 0.00 C ATOM 1164 CD GLU A 74 15.376 -8.387 -9.135 1.00 0.00 C ATOM 1165 OE1 GLU A 74 14.935 -7.910 -10.192 1.00 0.00 O ATOM 1166 OE2 GLU A 74 16.294 -9.290 -9.057 1.00 0.00 O ATOM 0 H GLU A 74 13.453 -5.189 -5.770 1.00 0.00 H new ATOM 0 HA GLU A 74 16.110 -6.094 -6.669 1.00 0.00 H new ATOM 0 HB2 GLU A 74 13.322 -6.368 -7.649 1.00 0.00 H new ATOM 0 HB3 GLU A 74 14.526 -6.072 -8.888 1.00 0.00 H new ATOM 0 HG2 GLU A 74 15.592 -8.014 -7.022 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.984 -8.527 -7.493 1.00 0.00 H new ATOM 1174 N ASN A 75 15.669 -3.225 -6.654 1.00 0.00 N ATOM 1175 CA ASN A 75 15.997 -1.884 -7.105 1.00 0.00 C ATOM 1176 C ASN A 75 16.846 -1.185 -6.040 1.00 0.00 C ATOM 1177 O ASN A 75 17.974 -0.777 -6.310 1.00 0.00 O ATOM 1178 CB ASN A 75 14.732 -1.051 -7.322 1.00 0.00 C ATOM 1179 CG ASN A 75 14.850 -0.192 -8.582 1.00 0.00 C ATOM 1180 OD1 ASN A 75 15.814 -0.266 -9.327 1.00 0.00 O ATOM 1181 ND2 ASN A 75 13.820 0.625 -8.779 1.00 0.00 N ATOM 0 H ASN A 75 15.566 -3.322 -5.644 1.00 0.00 H new ATOM 0 HA ASN A 75 16.540 -1.969 -8.047 1.00 0.00 H new ATOM 0 HB2 ASN A 75 13.868 -1.710 -7.407 1.00 0.00 H new ATOM 0 HB3 ASN A 75 14.561 -0.411 -6.456 1.00 0.00 H new ATOM 0 HD21 ASN A 75 13.805 1.240 -9.593 1.00 0.00 H new ATOM 0 HD22 ASN A 75 13.045 0.637 -8.116 1.00 0.00 H new ATOM 1188 N MET A 76 16.270 -1.070 -4.853 1.00 0.00 N ATOM 1189 CA MET A 76 16.959 -0.428 -3.746 1.00 0.00 C ATOM 1190 C MET A 76 17.758 -1.448 -2.932 1.00 0.00 C ATOM 1191 O MET A 76 17.724 -2.643 -3.222 1.00 0.00 O ATOM 1192 CB MET A 76 15.938 0.262 -2.839 1.00 0.00 C ATOM 1193 CG MET A 76 15.039 1.204 -3.643 1.00 0.00 C ATOM 1194 SD MET A 76 16.038 2.359 -4.568 1.00 0.00 S ATOM 1195 CE MET A 76 15.538 1.938 -6.230 1.00 0.00 C ATOM 0 H MET A 76 15.334 -1.410 -4.633 1.00 0.00 H new ATOM 0 HA MET A 76 17.652 0.308 -4.153 1.00 0.00 H new ATOM 0 HB2 MET A 76 15.328 -0.488 -2.336 1.00 0.00 H new ATOM 0 HB3 MET A 76 16.457 0.824 -2.062 1.00 0.00 H new ATOM 0 HG2 MET A 76 14.410 0.628 -4.323 1.00 0.00 H new ATOM 0 HG3 MET A 76 14.371 1.744 -2.972 1.00 0.00 H new ATOM 0 HE1 MET A 76 15.522 2.838 -6.844 1.00 0.00 H new ATOM 0 HE2 MET A 76 16.244 1.223 -6.652 1.00 0.00 H new ATOM 0 HE3 MET A 76 14.542 1.496 -6.209 1.00 0.00 H new ATOM 1205 N THR A 77 18.459 -0.938 -1.930 1.00 0.00 N ATOM 1206 CA THR A 77 19.265 -1.790 -1.072 1.00 0.00 C ATOM 1207 C THR A 77 18.462 -2.224 0.156 1.00 0.00 C ATOM 1208 O THR A 77 17.358 -1.733 0.385 1.00 0.00 O ATOM 1209 CB THR A 77 20.547 -1.031 -0.722 1.00 0.00 C ATOM 1210 OG1 THR A 77 21.262 -1.928 0.123 1.00 0.00 O ATOM 1211 CG2 THR A 77 20.282 0.186 0.167 1.00 0.00 C ATOM 0 H THR A 77 18.486 0.054 -1.693 1.00 0.00 H new ATOM 0 HA THR A 77 19.544 -2.712 -1.581 1.00 0.00 H new ATOM 0 HB THR A 77 21.041 -0.711 -1.639 1.00 0.00 H new ATOM 0 HG1 THR A 77 22.108 -1.516 0.396 1.00 0.00 H new ATOM 0 HG21 THR A 77 21.224 0.689 0.386 1.00 0.00 H new ATOM 0 HG22 THR A 77 19.614 0.875 -0.350 1.00 0.00 H new ATOM 0 HG23 THR A 77 19.819 -0.138 1.099 1.00 0.00 H new ATOM 1219 N LEU A 78 19.047 -3.141 0.913 1.00 0.00 N ATOM 1220 CA LEU A 78 18.400 -3.647 2.111 1.00 0.00 C ATOM 1221 C LEU A 78 18.034 -2.473 3.022 1.00 0.00 C ATOM 1222 O LEU A 78 16.979 -2.479 3.655 1.00 0.00 O ATOM 1223 CB LEU A 78 19.276 -4.702 2.789 1.00 0.00 C ATOM 1224 CG LEU A 78 18.679 -6.107 2.889 1.00 0.00 C ATOM 1225 CD1 LEU A 78 19.067 -6.955 1.676 1.00 0.00 C ATOM 1226 CD2 LEU A 78 19.071 -6.777 4.207 1.00 0.00 C ATOM 0 H LEU A 78 19.963 -3.547 0.719 1.00 0.00 H new ATOM 0 HA LEU A 78 17.470 -4.155 1.856 1.00 0.00 H new ATOM 0 HB2 LEU A 78 20.218 -4.767 2.245 1.00 0.00 H new ATOM 0 HB3 LEU A 78 19.512 -4.357 3.796 1.00 0.00 H new ATOM 0 HG LEU A 78 17.593 -6.018 2.885 1.00 0.00 H new ATOM 0 HD11 LEU A 78 18.630 -7.949 1.772 1.00 0.00 H new ATOM 0 HD12 LEU A 78 18.696 -6.481 0.767 1.00 0.00 H new ATOM 0 HD13 LEU A 78 20.152 -7.040 1.623 1.00 0.00 H new ATOM 0 HD21 LEU A 78 18.634 -7.774 4.252 1.00 0.00 H new ATOM 0 HD22 LEU A 78 20.157 -6.854 4.267 1.00 0.00 H new ATOM 0 HD23 LEU A 78 18.703 -6.181 5.042 1.00 0.00 H new ATOM 1238 N THR A 79 18.926 -1.494 3.059 1.00 0.00 N ATOM 1239 CA THR A 79 18.710 -0.316 3.882 1.00 0.00 C ATOM 1240 C THR A 79 17.384 0.354 3.518 1.00 0.00 C ATOM 1241 O THR A 79 16.513 0.520 4.370 1.00 0.00 O ATOM 1242 CB THR A 79 19.921 0.604 3.717 1.00 0.00 C ATOM 1243 OG1 THR A 79 20.707 0.356 4.880 1.00 0.00 O ATOM 1244 CG2 THR A 79 19.551 2.084 3.827 1.00 0.00 C ATOM 0 H THR A 79 19.800 -1.492 2.533 1.00 0.00 H new ATOM 0 HA THR A 79 18.625 -0.580 4.936 1.00 0.00 H new ATOM 0 HB THR A 79 20.389 0.417 2.750 1.00 0.00 H new ATOM 0 HG1 THR A 79 21.514 0.911 4.854 1.00 0.00 H new ATOM 0 HG21 THR A 79 20.446 2.693 3.703 1.00 0.00 H new ATOM 0 HG22 THR A 79 18.829 2.337 3.051 1.00 0.00 H new ATOM 0 HG23 THR A 79 19.113 2.278 4.806 1.00 0.00 H new ATOM 1252 N GLU A 80 17.272 0.720 2.249 1.00 0.00 N ATOM 1253 CA GLU A 80 16.067 1.368 1.761 1.00 0.00 C ATOM 1254 C GLU A 80 14.843 0.494 2.043 1.00 0.00 C ATOM 1255 O GLU A 80 13.822 0.985 2.523 1.00 0.00 O ATOM 1256 CB GLU A 80 16.181 1.687 0.269 1.00 0.00 C ATOM 1257 CG GLU A 80 16.342 3.191 0.040 1.00 0.00 C ATOM 1258 CD GLU A 80 16.253 3.532 -1.448 1.00 0.00 C ATOM 1259 OE1 GLU A 80 17.201 3.268 -2.203 1.00 0.00 O ATOM 1260 OE2 GLU A 80 15.149 4.089 -1.815 1.00 0.00 O ATOM 0 H GLU A 80 17.996 0.580 1.545 1.00 0.00 H new ATOM 0 HA GLU A 80 15.945 2.312 2.292 1.00 0.00 H new ATOM 0 HB2 GLU A 80 17.034 1.158 -0.155 1.00 0.00 H new ATOM 0 HB3 GLU A 80 15.293 1.329 -0.252 1.00 0.00 H new ATOM 0 HG2 GLU A 80 15.569 3.730 0.587 1.00 0.00 H new ATOM 0 HG3 GLU A 80 17.302 3.522 0.436 1.00 0.00 H new ATOM 1268 N LEU A 81 14.985 -0.786 1.732 1.00 0.00 N ATOM 1269 CA LEU A 81 13.904 -1.733 1.946 1.00 0.00 C ATOM 1270 C LEU A 81 13.452 -1.663 3.406 1.00 0.00 C ATOM 1271 O LEU A 81 12.262 -1.766 3.697 1.00 0.00 O ATOM 1272 CB LEU A 81 14.323 -3.135 1.498 1.00 0.00 C ATOM 1273 CG LEU A 81 14.215 -3.421 -0.001 1.00 0.00 C ATOM 1274 CD1 LEU A 81 12.838 -3.988 -0.352 1.00 0.00 C ATOM 1275 CD2 LEU A 81 14.547 -2.173 -0.822 1.00 0.00 C ATOM 0 H LEU A 81 15.833 -1.190 1.333 1.00 0.00 H new ATOM 0 HA LEU A 81 13.042 -1.472 1.332 1.00 0.00 H new ATOM 0 HB2 LEU A 81 15.356 -3.299 1.805 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.712 -3.863 2.031 1.00 0.00 H new ATOM 0 HG LEU A 81 14.952 -4.182 -0.258 1.00 0.00 H new ATOM 0 HD11 LEU A 81 12.787 -4.183 -1.423 1.00 0.00 H new ATOM 0 HD12 LEU A 81 12.677 -4.918 0.194 1.00 0.00 H new ATOM 0 HD13 LEU A 81 12.067 -3.268 -0.077 1.00 0.00 H new ATOM 0 HD21 LEU A 81 14.463 -2.403 -1.884 1.00 0.00 H new ATOM 0 HD22 LEU A 81 13.850 -1.374 -0.568 1.00 0.00 H new ATOM 0 HD23 LEU A 81 15.565 -1.852 -0.600 1.00 0.00 H new ATOM 1287 N LYS A 82 14.427 -1.489 4.286 1.00 0.00 N ATOM 1288 CA LYS A 82 14.144 -1.404 5.709 1.00 0.00 C ATOM 1289 C LYS A 82 13.474 -0.063 6.013 1.00 0.00 C ATOM 1290 O LYS A 82 12.658 0.034 6.927 1.00 0.00 O ATOM 1291 CB LYS A 82 15.415 -1.655 6.524 1.00 0.00 C ATOM 1292 CG LYS A 82 15.136 -2.593 7.700 1.00 0.00 C ATOM 1293 CD LYS A 82 15.900 -3.909 7.545 1.00 0.00 C ATOM 1294 CE LYS A 82 15.464 -4.924 8.605 1.00 0.00 C ATOM 1295 NZ LYS A 82 16.335 -6.120 8.566 1.00 0.00 N ATOM 0 H LYS A 82 15.414 -1.405 4.041 1.00 0.00 H new ATOM 0 HA LYS A 82 13.443 -2.185 6.005 1.00 0.00 H new ATOM 0 HB2 LYS A 82 16.183 -2.088 5.883 1.00 0.00 H new ATOM 0 HB3 LYS A 82 15.807 -0.708 6.895 1.00 0.00 H new ATOM 0 HG2 LYS A 82 15.425 -2.108 8.633 1.00 0.00 H new ATOM 0 HG3 LYS A 82 14.067 -2.794 7.763 1.00 0.00 H new ATOM 0 HD2 LYS A 82 15.727 -4.319 6.550 1.00 0.00 H new ATOM 0 HD3 LYS A 82 16.971 -3.725 7.632 1.00 0.00 H new ATOM 0 HE2 LYS A 82 15.507 -4.467 9.594 1.00 0.00 H new ATOM 0 HE3 LYS A 82 14.428 -5.216 8.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 16.026 -6.798 9.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 16.273 -6.564 7.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 17.319 -5.839 8.752 1.00 0.00 H new ATOM 1308 N LYS A 83 13.844 0.938 5.227 1.00 0.00 N ATOM 1309 CA LYS A 83 13.289 2.270 5.401 1.00 0.00 C ATOM 1310 C LYS A 83 11.796 2.243 5.065 1.00 0.00 C ATOM 1311 O LYS A 83 10.968 2.669 5.869 1.00 0.00 O ATOM 1312 CB LYS A 83 14.084 3.292 4.586 1.00 0.00 C ATOM 1313 CG LYS A 83 14.712 4.349 5.496 1.00 0.00 C ATOM 1314 CD LYS A 83 16.005 3.830 6.128 1.00 0.00 C ATOM 1315 CE LYS A 83 16.005 4.057 7.641 1.00 0.00 C ATOM 1316 NZ LYS A 83 15.771 2.783 8.357 1.00 0.00 N ATOM 0 H LYS A 83 14.521 0.853 4.469 1.00 0.00 H new ATOM 0 HA LYS A 83 13.377 2.587 6.440 1.00 0.00 H new ATOM 0 HB2 LYS A 83 14.865 2.783 4.020 1.00 0.00 H new ATOM 0 HB3 LYS A 83 13.428 3.774 3.861 1.00 0.00 H new ATOM 0 HG2 LYS A 83 14.921 5.251 4.921 1.00 0.00 H new ATOM 0 HG3 LYS A 83 14.006 4.626 6.279 1.00 0.00 H new ATOM 0 HD2 LYS A 83 16.116 2.767 5.916 1.00 0.00 H new ATOM 0 HD3 LYS A 83 16.861 4.335 5.681 1.00 0.00 H new ATOM 0 HE2 LYS A 83 16.959 4.485 7.950 1.00 0.00 H new ATOM 0 HE3 LYS A 83 15.231 4.777 7.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 15.774 2.956 9.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 14.850 2.390 8.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 16.524 2.107 8.117 1.00 0.00 H new ATOM 1329 N VAL A 84 11.498 1.738 3.877 1.00 0.00 N ATOM 1330 CA VAL A 84 10.120 1.649 3.426 1.00 0.00 C ATOM 1331 C VAL A 84 9.342 0.716 4.355 1.00 0.00 C ATOM 1332 O VAL A 84 8.217 1.022 4.748 1.00 0.00 O ATOM 1333 CB VAL A 84 10.076 1.207 1.962 1.00 0.00 C ATOM 1334 CG1 VAL A 84 11.025 2.050 1.106 1.00 0.00 C ATOM 1335 CG2 VAL A 84 10.396 -0.283 1.829 1.00 0.00 C ATOM 0 H VAL A 84 12.188 1.386 3.213 1.00 0.00 H new ATOM 0 HA VAL A 84 9.640 2.627 3.472 1.00 0.00 H new ATOM 0 HB VAL A 84 9.062 1.366 1.595 1.00 0.00 H new ATOM 0 HG11 VAL A 84 10.975 1.715 0.070 1.00 0.00 H new ATOM 0 HG12 VAL A 84 10.732 3.098 1.163 1.00 0.00 H new ATOM 0 HG13 VAL A 84 12.045 1.937 1.475 1.00 0.00 H new ATOM 0 HG21 VAL A 84 10.358 -0.571 0.778 1.00 0.00 H new ATOM 0 HG22 VAL A 84 11.394 -0.477 2.223 1.00 0.00 H new ATOM 0 HG23 VAL A 84 9.665 -0.864 2.391 1.00 0.00 H new ATOM 1345 N ILE A 85 9.972 -0.403 4.681 1.00 0.00 N ATOM 1346 CA ILE A 85 9.353 -1.383 5.557 1.00 0.00 C ATOM 1347 C ILE A 85 8.986 -0.714 6.884 1.00 0.00 C ATOM 1348 O ILE A 85 7.933 -0.995 7.454 1.00 0.00 O ATOM 1349 CB ILE A 85 10.257 -2.607 5.715 1.00 0.00 C ATOM 1350 CG1 ILE A 85 10.135 -3.538 4.506 1.00 0.00 C ATOM 1351 CG2 ILE A 85 9.969 -3.335 7.030 1.00 0.00 C ATOM 1352 CD1 ILE A 85 8.951 -4.493 4.667 1.00 0.00 C ATOM 0 H ILE A 85 10.905 -0.653 4.354 1.00 0.00 H new ATOM 0 HA ILE A 85 8.426 -1.754 5.119 1.00 0.00 H new ATOM 0 HB ILE A 85 11.291 -2.265 5.756 1.00 0.00 H new ATOM 0 HG12 ILE A 85 10.009 -2.947 3.599 1.00 0.00 H new ATOM 0 HG13 ILE A 85 11.055 -4.110 4.389 1.00 0.00 H new ATOM 0 HG21 ILE A 85 10.625 -4.201 7.118 1.00 0.00 H new ATOM 0 HG22 ILE A 85 10.147 -2.659 7.867 1.00 0.00 H new ATOM 0 HG23 ILE A 85 8.930 -3.664 7.044 1.00 0.00 H new ATOM 0 HD11 ILE A 85 8.887 -5.143 3.795 1.00 0.00 H new ATOM 0 HD12 ILE A 85 9.092 -5.099 5.562 1.00 0.00 H new ATOM 0 HD13 ILE A 85 8.030 -3.918 4.759 1.00 0.00 H new ATOM 1364 N ALA A 86 9.875 0.157 7.337 1.00 0.00 N ATOM 1365 CA ALA A 86 9.658 0.867 8.585 1.00 0.00 C ATOM 1366 C ALA A 86 8.594 1.946 8.375 1.00 0.00 C ATOM 1367 O ALA A 86 7.902 2.332 9.316 1.00 0.00 O ATOM 1368 CB ALA A 86 10.985 1.446 9.081 1.00 0.00 C ATOM 0 H ALA A 86 10.748 0.387 6.862 1.00 0.00 H new ATOM 0 HA ALA A 86 9.291 0.187 9.354 1.00 0.00 H new ATOM 0 HB1 ALA A 86 10.822 1.979 10.018 1.00 0.00 H new ATOM 0 HB2 ALA A 86 11.697 0.637 9.243 1.00 0.00 H new ATOM 0 HB3 ALA A 86 11.382 2.135 8.336 1.00 0.00 H new ATOM 1374 N ASP A 87 8.497 2.402 7.135 1.00 0.00 N ATOM 1375 CA ASP A 87 7.528 3.429 6.789 1.00 0.00 C ATOM 1376 C ASP A 87 6.152 2.786 6.610 1.00 0.00 C ATOM 1377 O ASP A 87 5.128 3.436 6.817 1.00 0.00 O ATOM 1378 CB ASP A 87 7.902 4.118 5.475 1.00 0.00 C ATOM 1379 CG ASP A 87 7.975 5.645 5.544 1.00 0.00 C ATOM 1380 OD1 ASP A 87 6.944 6.330 5.625 1.00 0.00 O ATOM 1381 OD2 ASP A 87 9.167 6.136 5.511 1.00 0.00 O ATOM 0 H ASP A 87 9.073 2.080 6.357 1.00 0.00 H new ATOM 0 HA ASP A 87 7.516 4.166 7.592 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.869 3.738 5.145 1.00 0.00 H new ATOM 0 HB3 ASP A 87 7.173 3.838 4.715 1.00 0.00 H new ATOM 1387 N ILE A 88 6.171 1.517 6.229 1.00 0.00 N ATOM 1388 CA ILE A 88 4.937 0.779 6.020 1.00 0.00 C ATOM 1389 C ILE A 88 4.500 0.141 7.340 1.00 0.00 C ATOM 1390 O ILE A 88 3.396 0.391 7.819 1.00 0.00 O ATOM 1391 CB ILE A 88 5.099 -0.223 4.875 1.00 0.00 C ATOM 1392 CG1 ILE A 88 3.800 -0.360 4.078 1.00 0.00 C ATOM 1393 CG2 ILE A 88 5.598 -1.573 5.395 1.00 0.00 C ATOM 1394 CD1 ILE A 88 4.090 -0.577 2.592 1.00 0.00 C ATOM 0 H ILE A 88 7.022 0.981 6.060 1.00 0.00 H new ATOM 0 HA ILE A 88 4.137 1.452 5.711 1.00 0.00 H new ATOM 0 HB ILE A 88 5.857 0.159 4.191 1.00 0.00 H new ATOM 0 HG12 ILE A 88 3.218 -1.197 4.465 1.00 0.00 H new ATOM 0 HG13 ILE A 88 3.194 0.537 4.207 1.00 0.00 H new ATOM 0 HG21 ILE A 88 5.705 -2.267 4.561 1.00 0.00 H new ATOM 0 HG22 ILE A 88 6.564 -1.441 5.883 1.00 0.00 H new ATOM 0 HG23 ILE A 88 4.881 -1.974 6.112 1.00 0.00 H new ATOM 0 HD11 ILE A 88 3.150 -0.671 2.048 1.00 0.00 H new ATOM 0 HD12 ILE A 88 4.651 0.273 2.203 1.00 0.00 H new ATOM 0 HD13 ILE A 88 4.676 -1.487 2.465 1.00 0.00 H new ATOM 1406 N TYR A 89 5.390 -0.672 7.890 1.00 0.00 N ATOM 1407 CA TYR A 89 5.111 -1.349 9.145 1.00 0.00 C ATOM 1408 C TYR A 89 6.103 -2.489 9.386 1.00 0.00 C ATOM 1409 O TYR A 89 6.573 -3.118 8.440 1.00 0.00 O ATOM 1410 CB TYR A 89 3.704 -1.934 9.004 1.00 0.00 C ATOM 1411 CG TYR A 89 3.506 -2.783 7.746 1.00 0.00 C ATOM 1412 CD1 TYR A 89 4.139 -4.004 7.631 1.00 0.00 C ATOM 1413 CD2 TYR A 89 2.695 -2.327 6.727 1.00 0.00 C ATOM 1414 CE1 TYR A 89 3.953 -4.802 6.447 1.00 0.00 C ATOM 1415 CE2 TYR A 89 2.508 -3.125 5.543 1.00 0.00 C ATOM 1416 CZ TYR A 89 3.146 -4.324 5.462 1.00 0.00 C ATOM 1417 OH TYR A 89 2.970 -5.078 4.344 1.00 0.00 O ATOM 0 H TYR A 89 6.305 -0.877 7.489 1.00 0.00 H new ATOM 0 HA TYR A 89 5.194 -0.656 9.982 1.00 0.00 H new ATOM 0 HB2 TYR A 89 3.486 -2.545 9.880 1.00 0.00 H new ATOM 0 HB3 TYR A 89 2.981 -1.118 8.997 1.00 0.00 H new ATOM 0 HD1 TYR A 89 4.774 -4.361 8.429 1.00 0.00 H new ATOM 0 HD2 TYR A 89 2.200 -1.371 6.817 1.00 0.00 H new ATOM 0 HE1 TYR A 89 4.443 -5.759 6.343 1.00 0.00 H new ATOM 0 HE2 TYR A 89 1.876 -2.780 4.738 1.00 0.00 H new ATOM 0 HH TYR A 89 3.276 -4.576 3.560 1.00 0.00 H new ATOM 1427 N PRO A 90 6.398 -2.726 10.692 1.00 0.00 N ATOM 1428 CA PRO A 90 7.326 -3.779 11.070 1.00 0.00 C ATOM 1429 C PRO A 90 6.677 -5.158 10.930 1.00 0.00 C ATOM 1430 O PRO A 90 5.519 -5.265 10.529 1.00 0.00 O ATOM 1431 CB PRO A 90 7.729 -3.454 12.499 1.00 0.00 C ATOM 1432 CG PRO A 90 6.665 -2.504 13.026 1.00 0.00 C ATOM 1433 CD PRO A 90 5.860 -2.002 11.839 1.00 0.00 C ATOM 0 HA PRO A 90 8.202 -3.820 10.423 1.00 0.00 H new ATOM 0 HB2 PRO A 90 7.780 -4.358 13.106 1.00 0.00 H new ATOM 0 HB3 PRO A 90 8.716 -2.992 12.531 1.00 0.00 H new ATOM 0 HG2 PRO A 90 6.017 -3.014 13.739 1.00 0.00 H new ATOM 0 HG3 PRO A 90 7.126 -1.670 13.555 1.00 0.00 H new ATOM 0 HD2 PRO A 90 4.796 -2.201 11.969 1.00 0.00 H new ATOM 0 HD3 PRO A 90 5.969 -0.925 11.714 1.00 0.00 H new ATOM 1441 N GLY A 91 7.451 -6.178 11.270 1.00 0.00 N ATOM 1442 CA GLY A 91 6.966 -7.545 11.187 1.00 0.00 C ATOM 1443 C GLY A 91 6.743 -7.961 9.732 1.00 0.00 C ATOM 1444 O GLY A 91 5.869 -7.421 9.055 1.00 0.00 O ATOM 0 H GLY A 91 8.410 -6.085 11.603 1.00 0.00 H new ATOM 0 HA2 GLY A 91 7.684 -8.218 11.655 1.00 0.00 H new ATOM 0 HA3 GLY A 91 6.033 -7.638 11.742 1.00 0.00 H new ATOM 1448 N GLN A 92 7.548 -8.917 9.293 1.00 0.00 N ATOM 1449 CA GLN A 92 7.449 -9.411 7.930 1.00 0.00 C ATOM 1450 C GLN A 92 6.898 -10.838 7.921 1.00 0.00 C ATOM 1451 O GLN A 92 7.660 -11.803 7.960 1.00 0.00 O ATOM 1452 CB GLN A 92 8.804 -9.343 7.222 1.00 0.00 C ATOM 1453 CG GLN A 92 8.797 -10.181 5.942 1.00 0.00 C ATOM 1454 CD GLN A 92 9.647 -11.442 6.108 1.00 0.00 C ATOM 1455 OE1 GLN A 92 10.286 -11.662 7.124 1.00 0.00 O ATOM 1456 NE2 GLN A 92 9.619 -12.255 5.056 1.00 0.00 N ATOM 0 H GLN A 92 8.272 -9.363 9.857 1.00 0.00 H new ATOM 0 HA GLN A 92 6.757 -8.771 7.382 1.00 0.00 H new ATOM 0 HB2 GLN A 92 9.041 -8.307 6.981 1.00 0.00 H new ATOM 0 HB3 GLN A 92 9.586 -9.701 7.891 1.00 0.00 H new ATOM 0 HG2 GLN A 92 7.773 -10.459 5.690 1.00 0.00 H new ATOM 0 HG3 GLN A 92 9.179 -9.587 5.112 1.00 0.00 H new ATOM 0 HE21 GLN A 92 9.063 -12.010 4.237 1.00 0.00 H new ATOM 0 HE22 GLN A 92 10.154 -13.123 5.068 1.00 0.00 H new ATOM 1465 N THR A 93 5.577 -10.928 7.870 1.00 0.00 N ATOM 1466 CA THR A 93 4.914 -12.221 7.856 1.00 0.00 C ATOM 1467 C THR A 93 3.601 -12.139 7.075 1.00 0.00 C ATOM 1468 O THR A 93 2.986 -11.077 6.998 1.00 0.00 O ATOM 1469 CB THR A 93 4.732 -12.675 9.306 1.00 0.00 C ATOM 1470 OG1 THR A 93 3.650 -11.880 9.785 1.00 0.00 O ATOM 1471 CG2 THR A 93 5.910 -12.276 10.197 1.00 0.00 C ATOM 0 H THR A 93 4.948 -10.126 7.838 1.00 0.00 H new ATOM 0 HA THR A 93 5.516 -12.969 7.340 1.00 0.00 H new ATOM 0 HB THR A 93 4.606 -13.757 9.334 1.00 0.00 H new ATOM 0 HG1 THR A 93 3.463 -12.111 10.719 1.00 0.00 H new ATOM 0 HG21 THR A 93 5.730 -12.622 11.215 1.00 0.00 H new ATOM 0 HG22 THR A 93 6.825 -12.730 9.816 1.00 0.00 H new ATOM 0 HG23 THR A 93 6.016 -11.191 10.196 1.00 0.00 H new ATOM 1479 N GLN A 94 3.210 -13.275 6.516 1.00 0.00 N ATOM 1480 CA GLN A 94 1.982 -13.346 5.744 1.00 0.00 C ATOM 1481 C GLN A 94 0.924 -12.416 6.344 1.00 0.00 C ATOM 1482 O GLN A 94 0.856 -12.252 7.561 1.00 0.00 O ATOM 1483 CB GLN A 94 1.466 -14.784 5.664 1.00 0.00 C ATOM 1484 CG GLN A 94 2.184 -15.563 4.561 1.00 0.00 C ATOM 1485 CD GLN A 94 2.519 -16.983 5.022 1.00 0.00 C ATOM 1486 OE1 GLN A 94 1.748 -17.915 4.859 1.00 0.00 O ATOM 1487 NE2 GLN A 94 3.709 -17.096 5.605 1.00 0.00 N ATOM 0 H GLN A 94 3.723 -14.154 6.583 1.00 0.00 H new ATOM 0 HA GLN A 94 2.195 -13.015 4.728 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.616 -15.282 6.622 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.393 -14.779 5.471 1.00 0.00 H new ATOM 0 HG2 GLN A 94 1.555 -15.604 3.672 1.00 0.00 H new ATOM 0 HG3 GLN A 94 3.100 -15.042 4.280 1.00 0.00 H new ATOM 0 HE21 GLN A 94 4.306 -16.275 5.710 1.00 0.00 H new ATOM 0 HE22 GLN A 94 4.025 -18.003 5.947 1.00 0.00 H new ATOM 1496 N PHE A 95 0.126 -11.833 5.461 1.00 0.00 N ATOM 1497 CA PHE A 95 -0.925 -10.925 5.888 1.00 0.00 C ATOM 1498 C PHE A 95 -1.968 -10.736 4.785 1.00 0.00 C ATOM 1499 O PHE A 95 -1.863 -11.337 3.717 1.00 0.00 O ATOM 1500 CB PHE A 95 -0.260 -9.578 6.181 1.00 0.00 C ATOM 1501 CG PHE A 95 -0.280 -9.183 7.659 1.00 0.00 C ATOM 1502 CD1 PHE A 95 -1.404 -9.375 8.399 1.00 0.00 C ATOM 1503 CD2 PHE A 95 0.827 -8.639 8.232 1.00 0.00 C ATOM 1504 CE1 PHE A 95 -1.422 -9.008 9.771 1.00 0.00 C ATOM 1505 CE2 PHE A 95 0.809 -8.272 9.603 1.00 0.00 C ATOM 1506 CZ PHE A 95 -0.315 -8.464 10.344 1.00 0.00 C ATOM 0 H PHE A 95 0.186 -11.972 4.452 1.00 0.00 H new ATOM 0 HA PHE A 95 -1.432 -11.328 6.765 1.00 0.00 H new ATOM 0 HB2 PHE A 95 0.774 -9.613 5.839 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -0.762 -8.803 5.601 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -2.283 -9.807 7.944 1.00 0.00 H new ATOM 0 HD2 PHE A 95 1.720 -8.486 7.644 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -2.315 -9.161 10.359 1.00 0.00 H new ATOM 0 HE2 PHE A 95 1.688 -7.840 10.058 1.00 0.00 H new ATOM 0 HZ PHE A 95 -0.329 -8.185 11.387 1.00 0.00 H new ATOM 1516 N TYR A 96 -2.952 -9.900 5.082 1.00 0.00 N ATOM 1517 CA TYR A 96 -4.013 -9.625 4.129 1.00 0.00 C ATOM 1518 C TYR A 96 -3.553 -8.620 3.070 1.00 0.00 C ATOM 1519 O TYR A 96 -2.826 -7.677 3.379 1.00 0.00 O ATOM 1520 CB TYR A 96 -5.156 -9.007 4.937 1.00 0.00 C ATOM 1521 CG TYR A 96 -6.463 -9.800 4.871 1.00 0.00 C ATOM 1522 CD1 TYR A 96 -6.487 -11.124 5.258 1.00 0.00 C ATOM 1523 CD2 TYR A 96 -7.618 -9.190 4.426 1.00 0.00 C ATOM 1524 CE1 TYR A 96 -7.718 -11.870 5.196 1.00 0.00 C ATOM 1525 CE2 TYR A 96 -8.849 -9.936 4.364 1.00 0.00 C ATOM 1526 CZ TYR A 96 -8.838 -11.239 4.752 1.00 0.00 C ATOM 1527 OH TYR A 96 -10.000 -11.943 4.694 1.00 0.00 O ATOM 0 H TYR A 96 -3.037 -9.404 5.969 1.00 0.00 H new ATOM 0 HA TYR A 96 -4.311 -10.538 3.613 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -4.847 -8.922 5.979 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -5.338 -7.995 4.575 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -5.583 -11.601 5.607 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -7.599 -8.153 4.124 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -7.751 -12.907 5.495 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -9.760 -9.471 4.017 1.00 0.00 H new ATOM 0 HH TYR A 96 -10.717 -11.364 4.359 1.00 0.00 H new ATOM 1537 N VAL A 97 -3.995 -8.857 1.844 1.00 0.00 N ATOM 1538 CA VAL A 97 -3.638 -7.985 0.738 1.00 0.00 C ATOM 1539 C VAL A 97 -4.907 -7.568 -0.008 1.00 0.00 C ATOM 1540 O VAL A 97 -5.770 -8.399 -0.285 1.00 0.00 O ATOM 1541 CB VAL A 97 -2.614 -8.678 -0.165 1.00 0.00 C ATOM 1542 CG1 VAL A 97 -2.386 -7.878 -1.449 1.00 0.00 C ATOM 1543 CG2 VAL A 97 -1.297 -8.910 0.578 1.00 0.00 C ATOM 0 H VAL A 97 -4.597 -9.641 1.592 1.00 0.00 H new ATOM 0 HA VAL A 97 -3.164 -7.075 1.107 1.00 0.00 H new ATOM 0 HB VAL A 97 -3.017 -9.652 -0.444 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.655 -8.392 -2.073 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.326 -7.787 -1.993 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -2.014 -6.885 -1.198 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.587 -9.404 -0.086 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.887 -7.953 0.900 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.477 -9.539 1.450 1.00 0.00 H new ATOM 1553 N ILE A 98 -4.980 -6.280 -0.311 1.00 0.00 N ATOM 1554 CA ILE A 98 -6.129 -5.742 -1.019 1.00 0.00 C ATOM 1555 C ILE A 98 -5.648 -4.958 -2.242 1.00 0.00 C ATOM 1556 O ILE A 98 -4.784 -4.091 -2.126 1.00 0.00 O ATOM 1557 CB ILE A 98 -7.008 -4.925 -0.071 1.00 0.00 C ATOM 1558 CG1 ILE A 98 -7.027 -5.543 1.329 1.00 0.00 C ATOM 1559 CG2 ILE A 98 -8.418 -4.753 -0.640 1.00 0.00 C ATOM 1560 CD1 ILE A 98 -7.546 -6.981 1.287 1.00 0.00 C ATOM 0 H ILE A 98 -4.262 -5.594 -0.079 1.00 0.00 H new ATOM 0 HA ILE A 98 -6.762 -6.549 -1.387 1.00 0.00 H new ATOM 0 HB ILE A 98 -6.575 -3.929 0.022 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -6.022 -5.528 1.751 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -7.658 -4.944 1.986 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -9.022 -4.168 0.054 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -8.363 -4.236 -1.598 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -8.875 -5.732 -0.782 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -7.549 -7.396 2.295 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -8.560 -6.990 0.888 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -6.899 -7.583 0.649 1.00 0.00 H new ATOM 1572 N GLU A 99 -6.230 -5.292 -3.385 1.00 0.00 N ATOM 1573 CA GLU A 99 -5.871 -4.629 -4.627 1.00 0.00 C ATOM 1574 C GLU A 99 -6.854 -3.496 -4.927 1.00 0.00 C ATOM 1575 O GLU A 99 -8.003 -3.534 -4.490 1.00 0.00 O ATOM 1576 CB GLU A 99 -5.816 -5.628 -5.785 1.00 0.00 C ATOM 1577 CG GLU A 99 -4.728 -5.244 -6.790 1.00 0.00 C ATOM 1578 CD GLU A 99 -4.522 -6.351 -7.825 1.00 0.00 C ATOM 1579 OE1 GLU A 99 -4.893 -7.508 -7.578 1.00 0.00 O ATOM 1580 OE2 GLU A 99 -3.957 -5.974 -8.921 1.00 0.00 O ATOM 0 H GLU A 99 -6.947 -6.012 -3.477 1.00 0.00 H new ATOM 0 HA GLU A 99 -4.876 -4.199 -4.513 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -5.622 -6.628 -5.398 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -6.783 -5.662 -6.286 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -5.004 -4.317 -7.293 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -3.792 -5.055 -6.264 1.00 0.00 H new ATOM 1588 N PHE A 100 -6.366 -2.513 -5.671 1.00 0.00 N ATOM 1589 CA PHE A 100 -7.187 -1.371 -6.034 1.00 0.00 C ATOM 1590 C PHE A 100 -6.873 -0.900 -7.455 1.00 0.00 C ATOM 1591 O PHE A 100 -5.949 -1.405 -8.091 1.00 0.00 O ATOM 1592 CB PHE A 100 -6.851 -0.248 -5.051 1.00 0.00 C ATOM 1593 CG PHE A 100 -5.405 0.245 -5.141 1.00 0.00 C ATOM 1594 CD1 PHE A 100 -4.986 0.926 -6.241 1.00 0.00 C ATOM 1595 CD2 PHE A 100 -4.540 0.003 -4.120 1.00 0.00 C ATOM 1596 CE1 PHE A 100 -3.644 1.384 -6.324 1.00 0.00 C ATOM 1597 CE2 PHE A 100 -3.198 0.461 -4.203 1.00 0.00 C ATOM 1598 CZ PHE A 100 -2.779 1.142 -5.303 1.00 0.00 C ATOM 0 H PHE A 100 -5.412 -2.485 -6.032 1.00 0.00 H new ATOM 0 HA PHE A 100 -8.242 -1.643 -5.995 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -7.522 0.592 -5.231 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -7.043 -0.597 -4.036 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -5.673 1.119 -7.051 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -4.873 -0.537 -3.246 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -3.311 1.924 -7.198 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -2.511 0.268 -3.393 1.00 0.00 H new ATOM 0 HZ PHE A 100 -1.759 1.491 -5.366 1.00 0.00 H new ATOM 1608 N LYS A 101 -7.661 0.062 -7.913 1.00 0.00 N ATOM 1609 CA LYS A 101 -7.478 0.607 -9.248 1.00 0.00 C ATOM 1610 C LYS A 101 -7.982 2.051 -9.278 1.00 0.00 C ATOM 1611 O LYS A 101 -8.917 2.401 -8.559 1.00 0.00 O ATOM 1612 CB LYS A 101 -8.139 -0.297 -10.291 1.00 0.00 C ATOM 1613 CG LYS A 101 -9.526 0.226 -10.669 1.00 0.00 C ATOM 1614 CD LYS A 101 -10.150 -0.628 -11.775 1.00 0.00 C ATOM 1615 CE LYS A 101 -11.551 -0.125 -12.130 1.00 0.00 C ATOM 1616 NZ LYS A 101 -11.468 1.089 -12.973 1.00 0.00 N ATOM 0 H LYS A 101 -8.427 0.478 -7.384 1.00 0.00 H new ATOM 0 HA LYS A 101 -6.420 0.633 -9.507 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -7.512 -0.351 -11.181 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -8.223 -1.310 -9.898 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -10.173 0.220 -9.791 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -9.450 1.261 -11.002 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -9.515 -0.603 -12.661 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -10.204 -1.667 -11.451 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -12.101 -0.904 -12.658 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -12.106 0.095 -11.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -12.427 1.417 -13.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -10.962 1.836 -12.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -10.956 0.868 -13.851 1.00 0.00 H new ATOM 1629 N CYS A 102 -7.341 2.851 -10.117 1.00 0.00 N ATOM 1630 CA CYS A 102 -7.713 4.249 -10.250 1.00 0.00 C ATOM 1631 C CYS A 102 -8.726 4.371 -11.391 1.00 0.00 C ATOM 1632 O CYS A 102 -8.502 3.849 -12.482 1.00 0.00 O ATOM 1633 CB CYS A 102 -6.490 5.141 -10.475 1.00 0.00 C ATOM 1634 SG CYS A 102 -7.018 6.787 -11.075 1.00 0.00 S ATOM 0 H CYS A 102 -6.566 2.558 -10.712 1.00 0.00 H new ATOM 0 HA CYS A 102 -8.169 4.596 -9.323 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -5.930 5.246 -9.546 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -5.820 4.678 -11.200 1.00 0.00 H new ATOM 0 HG CYS A 102 -5.973 7.537 -11.261 1.00 0.00 H new ATOM 1640 N LEU A 103 -9.817 5.062 -11.099 1.00 0.00 N ATOM 1641 CA LEU A 103 -10.865 5.258 -12.087 1.00 0.00 C ATOM 1642 C LEU A 103 -10.331 6.133 -13.223 1.00 0.00 C ATOM 1643 O LEU A 103 -11.107 6.740 -13.960 1.00 0.00 O ATOM 1644 CB LEU A 103 -12.128 5.813 -11.425 1.00 0.00 C ATOM 1645 CG LEU A 103 -12.602 5.082 -10.167 1.00 0.00 C ATOM 1646 CD1 LEU A 103 -13.249 6.054 -9.179 1.00 0.00 C ATOM 1647 CD2 LEU A 103 -13.535 3.923 -10.525 1.00 0.00 C ATOM 0 H LEU A 103 -9.999 5.493 -10.193 1.00 0.00 H new ATOM 0 HA LEU A 103 -11.157 4.305 -12.528 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -11.951 6.858 -11.169 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -12.935 5.796 -12.157 1.00 0.00 H new ATOM 0 HG LEU A 103 -11.730 4.653 -9.673 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -13.577 5.509 -8.294 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -12.524 6.814 -8.889 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -14.108 6.533 -9.649 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -13.857 3.420 -9.613 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -14.406 4.308 -11.055 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -13.007 3.214 -11.163 1.00 0.00 H new