USER MOD reduce.3.24.130724 H: found=0, std=0, add=905, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 906 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 27 MET CE :methyl -151:sc= -0.393 (180deg=-2.37) USER MOD Set 1.2: A 119 TYR OH : rot 60:sc= 1.76 USER MOD Set 2.1: A 90 THR OG1 : rot 180:sc= -0.0496 USER MOD Set 2.2: A 92 THR OG1 : rot 20:sc= -0.0359 USER MOD Set 2.3: A 96 GLN : amide:sc= -6.22! C(o=-6.3!,f=-8.2!) USER MOD Set 3.1: A 60 SER OG : rot 99:sc= 0.496 USER MOD Set 3.2: A 62 TYR OH : rot 180:sc= 0.012 USER MOD Set 4.1: A 18 MET CE :methyl -174:sc= -1.18 (180deg=-1.25) USER MOD Set 4.2: A 39 MET CE :methyl 144:sc= -4.14! (180deg=-6.03!) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 HIS : no HE2:sc= -1.23! C(o=-1.2!,f=-5!) USER MOD Single : A 20 GLN : amide:sc= -0.957 K(o=-0.96,f=-3.3!) USER MOD Single : A 26 ASN : amide:sc= -0.0254 X(o=-0.025,f=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0573 USER MOD Single : A 29 MET CE :methyl -154:sc= 0 (180deg=-0.349) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot -36:sc= -3.08! USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 GLN : amide:sc= -5.28! C(o=-5.3!,f=-14!) USER MOD Single : A 66 ASN : amide:sc= -0.223 X(o=-0.22,f=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HE2:sc= -0.12 K(o=-0.12,f=-3.1) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -0.639 K(o=-0.64,f=-2.2) USER MOD Single : A 83 MET CE :methyl 166:sc= 0 (180deg=-0.12) USER MOD Single : A 85 ASN : amide:sc= 0.0161 K(o=0.016,f=-3.5!) USER MOD Single : A 86 SER OG : rot 137:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 MET CE :methyl -164:sc= -0.0751 (180deg=-0.902) USER MOD Single : A 99 HIS : no HD1:sc= 0.107 K(o=0.11,f=-0.9) USER MOD Single : A 104 THR OG1 : rot -170:sc= 0.219 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 CYS SG : rot 105:sc= 0.509 USER MOD Single : A 110 GLN : amide:sc=-0.000751 K(o=-0.00075,f=-1.1) USER MOD Single : A 113 CYS SG : rot 76:sc= -1.24 USER MOD Single : A 116 GLN : amide:sc= -1.11! X(o=-1.1!,f=-1.1) USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 124 ASN :FLIP amide:sc= -3.26! C(o=-5.2!,f=-3.3!) USER MOD Single : A 125 HIS : no HD1:sc= -0.0949 X(o=-0.095,f=0) USER MOD ----------------------------------------------------------------- ATOM 102 N ILE A 11 14.876 -9.931 0.693 1.00 0.00 N ATOM 103 CA ILE A 11 15.089 -8.751 -0.136 1.00 0.00 C ATOM 104 C ILE A 11 15.518 -9.141 -1.547 1.00 0.00 C ATOM 105 O ILE A 11 14.870 -8.773 -2.526 1.00 0.00 O ATOM 106 CB ILE A 11 16.154 -7.819 0.473 1.00 0.00 C ATOM 107 CG1 ILE A 11 15.712 -7.341 1.858 1.00 0.00 C ATOM 108 CG2 ILE A 11 16.409 -6.635 -0.446 1.00 0.00 C ATOM 109 CD1 ILE A 11 16.559 -6.214 2.406 1.00 0.00 C ATOM 0 HA ILE A 11 14.138 -8.221 -0.181 1.00 0.00 H new ATOM 0 HB ILE A 11 17.085 -8.376 0.582 1.00 0.00 H new ATOM 0 HG12 ILE A 11 14.674 -7.013 1.806 1.00 0.00 H new ATOM 0 HG13 ILE A 11 15.746 -8.181 2.552 1.00 0.00 H new ATOM 0 HG21 ILE A 11 17.164 -5.986 -0.002 1.00 0.00 H new ATOM 0 HG22 ILE A 11 16.762 -6.994 -1.413 1.00 0.00 H new ATOM 0 HG23 ILE A 11 15.484 -6.075 -0.583 1.00 0.00 H new ATOM 0 HD11 ILE A 11 16.189 -5.926 3.390 1.00 0.00 H new ATOM 0 HD12 ILE A 11 17.594 -6.545 2.490 1.00 0.00 H new ATOM 0 HD13 ILE A 11 16.505 -5.358 1.733 1.00 0.00 H new ATOM 121 N GLU A 12 16.613 -9.888 -1.641 1.00 0.00 N ATOM 122 CA GLU A 12 17.127 -10.329 -2.932 1.00 0.00 C ATOM 123 C GLU A 12 15.997 -10.835 -3.824 1.00 0.00 C ATOM 124 O GLU A 12 15.927 -10.497 -5.005 1.00 0.00 O ATOM 125 CB GLU A 12 18.173 -11.429 -2.742 1.00 0.00 C ATOM 126 CG GLU A 12 19.500 -10.921 -2.204 1.00 0.00 C ATOM 127 CD GLU A 12 20.428 -10.437 -3.301 1.00 0.00 C ATOM 128 OE1 GLU A 12 21.088 -11.286 -3.936 1.00 0.00 O ATOM 129 OE2 GLU A 12 20.494 -9.210 -3.526 1.00 0.00 O ATOM 0 H GLU A 12 17.161 -10.200 -0.839 1.00 0.00 H new ATOM 0 HA GLU A 12 17.595 -9.473 -3.418 1.00 0.00 H new ATOM 0 HB2 GLU A 12 17.777 -12.181 -2.059 1.00 0.00 H new ATOM 0 HB3 GLU A 12 18.344 -11.925 -3.697 1.00 0.00 H new ATOM 0 HG2 GLU A 12 19.316 -10.106 -1.504 1.00 0.00 H new ATOM 0 HG3 GLU A 12 19.990 -11.718 -1.644 1.00 0.00 H new ATOM 136 N GLN A 13 15.117 -11.648 -3.249 1.00 0.00 N ATOM 137 CA GLN A 13 13.991 -12.202 -3.992 1.00 0.00 C ATOM 138 C GLN A 13 13.074 -11.093 -4.499 1.00 0.00 C ATOM 139 O GLN A 13 12.647 -11.106 -5.654 1.00 0.00 O ATOM 140 CB GLN A 13 13.200 -13.171 -3.112 1.00 0.00 C ATOM 141 CG GLN A 13 13.783 -14.575 -3.077 1.00 0.00 C ATOM 142 CD GLN A 13 12.732 -15.638 -2.826 1.00 0.00 C ATOM 143 OE1 GLN A 13 12.211 -15.762 -1.717 1.00 0.00 O ATOM 144 NE2 GLN A 13 12.413 -16.411 -3.858 1.00 0.00 N ATOM 0 H GLN A 13 15.162 -11.938 -2.272 1.00 0.00 H new ATOM 0 HA GLN A 13 14.386 -12.743 -4.852 1.00 0.00 H new ATOM 0 HB2 GLN A 13 13.161 -12.777 -2.096 1.00 0.00 H new ATOM 0 HB3 GLN A 13 12.173 -13.222 -3.474 1.00 0.00 H new ATOM 0 HG2 GLN A 13 14.283 -14.780 -4.024 1.00 0.00 H new ATOM 0 HG3 GLN A 13 14.543 -14.629 -2.297 1.00 0.00 H new ATOM 0 HE21 GLN A 13 12.870 -16.273 -4.759 1.00 0.00 H new ATOM 0 HE22 GLN A 13 11.711 -17.143 -3.749 1.00 0.00 H new ATOM 153 N LEU A 14 12.776 -10.135 -3.628 1.00 0.00 N ATOM 154 CA LEU A 14 11.909 -9.018 -3.987 1.00 0.00 C ATOM 155 C LEU A 14 12.534 -8.179 -5.098 1.00 0.00 C ATOM 156 O LEU A 14 11.958 -8.031 -6.177 1.00 0.00 O ATOM 157 CB LEU A 14 11.639 -8.142 -2.762 1.00 0.00 C ATOM 158 CG LEU A 14 10.422 -8.525 -1.919 1.00 0.00 C ATOM 159 CD1 LEU A 14 10.648 -8.158 -0.460 1.00 0.00 C ATOM 160 CD2 LEU A 14 9.169 -7.847 -2.453 1.00 0.00 C ATOM 0 H LEU A 14 13.122 -10.109 -2.669 1.00 0.00 H new ATOM 0 HA LEU A 14 10.965 -9.425 -4.351 1.00 0.00 H new ATOM 0 HB2 LEU A 14 12.521 -8.165 -2.122 1.00 0.00 H new ATOM 0 HB3 LEU A 14 11.515 -7.112 -3.097 1.00 0.00 H new ATOM 0 HG LEU A 14 10.283 -9.604 -1.984 1.00 0.00 H new ATOM 0 HD11 LEU A 14 9.772 -8.438 0.125 1.00 0.00 H new ATOM 0 HD12 LEU A 14 11.522 -8.689 -0.082 1.00 0.00 H new ATOM 0 HD13 LEU A 14 10.813 -7.084 -0.376 1.00 0.00 H new ATOM 0 HD21 LEU A 14 8.313 -8.131 -1.841 1.00 0.00 H new ATOM 0 HD22 LEU A 14 9.298 -6.765 -2.418 1.00 0.00 H new ATOM 0 HD23 LEU A 14 8.998 -8.159 -3.483 1.00 0.00 H new ATOM 172 N LEU A 15 13.715 -7.635 -4.828 1.00 0.00 N ATOM 173 CA LEU A 15 14.419 -6.813 -5.806 1.00 0.00 C ATOM 174 C LEU A 15 14.188 -7.332 -7.221 1.00 0.00 C ATOM 175 O LEU A 15 13.850 -6.568 -8.125 1.00 0.00 O ATOM 176 CB LEU A 15 15.917 -6.789 -5.497 1.00 0.00 C ATOM 177 CG LEU A 15 16.306 -6.327 -4.092 1.00 0.00 C ATOM 178 CD1 LEU A 15 17.818 -6.330 -3.928 1.00 0.00 C ATOM 179 CD2 LEU A 15 15.741 -4.942 -3.811 1.00 0.00 C ATOM 0 H LEU A 15 14.205 -7.748 -3.941 1.00 0.00 H new ATOM 0 HA LEU A 15 14.025 -5.799 -5.743 1.00 0.00 H new ATOM 0 HB2 LEU A 15 16.315 -7.792 -5.651 1.00 0.00 H new ATOM 0 HB3 LEU A 15 16.406 -6.137 -6.221 1.00 0.00 H new ATOM 0 HG LEU A 15 15.881 -7.025 -3.371 1.00 0.00 H new ATOM 0 HD11 LEU A 15 18.076 -5.998 -2.922 1.00 0.00 H new ATOM 0 HD12 LEU A 15 18.199 -7.339 -4.086 1.00 0.00 H new ATOM 0 HD13 LEU A 15 18.264 -5.655 -4.658 1.00 0.00 H new ATOM 0 HD21 LEU A 15 16.027 -4.629 -2.807 1.00 0.00 H new ATOM 0 HD22 LEU A 15 16.136 -4.233 -4.539 1.00 0.00 H new ATOM 0 HD23 LEU A 15 14.654 -4.970 -3.886 1.00 0.00 H new ATOM 191 N GLU A 16 14.372 -8.636 -7.405 1.00 0.00 N ATOM 192 CA GLU A 16 14.182 -9.256 -8.711 1.00 0.00 C ATOM 193 C GLU A 16 12.750 -9.064 -9.202 1.00 0.00 C ATOM 194 O GLU A 16 12.522 -8.651 -10.339 1.00 0.00 O ATOM 195 CB GLU A 16 14.515 -10.748 -8.644 1.00 0.00 C ATOM 196 CG GLU A 16 15.935 -11.036 -8.187 1.00 0.00 C ATOM 197 CD GLU A 16 16.490 -12.316 -8.779 1.00 0.00 C ATOM 198 OE1 GLU A 16 16.125 -13.405 -8.289 1.00 0.00 O ATOM 199 OE2 GLU A 16 17.291 -12.229 -9.734 1.00 0.00 O ATOM 0 H GLU A 16 14.652 -9.282 -6.667 1.00 0.00 H new ATOM 0 HA GLU A 16 14.857 -8.772 -9.417 1.00 0.00 H new ATOM 0 HB2 GLU A 16 13.817 -11.237 -7.964 1.00 0.00 H new ATOM 0 HB3 GLU A 16 14.363 -11.190 -9.629 1.00 0.00 H new ATOM 0 HG2 GLU A 16 16.579 -10.202 -8.466 1.00 0.00 H new ATOM 0 HG3 GLU A 16 15.956 -11.104 -7.099 1.00 0.00 H new ATOM 206 N PHE A 17 11.789 -9.368 -8.336 1.00 0.00 N ATOM 207 CA PHE A 17 10.379 -9.231 -8.680 1.00 0.00 C ATOM 208 C PHE A 17 10.038 -7.780 -9.010 1.00 0.00 C ATOM 209 O PHE A 17 9.528 -7.482 -10.090 1.00 0.00 O ATOM 210 CB PHE A 17 9.500 -9.723 -7.528 1.00 0.00 C ATOM 211 CG PHE A 17 8.163 -9.043 -7.461 1.00 0.00 C ATOM 212 CD1 PHE A 17 7.235 -9.208 -8.477 1.00 0.00 C ATOM 213 CD2 PHE A 17 7.833 -8.238 -6.382 1.00 0.00 C ATOM 214 CE1 PHE A 17 6.003 -8.584 -8.418 1.00 0.00 C ATOM 215 CE2 PHE A 17 6.603 -7.612 -6.318 1.00 0.00 C ATOM 216 CZ PHE A 17 5.687 -7.784 -7.337 1.00 0.00 C ATOM 0 H PHE A 17 11.961 -9.711 -7.391 1.00 0.00 H new ATOM 0 HA PHE A 17 10.186 -9.842 -9.562 1.00 0.00 H new ATOM 0 HB2 PHE A 17 9.347 -10.797 -7.631 1.00 0.00 H new ATOM 0 HB3 PHE A 17 10.027 -9.565 -6.587 1.00 0.00 H new ATOM 0 HD1 PHE A 17 7.477 -9.832 -9.325 1.00 0.00 H new ATOM 0 HD2 PHE A 17 8.545 -8.099 -5.582 1.00 0.00 H new ATOM 0 HE1 PHE A 17 5.288 -8.722 -9.216 1.00 0.00 H new ATOM 0 HE2 PHE A 17 6.358 -6.988 -5.471 1.00 0.00 H new ATOM 0 HZ PHE A 17 4.726 -7.294 -7.289 1.00 0.00 H new ATOM 226 N MET A 18 10.323 -6.884 -8.072 1.00 0.00 N ATOM 227 CA MET A 18 10.048 -5.464 -8.263 1.00 0.00 C ATOM 228 C MET A 18 10.487 -5.007 -9.651 1.00 0.00 C ATOM 229 O MET A 18 9.776 -4.261 -10.323 1.00 0.00 O ATOM 230 CB MET A 18 10.760 -4.636 -7.192 1.00 0.00 C ATOM 231 CG MET A 18 10.055 -4.651 -5.845 1.00 0.00 C ATOM 232 SD MET A 18 11.197 -4.470 -4.461 1.00 0.00 S ATOM 233 CE MET A 18 11.122 -2.702 -4.189 1.00 0.00 C ATOM 0 H MET A 18 10.744 -7.115 -7.172 1.00 0.00 H new ATOM 0 HA MET A 18 8.972 -5.313 -8.173 1.00 0.00 H new ATOM 0 HB2 MET A 18 11.774 -5.014 -7.066 1.00 0.00 H new ATOM 0 HB3 MET A 18 10.845 -3.606 -7.537 1.00 0.00 H new ATOM 0 HG2 MET A 18 9.322 -3.845 -5.814 1.00 0.00 H new ATOM 0 HG3 MET A 18 9.505 -5.586 -5.737 1.00 0.00 H new ATOM 0 HE1 MET A 18 11.855 -2.419 -3.434 1.00 0.00 H new ATOM 0 HE2 MET A 18 11.341 -2.181 -5.121 1.00 0.00 H new ATOM 0 HE3 MET A 18 10.124 -2.429 -3.846 1.00 0.00 H new ATOM 243 N HIS A 19 11.664 -5.460 -10.073 1.00 0.00 N ATOM 244 CA HIS A 19 12.198 -5.097 -11.381 1.00 0.00 C ATOM 245 C HIS A 19 11.186 -5.397 -12.483 1.00 0.00 C ATOM 246 O HIS A 19 11.061 -4.640 -13.446 1.00 0.00 O ATOM 247 CB HIS A 19 13.501 -5.850 -11.650 1.00 0.00 C ATOM 248 CG HIS A 19 14.254 -5.338 -12.839 1.00 0.00 C ATOM 249 ND1 HIS A 19 13.637 -4.944 -14.008 1.00 0.00 N ATOM 250 CD2 HIS A 19 15.580 -5.154 -13.035 1.00 0.00 C ATOM 251 CE1 HIS A 19 14.552 -4.542 -14.872 1.00 0.00 C ATOM 252 NE2 HIS A 19 15.740 -4.659 -14.306 1.00 0.00 N ATOM 0 H HIS A 19 12.265 -6.078 -9.529 1.00 0.00 H new ATOM 0 HA HIS A 19 12.400 -4.026 -11.379 1.00 0.00 H new ATOM 0 HB2 HIS A 19 14.139 -5.781 -10.769 1.00 0.00 H new ATOM 0 HB3 HIS A 19 13.277 -6.906 -11.800 1.00 0.00 H new ATOM 0 HD1 HIS A 19 12.632 -4.960 -14.179 1.00 0.00 H new ATOM 0 HD2 HIS A 19 16.367 -5.358 -12.324 1.00 0.00 H new ATOM 0 HE1 HIS A 19 14.361 -4.179 -15.871 1.00 0.00 H new ATOM 261 N GLN A 20 10.467 -6.505 -12.334 1.00 0.00 N ATOM 262 CA GLN A 20 9.468 -6.904 -13.318 1.00 0.00 C ATOM 263 C GLN A 20 8.308 -5.914 -13.349 1.00 0.00 C ATOM 264 O GLN A 20 7.812 -5.556 -14.418 1.00 0.00 O ATOM 265 CB GLN A 20 8.947 -8.308 -13.005 1.00 0.00 C ATOM 266 CG GLN A 20 9.909 -9.416 -13.404 1.00 0.00 C ATOM 267 CD GLN A 20 9.650 -10.710 -12.656 1.00 0.00 C ATOM 268 OE1 GLN A 20 9.344 -10.701 -11.464 1.00 0.00 O ATOM 269 NE2 GLN A 20 9.771 -11.832 -13.356 1.00 0.00 N ATOM 0 H GLN A 20 10.558 -7.142 -11.542 1.00 0.00 H new ATOM 0 HA GLN A 20 9.943 -6.910 -14.299 1.00 0.00 H new ATOM 0 HB2 GLN A 20 8.744 -8.382 -11.937 1.00 0.00 H new ATOM 0 HB3 GLN A 20 7.999 -8.458 -13.521 1.00 0.00 H new ATOM 0 HG2 GLN A 20 9.825 -9.597 -14.476 1.00 0.00 H new ATOM 0 HG3 GLN A 20 10.932 -9.090 -13.215 1.00 0.00 H new ATOM 0 HE21 GLN A 20 10.027 -11.792 -14.343 1.00 0.00 H new ATOM 0 HE22 GLN A 20 9.608 -12.733 -12.907 1.00 0.00 H new ATOM 278 N LEU A 21 7.879 -5.476 -12.170 1.00 0.00 N ATOM 279 CA LEU A 21 6.777 -4.527 -12.062 1.00 0.00 C ATOM 280 C LEU A 21 7.181 -3.159 -12.603 1.00 0.00 C ATOM 281 O LEU A 21 8.305 -2.695 -12.410 1.00 0.00 O ATOM 282 CB LEU A 21 6.329 -4.400 -10.605 1.00 0.00 C ATOM 283 CG LEU A 21 5.846 -5.687 -9.936 1.00 0.00 C ATOM 284 CD1 LEU A 21 4.914 -5.369 -8.777 1.00 0.00 C ATOM 285 CD2 LEU A 21 5.153 -6.586 -10.949 1.00 0.00 C ATOM 0 H LEU A 21 8.278 -5.763 -11.276 1.00 0.00 H new ATOM 0 HA LEU A 21 5.947 -4.902 -12.660 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.161 -4.002 -10.024 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.525 -3.665 -10.556 1.00 0.00 H new ATOM 0 HG LEU A 21 6.713 -6.217 -9.543 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.580 -6.297 -8.313 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.443 -4.765 -8.040 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.050 -4.817 -9.146 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.816 -7.498 -10.456 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.295 -6.064 -11.372 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.851 -6.842 -11.746 1.00 0.00 H new ATOM 297 N PRO A 22 6.243 -2.496 -13.296 1.00 0.00 N ATOM 298 CA PRO A 22 6.476 -1.171 -13.877 1.00 0.00 C ATOM 299 C PRO A 22 6.598 -0.085 -12.813 1.00 0.00 C ATOM 300 O PRO A 22 7.437 0.809 -12.919 1.00 0.00 O ATOM 301 CB PRO A 22 5.234 -0.937 -14.739 1.00 0.00 C ATOM 302 CG PRO A 22 4.176 -1.781 -14.116 1.00 0.00 C ATOM 303 CD PRO A 22 4.881 -2.989 -13.564 1.00 0.00 C ATOM 0 HA PRO A 22 7.412 -1.130 -14.434 1.00 0.00 H new ATOM 0 HB2 PRO A 22 4.949 0.115 -14.745 1.00 0.00 H new ATOM 0 HB3 PRO A 22 5.411 -1.225 -15.775 1.00 0.00 H new ATOM 0 HG2 PRO A 22 3.658 -1.237 -13.326 1.00 0.00 H new ATOM 0 HG3 PRO A 22 3.424 -2.070 -14.851 1.00 0.00 H new ATOM 0 HD2 PRO A 22 4.400 -3.355 -12.657 1.00 0.00 H new ATOM 0 HD3 PRO A 22 4.885 -3.813 -14.278 1.00 0.00 H new ATOM 311 N ALA A 23 5.757 -0.170 -11.788 1.00 0.00 N ATOM 312 CA ALA A 23 5.772 0.805 -10.704 1.00 0.00 C ATOM 313 C ALA A 23 7.159 0.906 -10.078 1.00 0.00 C ATOM 314 O ALA A 23 7.637 2.001 -9.779 1.00 0.00 O ATOM 315 CB ALA A 23 4.740 0.436 -9.649 1.00 0.00 C ATOM 0 H ALA A 23 5.056 -0.904 -11.685 1.00 0.00 H new ATOM 0 HA ALA A 23 5.517 1.780 -11.120 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.762 1.172 -8.845 1.00 0.00 H new ATOM 0 HB2 ALA A 23 3.748 0.421 -10.100 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.970 -0.550 -9.244 1.00 0.00 H new ATOM 321 N PHE A 24 7.800 -0.241 -9.880 1.00 0.00 N ATOM 322 CA PHE A 24 9.131 -0.281 -9.287 1.00 0.00 C ATOM 323 C PHE A 24 10.207 -0.100 -10.354 1.00 0.00 C ATOM 324 O PHE A 24 11.354 0.221 -10.046 1.00 0.00 O ATOM 325 CB PHE A 24 9.345 -1.604 -8.550 1.00 0.00 C ATOM 326 CG PHE A 24 8.524 -1.733 -7.299 1.00 0.00 C ATOM 327 CD1 PHE A 24 8.597 -0.770 -6.305 1.00 0.00 C ATOM 328 CD2 PHE A 24 7.680 -2.816 -7.117 1.00 0.00 C ATOM 329 CE1 PHE A 24 7.843 -0.887 -5.152 1.00 0.00 C ATOM 330 CE2 PHE A 24 6.923 -2.938 -5.966 1.00 0.00 C ATOM 331 CZ PHE A 24 7.004 -1.971 -4.983 1.00 0.00 C ATOM 0 H PHE A 24 7.419 -1.156 -10.122 1.00 0.00 H new ATOM 0 HA PHE A 24 9.209 0.540 -8.574 1.00 0.00 H new ATOM 0 HB2 PHE A 24 9.102 -2.428 -9.221 1.00 0.00 H new ATOM 0 HB3 PHE A 24 10.400 -1.702 -8.294 1.00 0.00 H new ATOM 0 HD1 PHE A 24 9.250 0.081 -6.432 1.00 0.00 H new ATOM 0 HD2 PHE A 24 7.612 -3.574 -7.883 1.00 0.00 H new ATOM 0 HE1 PHE A 24 7.910 -0.131 -4.384 1.00 0.00 H new ATOM 0 HE2 PHE A 24 6.270 -3.788 -5.836 1.00 0.00 H new ATOM 0 HZ PHE A 24 6.412 -2.062 -4.084 1.00 0.00 H new ATOM 341 N ALA A 25 9.827 -0.310 -11.610 1.00 0.00 N ATOM 342 CA ALA A 25 10.758 -0.169 -12.723 1.00 0.00 C ATOM 343 C ALA A 25 11.250 1.269 -12.849 1.00 0.00 C ATOM 344 O ALA A 25 12.442 1.514 -13.026 1.00 0.00 O ATOM 345 CB ALA A 25 10.102 -0.620 -14.020 1.00 0.00 C ATOM 0 H ALA A 25 8.881 -0.578 -11.882 1.00 0.00 H new ATOM 0 HA ALA A 25 11.621 -0.804 -12.525 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.808 -0.509 -14.843 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.806 -1.666 -13.934 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.221 -0.009 -14.214 1.00 0.00 H new ATOM 351 N ASN A 26 10.322 2.217 -12.758 1.00 0.00 N ATOM 352 CA ASN A 26 10.662 3.631 -12.864 1.00 0.00 C ATOM 353 C ASN A 26 11.762 4.002 -11.874 1.00 0.00 C ATOM 354 O ASN A 26 12.463 4.997 -12.054 1.00 0.00 O ATOM 355 CB ASN A 26 9.423 4.494 -12.614 1.00 0.00 C ATOM 356 CG ASN A 26 8.508 4.555 -13.821 1.00 0.00 C ATOM 357 OD1 ASN A 26 7.367 4.096 -13.772 1.00 0.00 O ATOM 358 ND2 ASN A 26 9.006 5.124 -14.913 1.00 0.00 N ATOM 0 H ASN A 26 9.330 2.031 -12.611 1.00 0.00 H new ATOM 0 HA ASN A 26 11.029 3.817 -13.873 1.00 0.00 H new ATOM 0 HB2 ASN A 26 8.871 4.095 -11.763 1.00 0.00 H new ATOM 0 HB3 ASN A 26 9.735 5.504 -12.346 1.00 0.00 H new ATOM 0 HD21 ASN A 26 8.437 5.194 -15.756 1.00 0.00 H new ATOM 0 HD22 ASN A 26 9.958 5.491 -14.908 1.00 0.00 H new ATOM 365 N MET A 27 11.907 3.194 -10.829 1.00 0.00 N ATOM 366 CA MET A 27 12.923 3.435 -9.811 1.00 0.00 C ATOM 367 C MET A 27 14.137 2.538 -10.031 1.00 0.00 C ATOM 368 O MET A 27 14.092 1.599 -10.826 1.00 0.00 O ATOM 369 CB MET A 27 12.344 3.197 -8.415 1.00 0.00 C ATOM 370 CG MET A 27 10.996 3.864 -8.194 1.00 0.00 C ATOM 371 SD MET A 27 10.269 3.447 -6.598 1.00 0.00 S ATOM 372 CE MET A 27 8.529 3.399 -7.021 1.00 0.00 C ATOM 0 H MET A 27 11.334 2.366 -10.665 1.00 0.00 H new ATOM 0 HA MET A 27 13.242 4.474 -9.891 1.00 0.00 H new ATOM 0 HB2 MET A 27 12.240 2.124 -8.252 1.00 0.00 H new ATOM 0 HB3 MET A 27 13.049 3.566 -7.670 1.00 0.00 H new ATOM 0 HG2 MET A 27 11.114 4.945 -8.264 1.00 0.00 H new ATOM 0 HG3 MET A 27 10.313 3.566 -8.989 1.00 0.00 H new ATOM 0 HE1 MET A 27 7.935 3.667 -6.147 1.00 0.00 H new ATOM 0 HE2 MET A 27 8.331 4.107 -7.826 1.00 0.00 H new ATOM 0 HE3 MET A 27 8.262 2.394 -7.348 1.00 0.00 H new ATOM 382 N THR A 28 15.222 2.834 -9.322 1.00 0.00 N ATOM 383 CA THR A 28 16.448 2.056 -9.441 1.00 0.00 C ATOM 384 C THR A 28 16.565 1.037 -8.313 1.00 0.00 C ATOM 385 O THR A 28 15.675 0.927 -7.470 1.00 0.00 O ATOM 386 CB THR A 28 17.693 2.963 -9.429 1.00 0.00 C ATOM 387 OG1 THR A 28 18.864 2.193 -9.725 1.00 0.00 O ATOM 388 CG2 THR A 28 17.855 3.642 -8.077 1.00 0.00 C ATOM 0 H THR A 28 15.276 3.607 -8.659 1.00 0.00 H new ATOM 0 HA THR A 28 16.398 1.533 -10.396 1.00 0.00 H new ATOM 0 HB THR A 28 17.562 3.732 -10.191 1.00 0.00 H new ATOM 0 HG1 THR A 28 19.651 2.778 -9.717 1.00 0.00 H new ATOM 0 HG21 THR A 28 18.741 4.277 -8.093 1.00 0.00 H new ATOM 0 HG22 THR A 28 16.975 4.251 -7.868 1.00 0.00 H new ATOM 0 HG23 THR A 28 17.965 2.885 -7.301 1.00 0.00 H new ATOM 396 N MET A 29 17.668 0.296 -8.302 1.00 0.00 N ATOM 397 CA MET A 29 17.901 -0.712 -7.275 1.00 0.00 C ATOM 398 C MET A 29 17.902 -0.083 -5.886 1.00 0.00 C ATOM 399 O MET A 29 17.020 -0.352 -5.071 1.00 0.00 O ATOM 400 CB MET A 29 19.230 -1.428 -7.525 1.00 0.00 C ATOM 401 CG MET A 29 19.522 -2.534 -6.523 1.00 0.00 C ATOM 402 SD MET A 29 18.177 -3.727 -6.394 1.00 0.00 S ATOM 403 CE MET A 29 18.692 -4.950 -7.598 1.00 0.00 C ATOM 0 H MET A 29 18.414 0.375 -8.993 1.00 0.00 H new ATOM 0 HA MET A 29 17.090 -1.439 -7.324 1.00 0.00 H new ATOM 0 HB2 MET A 29 19.222 -1.852 -8.529 1.00 0.00 H new ATOM 0 HB3 MET A 29 20.038 -0.698 -7.494 1.00 0.00 H new ATOM 0 HG2 MET A 29 20.435 -3.052 -6.816 1.00 0.00 H new ATOM 0 HG3 MET A 29 19.706 -2.092 -5.544 1.00 0.00 H new ATOM 0 HE1 MET A 29 17.817 -5.479 -7.977 1.00 0.00 H new ATOM 0 HE2 MET A 29 19.202 -4.455 -8.424 1.00 0.00 H new ATOM 0 HE3 MET A 29 19.370 -5.661 -7.127 1.00 0.00 H new ATOM 413 N SER A 30 18.899 0.757 -5.622 1.00 0.00 N ATOM 414 CA SER A 30 19.017 1.421 -4.330 1.00 0.00 C ATOM 415 C SER A 30 17.640 1.759 -3.765 1.00 0.00 C ATOM 416 O SER A 30 17.370 1.540 -2.584 1.00 0.00 O ATOM 417 CB SER A 30 19.853 2.696 -4.462 1.00 0.00 C ATOM 418 OG SER A 30 21.211 2.389 -4.728 1.00 0.00 O ATOM 0 H SER A 30 19.636 0.993 -6.286 1.00 0.00 H new ATOM 0 HA SER A 30 19.515 0.738 -3.643 1.00 0.00 H new ATOM 0 HB2 SER A 30 19.453 3.316 -5.264 1.00 0.00 H new ATOM 0 HB3 SER A 30 19.782 3.278 -3.543 1.00 0.00 H new ATOM 0 HG SER A 30 21.724 3.220 -4.810 1.00 0.00 H new ATOM 424 N VAL A 31 16.773 2.296 -4.617 1.00 0.00 N ATOM 425 CA VAL A 31 15.424 2.664 -4.205 1.00 0.00 C ATOM 426 C VAL A 31 14.642 1.445 -3.730 1.00 0.00 C ATOM 427 O VAL A 31 13.979 1.485 -2.694 1.00 0.00 O ATOM 428 CB VAL A 31 14.651 3.340 -5.354 1.00 0.00 C ATOM 429 CG1 VAL A 31 13.174 3.455 -5.008 1.00 0.00 C ATOM 430 CG2 VAL A 31 15.243 4.707 -5.662 1.00 0.00 C ATOM 0 H VAL A 31 16.981 2.486 -5.597 1.00 0.00 H new ATOM 0 HA VAL A 31 15.527 3.370 -3.381 1.00 0.00 H new ATOM 0 HB VAL A 31 14.744 2.720 -6.246 1.00 0.00 H new ATOM 0 HG11 VAL A 31 12.644 3.935 -5.831 1.00 0.00 H new ATOM 0 HG12 VAL A 31 12.761 2.460 -4.841 1.00 0.00 H new ATOM 0 HG13 VAL A 31 13.058 4.053 -4.104 1.00 0.00 H new ATOM 0 HG21 VAL A 31 14.685 5.170 -6.476 1.00 0.00 H new ATOM 0 HG22 VAL A 31 15.182 5.338 -4.775 1.00 0.00 H new ATOM 0 HG23 VAL A 31 16.286 4.594 -5.956 1.00 0.00 H new ATOM 440 N ARG A 32 14.726 0.361 -4.495 1.00 0.00 N ATOM 441 CA ARG A 32 14.026 -0.871 -4.152 1.00 0.00 C ATOM 442 C ARG A 32 14.413 -1.347 -2.755 1.00 0.00 C ATOM 443 O ARG A 32 13.603 -1.307 -1.828 1.00 0.00 O ATOM 444 CB ARG A 32 14.337 -1.962 -5.178 1.00 0.00 C ATOM 445 CG ARG A 32 13.789 -1.669 -6.565 1.00 0.00 C ATOM 446 CD ARG A 32 14.324 -2.651 -7.595 1.00 0.00 C ATOM 447 NE ARG A 32 13.997 -2.246 -8.960 1.00 0.00 N ATOM 448 CZ ARG A 32 14.444 -2.876 -10.041 1.00 0.00 C ATOM 449 NH1 ARG A 32 15.233 -3.934 -9.917 1.00 0.00 N ATOM 450 NH2 ARG A 32 14.102 -2.447 -11.249 1.00 0.00 N ATOM 0 H ARG A 32 15.271 0.311 -5.356 1.00 0.00 H new ATOM 0 HA ARG A 32 12.956 -0.665 -4.163 1.00 0.00 H new ATOM 0 HB2 ARG A 32 15.417 -2.090 -5.243 1.00 0.00 H new ATOM 0 HB3 ARG A 32 13.925 -2.908 -4.826 1.00 0.00 H new ATOM 0 HG2 ARG A 32 12.700 -1.718 -6.545 1.00 0.00 H new ATOM 0 HG3 ARG A 32 14.057 -0.653 -6.856 1.00 0.00 H new ATOM 0 HD2 ARG A 32 15.406 -2.732 -7.490 1.00 0.00 H new ATOM 0 HD3 ARG A 32 13.910 -3.641 -7.402 1.00 0.00 H new ATOM 0 HE ARG A 32 13.392 -1.435 -9.090 1.00 0.00 H new ATOM 0 HH11 ARG A 32 15.498 -4.266 -8.990 1.00 0.00 H new ATOM 0 HH12 ARG A 32 15.575 -4.416 -10.749 1.00 0.00 H new ATOM 0 HH21 ARG A 32 13.495 -1.633 -11.348 1.00 0.00 H new ATOM 0 HH22 ARG A 32 14.446 -2.931 -12.078 1.00 0.00 H new ATOM 464 N ARG A 33 15.655 -1.796 -2.612 1.00 0.00 N ATOM 465 CA ARG A 33 16.149 -2.280 -1.328 1.00 0.00 C ATOM 466 C ARG A 33 15.690 -1.372 -0.191 1.00 0.00 C ATOM 467 O ARG A 33 15.214 -1.846 0.840 1.00 0.00 O ATOM 468 CB ARG A 33 17.677 -2.363 -1.344 1.00 0.00 C ATOM 469 CG ARG A 33 18.281 -2.727 0.002 1.00 0.00 C ATOM 470 CD ARG A 33 19.619 -3.432 -0.160 1.00 0.00 C ATOM 471 NE ARG A 33 20.226 -3.756 1.128 1.00 0.00 N ATOM 472 CZ ARG A 33 21.255 -4.585 1.268 1.00 0.00 C ATOM 473 NH1 ARG A 33 21.789 -5.168 0.204 1.00 0.00 N ATOM 474 NH2 ARG A 33 21.752 -4.830 2.473 1.00 0.00 N ATOM 0 H ARG A 33 16.338 -1.835 -3.369 1.00 0.00 H new ATOM 0 HA ARG A 33 15.739 -3.276 -1.162 1.00 0.00 H new ATOM 0 HB2 ARG A 33 17.985 -3.103 -2.083 1.00 0.00 H new ATOM 0 HB3 ARG A 33 18.081 -1.404 -1.667 1.00 0.00 H new ATOM 0 HG2 ARG A 33 18.414 -1.824 0.598 1.00 0.00 H new ATOM 0 HG3 ARG A 33 17.593 -3.372 0.549 1.00 0.00 H new ATOM 0 HD2 ARG A 33 19.479 -4.347 -0.735 1.00 0.00 H new ATOM 0 HD3 ARG A 33 20.297 -2.797 -0.731 1.00 0.00 H new ATOM 0 HE ARG A 33 19.839 -3.322 1.966 1.00 0.00 H new ATOM 0 HH11 ARG A 33 21.410 -4.981 -0.724 1.00 0.00 H new ATOM 0 HH12 ARG A 33 22.579 -5.804 0.314 1.00 0.00 H new ATOM 0 HH21 ARG A 33 21.344 -4.382 3.294 1.00 0.00 H new ATOM 0 HH22 ARG A 33 22.542 -5.467 2.579 1.00 0.00 H new ATOM 488 N GLU A 34 15.837 -0.066 -0.388 1.00 0.00 N ATOM 489 CA GLU A 34 15.438 0.907 0.622 1.00 0.00 C ATOM 490 C GLU A 34 13.957 0.765 0.960 1.00 0.00 C ATOM 491 O GLU A 34 13.579 0.693 2.130 1.00 0.00 O ATOM 492 CB GLU A 34 15.727 2.329 0.135 1.00 0.00 C ATOM 493 CG GLU A 34 17.209 2.660 0.071 1.00 0.00 C ATOM 494 CD GLU A 34 17.485 3.954 -0.670 1.00 0.00 C ATOM 495 OE1 GLU A 34 17.445 5.025 -0.028 1.00 0.00 O ATOM 496 OE2 GLU A 34 17.742 3.896 -1.891 1.00 0.00 O ATOM 0 H GLU A 34 16.229 0.342 -1.237 1.00 0.00 H new ATOM 0 HA GLU A 34 16.019 0.714 1.524 1.00 0.00 H new ATOM 0 HB2 GLU A 34 15.291 2.461 -0.855 1.00 0.00 H new ATOM 0 HB3 GLU A 34 15.233 3.039 0.798 1.00 0.00 H new ATOM 0 HG2 GLU A 34 17.605 2.734 1.084 1.00 0.00 H new ATOM 0 HG3 GLU A 34 17.739 1.844 -0.420 1.00 0.00 H new ATOM 503 N LEU A 35 13.122 0.726 -0.073 1.00 0.00 N ATOM 504 CA LEU A 35 11.681 0.593 0.112 1.00 0.00 C ATOM 505 C LEU A 35 11.350 -0.650 0.932 1.00 0.00 C ATOM 506 O LEU A 35 10.573 -0.588 1.886 1.00 0.00 O ATOM 507 CB LEU A 35 10.977 0.526 -1.244 1.00 0.00 C ATOM 508 CG LEU A 35 10.770 1.861 -1.960 1.00 0.00 C ATOM 509 CD1 LEU A 35 10.559 1.641 -3.450 1.00 0.00 C ATOM 510 CD2 LEU A 35 9.592 2.613 -1.357 1.00 0.00 C ATOM 0 H LEU A 35 13.418 0.785 -1.047 1.00 0.00 H new ATOM 0 HA LEU A 35 11.327 1.469 0.655 1.00 0.00 H new ATOM 0 HB2 LEU A 35 11.553 -0.129 -1.898 1.00 0.00 H new ATOM 0 HB3 LEU A 35 10.003 0.058 -1.102 1.00 0.00 H new ATOM 0 HG LEU A 35 11.667 2.466 -1.827 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.413 2.602 -3.943 1.00 0.00 H new ATOM 0 HD12 LEU A 35 11.433 1.146 -3.872 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.679 1.017 -3.605 1.00 0.00 H new ATOM 0 HD21 LEU A 35 9.460 3.561 -1.879 1.00 0.00 H new ATOM 0 HD22 LEU A 35 8.687 2.013 -1.458 1.00 0.00 H new ATOM 0 HD23 LEU A 35 9.784 2.804 -0.301 1.00 0.00 H new ATOM 522 N CYS A 36 11.945 -1.776 0.556 1.00 0.00 N ATOM 523 CA CYS A 36 11.714 -3.034 1.257 1.00 0.00 C ATOM 524 C CYS A 36 12.016 -2.890 2.745 1.00 0.00 C ATOM 525 O CYS A 36 11.626 -3.734 3.552 1.00 0.00 O ATOM 526 CB CYS A 36 12.577 -4.144 0.654 1.00 0.00 C ATOM 527 SG CYS A 36 12.119 -5.809 1.191 1.00 0.00 S ATOM 0 H CYS A 36 12.591 -1.844 -0.230 1.00 0.00 H new ATOM 0 HA CYS A 36 10.663 -3.298 1.142 1.00 0.00 H new ATOM 0 HB2 CYS A 36 12.509 -4.093 -0.433 1.00 0.00 H new ATOM 0 HB3 CYS A 36 13.619 -3.963 0.917 1.00 0.00 H new ATOM 0 HG CYS A 36 11.737 -5.775 2.433 1.00 0.00 H new ATOM 533 N SER A 37 12.715 -1.817 3.101 1.00 0.00 N ATOM 534 CA SER A 37 13.075 -1.566 4.491 1.00 0.00 C ATOM 535 C SER A 37 12.038 -0.674 5.168 1.00 0.00 C ATOM 536 O SER A 37 11.938 -0.639 6.394 1.00 0.00 O ATOM 537 CB SER A 37 14.456 -0.913 4.573 1.00 0.00 C ATOM 538 OG SER A 37 15.041 -1.113 5.848 1.00 0.00 O ATOM 0 H SER A 37 13.043 -1.108 2.446 1.00 0.00 H new ATOM 0 HA SER A 37 13.102 -2.523 5.012 1.00 0.00 H new ATOM 0 HB2 SER A 37 15.105 -1.330 3.803 1.00 0.00 H new ATOM 0 HB3 SER A 37 14.369 0.155 4.373 1.00 0.00 H new ATOM 0 HG SER A 37 15.923 -0.687 5.873 1.00 0.00 H new ATOM 544 N VAL A 38 11.268 0.046 4.358 1.00 0.00 N ATOM 545 CA VAL A 38 10.237 0.937 4.877 1.00 0.00 C ATOM 546 C VAL A 38 8.860 0.553 4.346 1.00 0.00 C ATOM 547 O VAL A 38 7.940 1.369 4.331 1.00 0.00 O ATOM 548 CB VAL A 38 10.526 2.404 4.508 1.00 0.00 C ATOM 549 CG1 VAL A 38 11.980 2.749 4.789 1.00 0.00 C ATOM 550 CG2 VAL A 38 10.180 2.664 3.050 1.00 0.00 C ATOM 0 H VAL A 38 11.339 0.030 3.341 1.00 0.00 H new ATOM 0 HA VAL A 38 10.246 0.834 5.962 1.00 0.00 H new ATOM 0 HB VAL A 38 9.899 3.046 5.127 1.00 0.00 H new ATOM 0 HG11 VAL A 38 12.165 3.789 4.522 1.00 0.00 H new ATOM 0 HG12 VAL A 38 12.190 2.603 5.849 1.00 0.00 H new ATOM 0 HG13 VAL A 38 12.628 2.102 4.198 1.00 0.00 H new ATOM 0 HG21 VAL A 38 10.390 3.705 2.806 1.00 0.00 H new ATOM 0 HG22 VAL A 38 10.779 2.014 2.412 1.00 0.00 H new ATOM 0 HG23 VAL A 38 9.122 2.459 2.885 1.00 0.00 H new ATOM 560 N MET A 39 8.727 -0.696 3.912 1.00 0.00 N ATOM 561 CA MET A 39 7.461 -1.190 3.382 1.00 0.00 C ATOM 562 C MET A 39 6.890 -2.288 4.273 1.00 0.00 C ATOM 563 O MET A 39 7.628 -3.128 4.789 1.00 0.00 O ATOM 564 CB MET A 39 7.651 -1.718 1.959 1.00 0.00 C ATOM 565 CG MET A 39 7.989 -3.199 1.901 1.00 0.00 C ATOM 566 SD MET A 39 8.044 -3.833 0.214 1.00 0.00 S ATOM 567 CE MET A 39 8.829 -2.466 -0.636 1.00 0.00 C ATOM 0 H MET A 39 9.480 -1.384 3.917 1.00 0.00 H new ATOM 0 HA MET A 39 6.755 -0.360 3.362 1.00 0.00 H new ATOM 0 HB2 MET A 39 6.739 -1.539 1.389 1.00 0.00 H new ATOM 0 HB3 MET A 39 8.447 -1.153 1.474 1.00 0.00 H new ATOM 0 HG2 MET A 39 8.954 -3.367 2.380 1.00 0.00 H new ATOM 0 HG3 MET A 39 7.248 -3.759 2.472 1.00 0.00 H new ATOM 0 HE1 MET A 39 9.486 -2.851 -1.416 1.00 0.00 H new ATOM 0 HE2 MET A 39 8.066 -1.831 -1.086 1.00 0.00 H new ATOM 0 HE3 MET A 39 9.414 -1.883 0.075 1.00 0.00 H new ATOM 577 N ILE A 40 5.573 -2.276 4.449 1.00 0.00 N ATOM 578 CA ILE A 40 4.904 -3.272 5.277 1.00 0.00 C ATOM 579 C ILE A 40 4.475 -4.477 4.448 1.00 0.00 C ATOM 580 O ILE A 40 4.342 -4.389 3.227 1.00 0.00 O ATOM 581 CB ILE A 40 3.669 -2.681 5.981 1.00 0.00 C ATOM 582 CG1 ILE A 40 4.093 -1.620 6.998 1.00 0.00 C ATOM 583 CG2 ILE A 40 2.868 -3.783 6.660 1.00 0.00 C ATOM 584 CD1 ILE A 40 4.286 -0.246 6.394 1.00 0.00 C ATOM 0 H ILE A 40 4.948 -1.588 4.029 1.00 0.00 H new ATOM 0 HA ILE A 40 5.624 -3.591 6.031 1.00 0.00 H new ATOM 0 HB ILE A 40 3.035 -2.206 5.232 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.340 -1.560 7.784 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.023 -1.934 7.472 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.998 -3.349 7.153 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.539 -4.506 5.914 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.493 -4.284 7.400 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.586 0.455 7.173 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.060 -0.291 5.628 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.351 0.089 5.945 1.00 0.00 H new ATOM 596 N PHE A 41 4.257 -5.603 5.119 1.00 0.00 N ATOM 597 CA PHE A 41 3.841 -6.828 4.445 1.00 0.00 C ATOM 598 C PHE A 41 2.424 -7.219 4.854 1.00 0.00 C ATOM 599 O PHE A 41 2.188 -7.637 5.987 1.00 0.00 O ATOM 600 CB PHE A 41 4.810 -7.967 4.767 1.00 0.00 C ATOM 601 CG PHE A 41 6.023 -7.990 3.881 1.00 0.00 C ATOM 602 CD1 PHE A 41 7.136 -7.224 4.188 1.00 0.00 C ATOM 603 CD2 PHE A 41 6.050 -8.778 2.741 1.00 0.00 C ATOM 604 CE1 PHE A 41 8.253 -7.243 3.374 1.00 0.00 C ATOM 605 CE2 PHE A 41 7.165 -8.802 1.924 1.00 0.00 C ATOM 606 CZ PHE A 41 8.268 -8.034 2.241 1.00 0.00 C ATOM 0 H PHE A 41 4.362 -5.693 6.130 1.00 0.00 H new ATOM 0 HA PHE A 41 3.852 -6.644 3.371 1.00 0.00 H new ATOM 0 HB2 PHE A 41 5.130 -7.879 5.805 1.00 0.00 H new ATOM 0 HB3 PHE A 41 4.284 -8.918 4.675 1.00 0.00 H new ATOM 0 HD1 PHE A 41 7.131 -6.605 5.073 1.00 0.00 H new ATOM 0 HD2 PHE A 41 5.190 -9.380 2.488 1.00 0.00 H new ATOM 0 HE1 PHE A 41 9.114 -6.640 3.623 1.00 0.00 H new ATOM 0 HE2 PHE A 41 7.173 -9.421 1.039 1.00 0.00 H new ATOM 0 HZ PHE A 41 9.141 -8.052 1.605 1.00 0.00 H new ATOM 616 N GLU A 42 1.486 -7.081 3.922 1.00 0.00 N ATOM 617 CA GLU A 42 0.092 -7.419 4.186 1.00 0.00 C ATOM 618 C GLU A 42 -0.505 -8.210 3.026 1.00 0.00 C ATOM 619 O GLU A 42 -0.119 -8.027 1.871 1.00 0.00 O ATOM 620 CB GLU A 42 -0.727 -6.150 4.428 1.00 0.00 C ATOM 621 CG GLU A 42 -0.777 -5.726 5.887 1.00 0.00 C ATOM 622 CD GLU A 42 -1.404 -6.780 6.779 1.00 0.00 C ATOM 623 OE1 GLU A 42 -2.510 -7.256 6.446 1.00 0.00 O ATOM 624 OE2 GLU A 42 -0.790 -7.129 7.808 1.00 0.00 O ATOM 0 H GLU A 42 1.666 -6.738 2.978 1.00 0.00 H new ATOM 0 HA GLU A 42 0.059 -8.040 5.081 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.305 -5.337 3.837 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -1.744 -6.310 4.070 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.234 -5.515 6.235 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.343 -4.799 5.973 1.00 0.00 H new ATOM 631 N VAL A 43 -1.450 -9.090 3.341 1.00 0.00 N ATOM 632 CA VAL A 43 -2.102 -9.909 2.326 1.00 0.00 C ATOM 633 C VAL A 43 -3.519 -10.280 2.746 1.00 0.00 C ATOM 634 O VAL A 43 -3.733 -10.841 3.821 1.00 0.00 O ATOM 635 CB VAL A 43 -1.306 -11.198 2.049 1.00 0.00 C ATOM 636 CG1 VAL A 43 -1.147 -12.012 3.324 1.00 0.00 C ATOM 637 CG2 VAL A 43 -1.985 -12.019 0.963 1.00 0.00 C ATOM 0 H VAL A 43 -1.781 -9.254 4.292 1.00 0.00 H new ATOM 0 HA VAL A 43 -2.141 -9.312 1.415 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.312 -10.923 1.697 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.582 -12.919 3.109 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.614 -11.421 4.069 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.131 -12.280 3.709 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.410 -12.926 0.780 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.992 -12.286 1.285 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.041 -11.433 0.045 1.00 0.00 H new ATOM 647 N VAL A 44 -4.486 -9.963 1.891 1.00 0.00 N ATOM 648 CA VAL A 44 -5.885 -10.264 2.172 1.00 0.00 C ATOM 649 C VAL A 44 -6.211 -11.717 1.844 1.00 0.00 C ATOM 650 O VAL A 44 -5.865 -12.214 0.773 1.00 0.00 O ATOM 651 CB VAL A 44 -6.829 -9.345 1.374 1.00 0.00 C ATOM 652 CG1 VAL A 44 -8.281 -9.656 1.703 1.00 0.00 C ATOM 653 CG2 VAL A 44 -6.511 -7.884 1.654 1.00 0.00 C ATOM 0 H VAL A 44 -4.326 -9.498 0.998 1.00 0.00 H new ATOM 0 HA VAL A 44 -6.038 -10.092 3.237 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.675 -9.529 0.311 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -8.933 -8.997 1.130 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -8.498 -10.693 1.447 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -8.454 -9.501 2.768 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -7.187 -7.248 1.082 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.636 -7.682 2.718 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.482 -7.673 1.363 1.00 0.00 H new ATOM 663 N GLU A 45 -6.878 -12.393 2.775 1.00 0.00 N ATOM 664 CA GLU A 45 -7.250 -13.789 2.583 1.00 0.00 C ATOM 665 C GLU A 45 -8.689 -13.906 2.089 1.00 0.00 C ATOM 666 O GLU A 45 -9.010 -14.779 1.283 1.00 0.00 O ATOM 667 CB GLU A 45 -7.084 -14.568 3.890 1.00 0.00 C ATOM 668 CG GLU A 45 -5.677 -15.100 4.106 1.00 0.00 C ATOM 669 CD GLU A 45 -5.620 -16.185 5.165 1.00 0.00 C ATOM 670 OE1 GLU A 45 -6.423 -16.126 6.119 1.00 0.00 O ATOM 671 OE2 GLU A 45 -4.771 -17.092 5.038 1.00 0.00 O ATOM 0 H GLU A 45 -7.171 -11.997 3.668 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.589 -14.214 1.828 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.351 -13.921 4.725 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.784 -15.403 3.897 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.293 -15.495 3.165 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.023 -14.278 4.397 1.00 0.00 H new ATOM 678 N GLN A 46 -9.551 -13.021 2.579 1.00 0.00 N ATOM 679 CA GLN A 46 -10.956 -13.026 2.188 1.00 0.00 C ATOM 680 C GLN A 46 -11.216 -12.012 1.079 1.00 0.00 C ATOM 681 O GLN A 46 -11.164 -10.803 1.305 1.00 0.00 O ATOM 682 CB GLN A 46 -11.844 -12.718 3.395 1.00 0.00 C ATOM 683 CG GLN A 46 -12.083 -13.918 4.297 1.00 0.00 C ATOM 684 CD GLN A 46 -12.354 -13.523 5.735 1.00 0.00 C ATOM 685 OE1 GLN A 46 -13.475 -13.153 6.088 1.00 0.00 O ATOM 686 NE2 GLN A 46 -11.328 -13.598 6.574 1.00 0.00 N ATOM 0 H GLN A 46 -9.301 -12.292 3.247 1.00 0.00 H new ATOM 0 HA GLN A 46 -11.199 -14.020 1.811 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -11.385 -11.921 3.979 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -12.804 -12.342 3.042 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -12.928 -14.491 3.916 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -11.212 -14.573 4.262 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -10.417 -13.910 6.239 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -11.451 -13.344 7.554 1.00 0.00 H new ATOM 695 N ALA A 47 -11.495 -12.513 -0.120 1.00 0.00 N ATOM 696 CA ALA A 47 -11.764 -11.651 -1.264 1.00 0.00 C ATOM 697 C ALA A 47 -12.845 -10.626 -0.937 1.00 0.00 C ATOM 698 O ALA A 47 -13.383 -10.609 0.169 1.00 0.00 O ATOM 699 CB ALA A 47 -12.172 -12.485 -2.469 1.00 0.00 C ATOM 0 H ALA A 47 -11.541 -13.511 -0.324 1.00 0.00 H new ATOM 0 HA ALA A 47 -10.848 -11.111 -1.503 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -12.370 -11.828 -3.316 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -11.367 -13.174 -2.724 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -13.072 -13.052 -2.231 1.00 0.00 H new ATOM 705 N GLY A 48 -13.158 -9.772 -1.907 1.00 0.00 N ATOM 706 CA GLY A 48 -14.173 -8.756 -1.702 1.00 0.00 C ATOM 707 C GLY A 48 -13.854 -7.845 -0.533 1.00 0.00 C ATOM 708 O GLY A 48 -14.732 -7.155 -0.017 1.00 0.00 O ATOM 0 H GLY A 48 -12.726 -9.766 -2.831 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -14.272 -8.158 -2.608 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -15.136 -9.238 -1.531 1.00 0.00 H new ATOM 712 N ALA A 49 -12.593 -7.845 -0.113 1.00 0.00 N ATOM 713 CA ALA A 49 -12.160 -7.012 1.003 1.00 0.00 C ATOM 714 C ALA A 49 -11.909 -5.577 0.551 1.00 0.00 C ATOM 715 O ALA A 49 -11.312 -5.343 -0.500 1.00 0.00 O ATOM 716 CB ALA A 49 -10.906 -7.594 1.640 1.00 0.00 C ATOM 0 H ALA A 49 -11.854 -8.412 -0.528 1.00 0.00 H new ATOM 0 HA ALA A 49 -12.958 -6.997 1.745 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -10.594 -6.962 2.472 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -11.117 -8.599 2.007 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -10.108 -7.638 0.899 1.00 0.00 H new ATOM 722 N ILE A 50 -12.368 -4.621 1.352 1.00 0.00 N ATOM 723 CA ILE A 50 -12.193 -3.210 1.034 1.00 0.00 C ATOM 724 C ILE A 50 -10.784 -2.739 1.380 1.00 0.00 C ATOM 725 O ILE A 50 -10.423 -2.639 2.553 1.00 0.00 O ATOM 726 CB ILE A 50 -13.213 -2.333 1.784 1.00 0.00 C ATOM 727 CG1 ILE A 50 -14.637 -2.682 1.346 1.00 0.00 C ATOM 728 CG2 ILE A 50 -12.925 -0.859 1.541 1.00 0.00 C ATOM 729 CD1 ILE A 50 -15.005 -4.130 1.586 1.00 0.00 C ATOM 0 H ILE A 50 -12.864 -4.798 2.226 1.00 0.00 H new ATOM 0 HA ILE A 50 -12.356 -3.106 -0.039 1.00 0.00 H new ATOM 0 HB ILE A 50 -13.122 -2.529 2.852 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -15.340 -2.043 1.881 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -14.747 -2.459 0.285 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -13.654 -0.252 2.078 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -11.923 -0.621 1.897 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -12.991 -0.646 0.474 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -16.028 -4.306 1.252 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -14.325 -4.775 1.029 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -14.927 -4.354 2.650 1.00 0.00 H new ATOM 741 N ILE A 51 -9.993 -2.450 0.352 1.00 0.00 N ATOM 742 CA ILE A 51 -8.625 -1.988 0.548 1.00 0.00 C ATOM 743 C ILE A 51 -8.598 -0.546 1.045 1.00 0.00 C ATOM 744 O ILE A 51 -7.828 -0.202 1.942 1.00 0.00 O ATOM 745 CB ILE A 51 -7.806 -2.085 -0.753 1.00 0.00 C ATOM 746 CG1 ILE A 51 -8.160 -3.368 -1.509 1.00 0.00 C ATOM 747 CG2 ILE A 51 -6.317 -2.038 -0.447 1.00 0.00 C ATOM 748 CD1 ILE A 51 -8.026 -4.620 -0.670 1.00 0.00 C ATOM 0 H ILE A 51 -10.276 -2.528 -0.625 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.177 -2.638 1.299 1.00 0.00 H new ATOM 0 HB ILE A 51 -8.054 -1.232 -1.385 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -9.184 -3.294 -1.875 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -7.514 -3.455 -2.383 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -5.752 -2.108 -1.377 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.078 -1.100 0.054 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -6.052 -2.873 0.202 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -8.293 -5.490 -1.270 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -6.997 -4.718 -0.325 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -8.692 -4.554 0.190 1.00 0.00 H new ATOM 760 N LEU A 52 -9.445 0.292 0.458 1.00 0.00 N ATOM 761 CA LEU A 52 -9.521 1.697 0.842 1.00 0.00 C ATOM 762 C LEU A 52 -10.963 2.192 0.817 1.00 0.00 C ATOM 763 O LEU A 52 -11.881 1.441 0.488 1.00 0.00 O ATOM 764 CB LEU A 52 -8.660 2.549 -0.093 1.00 0.00 C ATOM 765 CG LEU A 52 -7.149 2.342 0.010 1.00 0.00 C ATOM 766 CD1 LEU A 52 -6.437 3.015 -1.153 1.00 0.00 C ATOM 767 CD2 LEU A 52 -6.627 2.873 1.337 1.00 0.00 C ATOM 0 H LEU A 52 -10.089 0.023 -0.286 1.00 0.00 H new ATOM 0 HA LEU A 52 -9.143 1.791 1.860 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.965 2.347 -1.120 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.877 3.599 0.103 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.944 1.272 -0.036 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.362 2.857 -1.062 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -6.789 2.587 -2.092 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.649 4.084 -1.140 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.550 2.717 1.393 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -6.844 3.938 1.413 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.113 2.344 2.157 1.00 0.00 H new ATOM 779 N GLU A 53 -11.155 3.461 1.164 1.00 0.00 N ATOM 780 CA GLU A 53 -12.486 4.056 1.179 1.00 0.00 C ATOM 781 C GLU A 53 -12.469 5.443 0.543 1.00 0.00 C ATOM 782 O GLU A 53 -11.592 6.258 0.829 1.00 0.00 O ATOM 783 CB GLU A 53 -13.012 4.147 2.613 1.00 0.00 C ATOM 784 CG GLU A 53 -13.376 2.800 3.215 1.00 0.00 C ATOM 785 CD GLU A 53 -13.863 2.912 4.647 1.00 0.00 C ATOM 786 OE1 GLU A 53 -13.013 2.922 5.562 1.00 0.00 O ATOM 787 OE2 GLU A 53 -15.092 2.990 4.851 1.00 0.00 O ATOM 0 H GLU A 53 -10.406 4.096 1.438 1.00 0.00 H new ATOM 0 HA GLU A 53 -13.149 3.416 0.596 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -12.257 4.623 3.238 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -13.891 4.792 2.628 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -14.151 2.332 2.607 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -12.506 2.144 3.182 1.00 0.00 H new ATOM 794 N ASP A 54 -13.445 5.702 -0.321 1.00 0.00 N ATOM 795 CA ASP A 54 -13.544 6.990 -0.998 1.00 0.00 C ATOM 796 C ASP A 54 -13.701 8.123 0.011 1.00 0.00 C ATOM 797 O ASP A 54 -14.491 8.028 0.949 1.00 0.00 O ATOM 798 CB ASP A 54 -14.723 6.989 -1.971 1.00 0.00 C ATOM 799 CG ASP A 54 -15.218 8.388 -2.283 1.00 0.00 C ATOM 800 OD1 ASP A 54 -14.379 9.255 -2.606 1.00 0.00 O ATOM 801 OD2 ASP A 54 -16.443 8.616 -2.203 1.00 0.00 O ATOM 0 H ASP A 54 -14.178 5.038 -0.569 1.00 0.00 H new ATOM 0 HA ASP A 54 -12.622 7.151 -1.557 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -14.426 6.497 -2.897 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -15.539 6.404 -1.547 1.00 0.00 H new ATOM 806 N GLY A 55 -12.942 9.197 -0.189 1.00 0.00 N ATOM 807 CA GLY A 55 -13.012 10.333 0.711 1.00 0.00 C ATOM 808 C GLY A 55 -12.142 10.153 1.940 1.00 0.00 C ATOM 809 O GLY A 55 -12.537 10.520 3.046 1.00 0.00 O ATOM 0 H GLY A 55 -12.280 9.300 -0.958 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -12.703 11.233 0.180 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -14.046 10.484 1.021 1.00 0.00 H new ATOM 813 N GLN A 56 -10.956 9.585 1.745 1.00 0.00 N ATOM 814 CA GLN A 56 -10.030 9.356 2.847 1.00 0.00 C ATOM 815 C GLN A 56 -8.651 9.924 2.527 1.00 0.00 C ATOM 816 O GLN A 56 -8.202 9.878 1.383 1.00 0.00 O ATOM 817 CB GLN A 56 -9.921 7.859 3.146 1.00 0.00 C ATOM 818 CG GLN A 56 -8.868 7.522 4.189 1.00 0.00 C ATOM 819 CD GLN A 56 -7.506 7.255 3.579 1.00 0.00 C ATOM 820 OE1 GLN A 56 -7.146 7.838 2.556 1.00 0.00 O ATOM 821 NE2 GLN A 56 -6.741 6.368 4.204 1.00 0.00 N ATOM 0 H GLN A 56 -10.614 9.275 0.835 1.00 0.00 H new ATOM 0 HA GLN A 56 -10.418 9.868 3.727 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -10.889 7.494 3.488 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -9.689 7.329 2.223 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -8.789 8.345 4.899 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -9.188 6.645 4.752 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -7.079 5.908 5.049 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -5.815 6.146 3.839 1.00 0.00 H new ATOM 830 N GLU A 57 -7.986 10.459 3.546 1.00 0.00 N ATOM 831 CA GLU A 57 -6.659 11.037 3.372 1.00 0.00 C ATOM 832 C GLU A 57 -5.602 9.944 3.243 1.00 0.00 C ATOM 833 O GLU A 57 -5.158 9.373 4.241 1.00 0.00 O ATOM 834 CB GLU A 57 -6.319 11.954 4.549 1.00 0.00 C ATOM 835 CG GLU A 57 -5.040 12.750 4.351 1.00 0.00 C ATOM 836 CD GLU A 57 -4.410 13.178 5.662 1.00 0.00 C ATOM 837 OE1 GLU A 57 -4.479 12.398 6.635 1.00 0.00 O ATOM 838 OE2 GLU A 57 -3.850 14.293 5.716 1.00 0.00 O ATOM 0 H GLU A 57 -8.344 10.504 4.500 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.664 11.624 2.453 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -7.146 12.646 4.711 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.226 11.352 5.453 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.326 12.149 3.788 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.256 13.634 3.750 1.00 0.00 H new ATOM 845 N LEU A 58 -5.202 9.658 2.009 1.00 0.00 N ATOM 846 CA LEU A 58 -4.198 8.633 1.748 1.00 0.00 C ATOM 847 C LEU A 58 -2.854 9.020 2.358 1.00 0.00 C ATOM 848 O LEU A 58 -2.272 10.045 2.003 1.00 0.00 O ATOM 849 CB LEU A 58 -4.043 8.414 0.242 1.00 0.00 C ATOM 850 CG LEU A 58 -5.292 7.934 -0.498 1.00 0.00 C ATOM 851 CD1 LEU A 58 -5.289 8.438 -1.933 1.00 0.00 C ATOM 852 CD2 LEU A 58 -5.382 6.415 -0.464 1.00 0.00 C ATOM 0 H LEU A 58 -5.558 10.122 1.173 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.533 7.705 2.211 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.715 9.350 -0.209 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.247 7.687 0.081 1.00 0.00 H new ATOM 0 HG LEU A 58 -6.168 8.341 0.006 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.185 8.086 -2.444 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.274 9.528 -1.936 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.406 8.061 -2.449 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.277 6.092 -0.995 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.501 5.988 -0.943 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.432 6.077 0.571 1.00 0.00 H new ATOM 864 N ASP A 59 -2.366 8.192 3.276 1.00 0.00 N ATOM 865 CA ASP A 59 -1.089 8.446 3.933 1.00 0.00 C ATOM 866 C ASP A 59 -0.145 7.260 3.760 1.00 0.00 C ATOM 867 O ASP A 59 0.747 7.041 4.579 1.00 0.00 O ATOM 868 CB ASP A 59 -1.305 8.731 5.420 1.00 0.00 C ATOM 869 CG ASP A 59 -1.959 7.570 6.143 1.00 0.00 C ATOM 870 OD1 ASP A 59 -3.197 7.434 6.048 1.00 0.00 O ATOM 871 OD2 ASP A 59 -1.233 6.798 6.803 1.00 0.00 O ATOM 0 H ASP A 59 -2.835 7.340 3.582 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.634 9.320 3.467 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.346 8.952 5.888 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.926 9.620 5.530 1.00 0.00 H new ATOM 876 N SER A 60 -0.349 6.498 2.691 1.00 0.00 N ATOM 877 CA SER A 60 0.481 5.332 2.413 1.00 0.00 C ATOM 878 C SER A 60 0.258 4.832 0.989 1.00 0.00 C ATOM 879 O SER A 60 -0.879 4.724 0.529 1.00 0.00 O ATOM 880 CB SER A 60 0.177 4.214 3.412 1.00 0.00 C ATOM 881 OG SER A 60 -1.190 4.223 3.787 1.00 0.00 O ATOM 0 H SER A 60 -1.082 6.667 2.003 1.00 0.00 H new ATOM 0 HA SER A 60 1.525 5.628 2.515 1.00 0.00 H new ATOM 0 HB2 SER A 60 0.430 3.250 2.972 1.00 0.00 H new ATOM 0 HB3 SER A 60 0.801 4.334 4.298 1.00 0.00 H new ATOM 0 HG SER A 60 -1.675 3.545 3.272 1.00 0.00 H new ATOM 887 N TRP A 61 1.350 4.528 0.298 1.00 0.00 N ATOM 888 CA TRP A 61 1.274 4.040 -1.074 1.00 0.00 C ATOM 889 C TRP A 61 1.131 2.522 -1.104 1.00 0.00 C ATOM 890 O TRP A 61 1.984 1.798 -0.589 1.00 0.00 O ATOM 891 CB TRP A 61 2.518 4.463 -1.857 1.00 0.00 C ATOM 892 CG TRP A 61 2.540 3.944 -3.263 1.00 0.00 C ATOM 893 CD1 TRP A 61 1.535 4.029 -4.184 1.00 0.00 C ATOM 894 CD2 TRP A 61 3.619 3.258 -3.907 1.00 0.00 C ATOM 895 NE1 TRP A 61 1.924 3.438 -5.362 1.00 0.00 N ATOM 896 CE2 TRP A 61 3.199 2.958 -5.218 1.00 0.00 C ATOM 897 CE3 TRP A 61 4.900 2.870 -3.505 1.00 0.00 C ATOM 898 CZ2 TRP A 61 4.015 2.287 -6.125 1.00 0.00 C ATOM 899 CZ3 TRP A 61 5.708 2.204 -4.407 1.00 0.00 C ATOM 900 CH2 TRP A 61 5.264 1.919 -5.705 1.00 0.00 C ATOM 0 H TRP A 61 2.298 4.611 0.665 1.00 0.00 H new ATOM 0 HA TRP A 61 0.393 4.479 -1.542 1.00 0.00 H new ATOM 0 HB2 TRP A 61 2.572 5.551 -1.878 1.00 0.00 H new ATOM 0 HB3 TRP A 61 3.406 4.110 -1.333 1.00 0.00 H new ATOM 0 HD1 TRP A 61 0.575 4.493 -4.012 1.00 0.00 H new ATOM 0 HE1 TRP A 61 1.356 3.368 -6.206 1.00 0.00 H new ATOM 0 HE3 TRP A 61 5.252 3.087 -2.507 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 3.674 2.065 -7.125 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 6.699 1.898 -4.106 1.00 0.00 H new ATOM 0 HH2 TRP A 61 5.920 1.399 -6.387 1.00 0.00 H new ATOM 911 N TYR A 62 0.049 2.046 -1.710 1.00 0.00 N ATOM 912 CA TYR A 62 -0.206 0.614 -1.805 1.00 0.00 C ATOM 913 C TYR A 62 0.167 0.084 -3.187 1.00 0.00 C ATOM 914 O TYR A 62 0.110 0.810 -4.179 1.00 0.00 O ATOM 915 CB TYR A 62 -1.677 0.316 -1.513 1.00 0.00 C ATOM 916 CG TYR A 62 -2.124 0.763 -0.140 1.00 0.00 C ATOM 917 CD1 TYR A 62 -2.419 2.097 0.117 1.00 0.00 C ATOM 918 CD2 TYR A 62 -2.253 -0.148 0.902 1.00 0.00 C ATOM 919 CE1 TYR A 62 -2.827 2.510 1.370 1.00 0.00 C ATOM 920 CE2 TYR A 62 -2.661 0.256 2.158 1.00 0.00 C ATOM 921 CZ TYR A 62 -2.947 1.586 2.387 1.00 0.00 C ATOM 922 OH TYR A 62 -3.354 1.994 3.637 1.00 0.00 O ATOM 0 H TYR A 62 -0.666 2.631 -2.143 1.00 0.00 H new ATOM 0 HA TYR A 62 0.414 0.111 -1.063 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -2.295 0.807 -2.265 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -1.848 -0.756 -1.611 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -2.327 2.823 -0.677 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -2.030 -1.190 0.726 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -3.051 3.551 1.553 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -2.756 -0.465 2.956 1.00 0.00 H new ATOM 0 HH TYR A 62 -3.388 1.221 4.238 1.00 0.00 H new ATOM 932 N VAL A 63 0.549 -1.188 -3.243 1.00 0.00 N ATOM 933 CA VAL A 63 0.930 -1.817 -4.502 1.00 0.00 C ATOM 934 C VAL A 63 0.365 -3.230 -4.603 1.00 0.00 C ATOM 935 O VAL A 63 0.222 -3.925 -3.597 1.00 0.00 O ATOM 936 CB VAL A 63 2.461 -1.875 -4.660 1.00 0.00 C ATOM 937 CG1 VAL A 63 2.837 -2.504 -5.993 1.00 0.00 C ATOM 938 CG2 VAL A 63 3.063 -0.484 -4.528 1.00 0.00 C ATOM 0 H VAL A 63 0.603 -1.803 -2.431 1.00 0.00 H new ATOM 0 HA VAL A 63 0.513 -1.204 -5.301 1.00 0.00 H new ATOM 0 HB VAL A 63 2.868 -2.499 -3.864 1.00 0.00 H new ATOM 0 HG11 VAL A 63 3.922 -2.536 -6.087 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.438 -3.517 -6.043 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.420 -1.910 -6.806 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.145 -0.544 -4.642 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.652 0.165 -5.301 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.824 -0.076 -3.546 1.00 0.00 H new ATOM 948 N ILE A 64 0.048 -3.648 -5.823 1.00 0.00 N ATOM 949 CA ILE A 64 -0.499 -4.979 -6.056 1.00 0.00 C ATOM 950 C ILE A 64 0.613 -6.005 -6.245 1.00 0.00 C ATOM 951 O ILE A 64 1.222 -6.087 -7.313 1.00 0.00 O ATOM 952 CB ILE A 64 -1.419 -5.002 -7.291 1.00 0.00 C ATOM 953 CG1 ILE A 64 -2.590 -4.035 -7.100 1.00 0.00 C ATOM 954 CG2 ILE A 64 -1.926 -6.413 -7.548 1.00 0.00 C ATOM 955 CD1 ILE A 64 -3.106 -3.447 -8.394 1.00 0.00 C ATOM 0 H ILE A 64 0.160 -3.085 -6.666 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.083 -5.239 -5.173 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.845 -4.680 -8.160 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.404 -4.558 -6.598 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.278 -3.225 -6.441 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.575 -6.413 -8.424 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.080 -7.077 -7.723 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.487 -6.762 -6.681 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -3.935 -2.772 -8.182 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -2.306 -2.896 -8.888 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.450 -4.249 -9.047 1.00 0.00 H new ATOM 967 N LEU A 65 0.872 -6.787 -5.203 1.00 0.00 N ATOM 968 CA LEU A 65 1.910 -7.811 -5.255 1.00 0.00 C ATOM 969 C LEU A 65 1.393 -9.077 -5.930 1.00 0.00 C ATOM 970 O LEU A 65 2.129 -9.756 -6.645 1.00 0.00 O ATOM 971 CB LEU A 65 2.404 -8.136 -3.844 1.00 0.00 C ATOM 972 CG LEU A 65 3.105 -7.000 -3.099 1.00 0.00 C ATOM 973 CD1 LEU A 65 3.259 -7.343 -1.625 1.00 0.00 C ATOM 974 CD2 LEU A 65 4.460 -6.708 -3.726 1.00 0.00 C ATOM 0 H LEU A 65 0.378 -6.732 -4.312 1.00 0.00 H new ATOM 0 HA LEU A 65 2.741 -7.422 -5.843 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.551 -8.462 -3.249 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.091 -8.980 -3.907 1.00 0.00 H new ATOM 0 HG LEU A 65 2.490 -6.104 -3.179 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.760 -6.523 -1.111 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.275 -7.501 -1.183 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.852 -8.252 -1.523 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.945 -5.897 -3.183 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.083 -7.601 -3.677 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.324 -6.417 -4.768 1.00 0.00 H new ATOM 986 N ASN A 66 0.122 -9.388 -5.699 1.00 0.00 N ATOM 987 CA ASN A 66 -0.494 -10.572 -6.286 1.00 0.00 C ATOM 988 C ASN A 66 -2.016 -10.488 -6.209 1.00 0.00 C ATOM 989 O ASN A 66 -2.576 -10.118 -5.179 1.00 0.00 O ATOM 990 CB ASN A 66 -0.005 -11.834 -5.573 1.00 0.00 C ATOM 991 CG ASN A 66 -0.346 -13.099 -6.337 1.00 0.00 C ATOM 992 OD1 ASN A 66 0.499 -13.663 -7.032 1.00 0.00 O ATOM 993 ND2 ASN A 66 -1.588 -13.550 -6.211 1.00 0.00 N ATOM 0 H ASN A 66 -0.501 -8.837 -5.109 1.00 0.00 H new ATOM 0 HA ASN A 66 -0.203 -10.620 -7.335 1.00 0.00 H new ATOM 0 HB2 ASN A 66 1.075 -11.775 -5.436 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -0.450 -11.882 -4.579 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -1.875 -14.397 -6.701 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -2.255 -13.050 -5.624 1.00 0.00 H new ATOM 1000 N GLY A 67 -2.679 -10.836 -7.308 1.00 0.00 N ATOM 1001 CA GLY A 67 -4.129 -10.794 -7.345 1.00 0.00 C ATOM 1002 C GLY A 67 -4.654 -9.643 -8.180 1.00 0.00 C ATOM 1003 O GLY A 67 -3.899 -8.996 -8.906 1.00 0.00 O ATOM 0 H GLY A 67 -2.237 -11.146 -8.173 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.507 -11.734 -7.749 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.513 -10.706 -6.329 1.00 0.00 H new ATOM 1007 N THR A 68 -5.955 -9.387 -8.079 1.00 0.00 N ATOM 1008 CA THR A 68 -6.582 -8.309 -8.833 1.00 0.00 C ATOM 1009 C THR A 68 -7.490 -7.470 -7.941 1.00 0.00 C ATOM 1010 O THR A 68 -8.295 -8.005 -7.179 1.00 0.00 O ATOM 1011 CB THR A 68 -7.405 -8.855 -10.016 1.00 0.00 C ATOM 1012 OG1 THR A 68 -6.540 -9.495 -10.960 1.00 0.00 O ATOM 1013 CG2 THR A 68 -8.174 -7.736 -10.702 1.00 0.00 C ATOM 0 H THR A 68 -6.594 -9.912 -7.482 1.00 0.00 H new ATOM 0 HA THR A 68 -5.777 -7.683 -9.218 1.00 0.00 H new ATOM 0 HB THR A 68 -8.120 -9.581 -9.629 1.00 0.00 H new ATOM 0 HG1 THR A 68 -7.071 -9.841 -11.708 1.00 0.00 H new ATOM 0 HG21 THR A 68 -8.747 -8.145 -11.534 1.00 0.00 H new ATOM 0 HG22 THR A 68 -8.853 -7.270 -9.988 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.473 -6.990 -11.077 1.00 0.00 H new ATOM 1021 N VAL A 69 -7.356 -6.151 -8.042 1.00 0.00 N ATOM 1022 CA VAL A 69 -8.166 -5.237 -7.245 1.00 0.00 C ATOM 1023 C VAL A 69 -9.051 -4.371 -8.133 1.00 0.00 C ATOM 1024 O VAL A 69 -8.588 -3.801 -9.121 1.00 0.00 O ATOM 1025 CB VAL A 69 -7.286 -4.325 -6.370 1.00 0.00 C ATOM 1026 CG1 VAL A 69 -6.580 -5.136 -5.294 1.00 0.00 C ATOM 1027 CG2 VAL A 69 -6.280 -3.573 -7.228 1.00 0.00 C ATOM 0 H VAL A 69 -6.694 -5.692 -8.668 1.00 0.00 H new ATOM 0 HA VAL A 69 -8.794 -5.851 -6.600 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.928 -3.594 -5.878 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.963 -4.474 -4.686 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.321 -5.624 -4.661 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -5.949 -5.891 -5.763 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.667 -2.933 -6.593 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.642 -4.286 -7.750 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.810 -2.960 -7.957 1.00 0.00 H new ATOM 1037 N GLU A 70 -10.328 -4.276 -7.774 1.00 0.00 N ATOM 1038 CA GLU A 70 -11.278 -3.478 -8.540 1.00 0.00 C ATOM 1039 C GLU A 70 -11.592 -2.168 -7.823 1.00 0.00 C ATOM 1040 O GLU A 70 -11.915 -2.161 -6.635 1.00 0.00 O ATOM 1041 CB GLU A 70 -12.569 -4.266 -8.772 1.00 0.00 C ATOM 1042 CG GLU A 70 -13.595 -3.521 -9.609 1.00 0.00 C ATOM 1043 CD GLU A 70 -14.912 -4.266 -9.716 1.00 0.00 C ATOM 1044 OE1 GLU A 70 -14.890 -5.462 -10.075 1.00 0.00 O ATOM 1045 OE2 GLU A 70 -15.964 -3.652 -9.441 1.00 0.00 O ATOM 0 H GLU A 70 -10.728 -4.741 -6.959 1.00 0.00 H new ATOM 0 HA GLU A 70 -10.824 -3.245 -9.503 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -12.326 -5.208 -9.264 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -13.011 -4.515 -7.807 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -13.772 -2.539 -9.171 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -13.193 -3.356 -10.609 1.00 0.00 H new ATOM 1052 N ILE A 71 -11.492 -1.062 -8.553 1.00 0.00 N ATOM 1053 CA ILE A 71 -11.766 0.253 -7.987 1.00 0.00 C ATOM 1054 C ILE A 71 -13.057 0.836 -8.549 1.00 0.00 C ATOM 1055 O ILE A 71 -13.310 0.765 -9.752 1.00 0.00 O ATOM 1056 CB ILE A 71 -10.611 1.234 -8.261 1.00 0.00 C ATOM 1057 CG1 ILE A 71 -9.295 0.672 -7.719 1.00 0.00 C ATOM 1058 CG2 ILE A 71 -10.909 2.590 -7.639 1.00 0.00 C ATOM 1059 CD1 ILE A 71 -8.077 1.452 -8.160 1.00 0.00 C ATOM 0 H ILE A 71 -11.223 -1.051 -9.537 1.00 0.00 H new ATOM 0 HA ILE A 71 -11.871 0.118 -6.910 1.00 0.00 H new ATOM 0 HB ILE A 71 -10.513 1.363 -9.339 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -9.335 0.662 -6.630 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -9.190 -0.363 -8.044 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -10.083 3.272 -7.841 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -11.826 2.993 -8.068 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -11.031 2.477 -6.562 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -7.181 0.997 -7.738 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -8.012 1.441 -9.248 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -8.159 2.482 -7.812 1.00 0.00 H new ATOM 1071 N SER A 72 -13.871 1.414 -7.672 1.00 0.00 N ATOM 1072 CA SER A 72 -15.138 2.008 -8.080 1.00 0.00 C ATOM 1073 C SER A 72 -15.158 3.504 -7.782 1.00 0.00 C ATOM 1074 O SER A 72 -14.629 3.953 -6.764 1.00 0.00 O ATOM 1075 CB SER A 72 -16.303 1.319 -7.366 1.00 0.00 C ATOM 1076 OG SER A 72 -17.548 1.791 -7.849 1.00 0.00 O ATOM 0 H SER A 72 -13.675 1.484 -6.673 1.00 0.00 H new ATOM 0 HA SER A 72 -15.246 1.868 -9.155 1.00 0.00 H new ATOM 0 HB2 SER A 72 -16.237 0.241 -7.513 1.00 0.00 H new ATOM 0 HB3 SER A 72 -16.234 1.499 -6.293 1.00 0.00 H new ATOM 0 HG SER A 72 -18.276 1.334 -7.378 1.00 0.00 H new ATOM 1082 N HIS A 73 -15.772 4.272 -8.677 1.00 0.00 N ATOM 1083 CA HIS A 73 -15.861 5.718 -8.510 1.00 0.00 C ATOM 1084 C HIS A 73 -17.298 6.144 -8.224 1.00 0.00 C ATOM 1085 O HIS A 73 -18.258 5.541 -8.705 1.00 0.00 O ATOM 1086 CB HIS A 73 -15.346 6.430 -9.761 1.00 0.00 C ATOM 1087 CG HIS A 73 -13.876 6.256 -9.987 1.00 0.00 C ATOM 1088 ND1 HIS A 73 -12.933 7.150 -9.525 1.00 0.00 N ATOM 1089 CD2 HIS A 73 -13.187 5.283 -10.627 1.00 0.00 C ATOM 1090 CE1 HIS A 73 -11.728 6.735 -9.874 1.00 0.00 C ATOM 1091 NE2 HIS A 73 -11.855 5.603 -10.543 1.00 0.00 N ATOM 0 H HIS A 73 -16.215 3.917 -9.525 1.00 0.00 H new ATOM 0 HA HIS A 73 -15.240 5.999 -7.659 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -15.886 6.055 -10.631 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -15.570 7.494 -9.681 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -13.134 7.999 -8.997 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -13.607 4.415 -11.114 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -10.798 7.236 -9.650 1.00 0.00 H new ATOM 1100 N PRO A 74 -17.452 7.207 -7.421 1.00 0.00 N ATOM 1101 CA PRO A 74 -18.769 7.737 -7.052 1.00 0.00 C ATOM 1102 C PRO A 74 -19.477 8.400 -8.229 1.00 0.00 C ATOM 1103 O PRO A 74 -20.686 8.629 -8.188 1.00 0.00 O ATOM 1104 CB PRO A 74 -18.445 8.771 -5.971 1.00 0.00 C ATOM 1105 CG PRO A 74 -17.043 9.189 -6.255 1.00 0.00 C ATOM 1106 CD PRO A 74 -16.353 7.974 -6.811 1.00 0.00 C ATOM 0 HA PRO A 74 -19.447 6.951 -6.719 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -19.128 9.619 -6.017 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -18.536 8.342 -4.973 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -17.018 10.013 -6.969 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -16.549 9.538 -5.348 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -15.595 8.244 -7.546 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -15.851 7.404 -6.029 1.00 0.00 H new ATOM 1114 N ASP A 75 -18.717 8.705 -9.275 1.00 0.00 N ATOM 1115 CA ASP A 75 -19.273 9.340 -10.464 1.00 0.00 C ATOM 1116 C ASP A 75 -20.000 8.321 -11.335 1.00 0.00 C ATOM 1117 O ASP A 75 -21.108 8.571 -11.808 1.00 0.00 O ATOM 1118 CB ASP A 75 -18.165 10.021 -11.269 1.00 0.00 C ATOM 1119 CG ASP A 75 -16.876 9.223 -11.270 1.00 0.00 C ATOM 1120 OD1 ASP A 75 -16.791 8.234 -12.027 1.00 0.00 O ATOM 1121 OD2 ASP A 75 -15.952 9.587 -10.512 1.00 0.00 O ATOM 0 H ASP A 75 -17.715 8.523 -9.324 1.00 0.00 H new ATOM 0 HA ASP A 75 -19.992 10.093 -10.142 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -18.501 10.164 -12.296 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -17.975 11.011 -10.855 1.00 0.00 H new ATOM 1126 N GLY A 76 -19.367 7.170 -11.545 1.00 0.00 N ATOM 1127 CA GLY A 76 -19.968 6.131 -12.360 1.00 0.00 C ATOM 1128 C GLY A 76 -18.947 5.394 -13.205 1.00 0.00 C ATOM 1129 O GLY A 76 -19.229 5.014 -14.341 1.00 0.00 O ATOM 0 H GLY A 76 -18.449 6.939 -11.165 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -20.483 5.419 -11.715 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -20.722 6.574 -13.011 1.00 0.00 H new ATOM 1133 N LYS A 77 -17.757 5.193 -12.650 1.00 0.00 N ATOM 1134 CA LYS A 77 -16.689 4.498 -13.359 1.00 0.00 C ATOM 1135 C LYS A 77 -16.049 3.435 -12.472 1.00 0.00 C ATOM 1136 O LYS A 77 -16.007 3.575 -11.249 1.00 0.00 O ATOM 1137 CB LYS A 77 -15.626 5.494 -13.827 1.00 0.00 C ATOM 1138 CG LYS A 77 -14.899 5.060 -15.088 1.00 0.00 C ATOM 1139 CD LYS A 77 -13.675 5.921 -15.349 1.00 0.00 C ATOM 1140 CE LYS A 77 -12.626 5.169 -16.154 1.00 0.00 C ATOM 1141 NZ LYS A 77 -11.580 6.082 -16.693 1.00 0.00 N ATOM 0 H LYS A 77 -17.507 5.502 -11.710 1.00 0.00 H new ATOM 0 HA LYS A 77 -17.125 4.006 -14.229 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -16.098 6.460 -14.004 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -14.898 5.637 -13.029 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -14.598 4.017 -14.995 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -15.577 5.121 -15.939 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -13.971 6.822 -15.886 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -13.246 6.242 -14.400 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -12.158 4.413 -15.524 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -13.109 4.643 -16.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -10.884 5.531 -17.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -12.023 6.788 -17.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -11.102 6.565 -15.906 1.00 0.00 H new ATOM 1155 N VAL A 78 -15.551 2.372 -13.095 1.00 0.00 N ATOM 1156 CA VAL A 78 -14.910 1.286 -12.362 1.00 0.00 C ATOM 1157 C VAL A 78 -13.571 0.914 -12.989 1.00 0.00 C ATOM 1158 O VAL A 78 -13.519 0.408 -14.109 1.00 0.00 O ATOM 1159 CB VAL A 78 -15.808 0.035 -12.314 1.00 0.00 C ATOM 1160 CG1 VAL A 78 -15.185 -1.035 -11.430 1.00 0.00 C ATOM 1161 CG2 VAL A 78 -17.202 0.398 -11.826 1.00 0.00 C ATOM 0 H VAL A 78 -15.579 2.239 -14.106 1.00 0.00 H new ATOM 0 HA VAL A 78 -14.744 1.644 -11.346 1.00 0.00 H new ATOM 0 HB VAL A 78 -15.896 -0.368 -13.323 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -15.833 -1.911 -11.408 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -14.210 -1.315 -11.829 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -15.065 -0.647 -10.419 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -17.823 -0.498 -11.798 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -17.137 0.826 -10.825 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -17.647 1.127 -12.504 1.00 0.00 H new ATOM 1171 N GLU A 79 -12.491 1.169 -12.258 1.00 0.00 N ATOM 1172 CA GLU A 79 -11.151 0.861 -12.744 1.00 0.00 C ATOM 1173 C GLU A 79 -10.761 -0.572 -12.393 1.00 0.00 C ATOM 1174 O GLU A 79 -11.131 -1.087 -11.339 1.00 0.00 O ATOM 1175 CB GLU A 79 -10.132 1.837 -12.151 1.00 0.00 C ATOM 1176 CG GLU A 79 -9.921 3.083 -12.995 1.00 0.00 C ATOM 1177 CD GLU A 79 -9.301 4.222 -12.209 1.00 0.00 C ATOM 1178 OE1 GLU A 79 -8.465 3.944 -11.323 1.00 0.00 O ATOM 1179 OE2 GLU A 79 -9.650 5.389 -12.479 1.00 0.00 O ATOM 0 H GLU A 79 -12.517 1.588 -11.328 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.154 0.964 -13.829 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.462 2.134 -11.156 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -9.178 1.324 -12.030 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -9.279 2.839 -13.842 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -10.878 3.407 -13.403 1.00 0.00 H new ATOM 1186 N ASN A 80 -10.012 -1.211 -13.286 1.00 0.00 N ATOM 1187 CA ASN A 80 -9.573 -2.585 -13.073 1.00 0.00 C ATOM 1188 C ASN A 80 -8.053 -2.689 -13.151 1.00 0.00 C ATOM 1189 O ASN A 80 -7.468 -2.595 -14.231 1.00 0.00 O ATOM 1190 CB ASN A 80 -10.212 -3.513 -14.108 1.00 0.00 C ATOM 1191 CG ASN A 80 -11.626 -3.095 -14.464 1.00 0.00 C ATOM 1192 OD1 ASN A 80 -12.372 -2.604 -13.618 1.00 0.00 O ATOM 1193 ND2 ASN A 80 -12.000 -3.289 -15.724 1.00 0.00 N ATOM 0 H ASN A 80 -9.696 -0.799 -14.164 1.00 0.00 H new ATOM 0 HA ASN A 80 -9.890 -2.890 -12.076 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -9.601 -3.522 -15.010 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -10.224 -4.532 -13.721 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -12.939 -3.027 -16.023 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -11.348 -3.700 -16.392 1.00 0.00 H new ATOM 1200 N LEU A 81 -7.419 -2.883 -12.000 1.00 0.00 N ATOM 1201 CA LEU A 81 -5.966 -3.001 -11.937 1.00 0.00 C ATOM 1202 C LEU A 81 -5.542 -4.462 -11.825 1.00 0.00 C ATOM 1203 O LEU A 81 -6.264 -5.288 -11.266 1.00 0.00 O ATOM 1204 CB LEU A 81 -5.422 -2.208 -10.747 1.00 0.00 C ATOM 1205 CG LEU A 81 -5.700 -0.704 -10.759 1.00 0.00 C ATOM 1206 CD1 LEU A 81 -5.432 -0.101 -9.389 1.00 0.00 C ATOM 1207 CD2 LEU A 81 -4.857 -0.014 -11.821 1.00 0.00 C ATOM 0 H LEU A 81 -7.888 -2.962 -11.098 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.553 -2.592 -12.859 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -5.843 -2.628 -9.833 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.343 -2.357 -10.699 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.751 -0.550 -11.002 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.635 0.970 -9.417 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.079 -0.574 -8.650 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.389 -0.266 -9.117 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.068 1.055 -11.815 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.800 -0.177 -11.609 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.098 -0.426 -12.801 1.00 0.00 H new ATOM 1219 N PHE A 82 -4.366 -4.773 -12.360 1.00 0.00 N ATOM 1220 CA PHE A 82 -3.845 -6.135 -12.319 1.00 0.00 C ATOM 1221 C PHE A 82 -2.460 -6.168 -11.679 1.00 0.00 C ATOM 1222 O PHE A 82 -1.843 -5.127 -11.455 1.00 0.00 O ATOM 1223 CB PHE A 82 -3.781 -6.721 -13.731 1.00 0.00 C ATOM 1224 CG PHE A 82 -5.052 -6.546 -14.511 1.00 0.00 C ATOM 1225 CD1 PHE A 82 -6.201 -7.233 -14.153 1.00 0.00 C ATOM 1226 CD2 PHE A 82 -5.099 -5.693 -15.603 1.00 0.00 C ATOM 1227 CE1 PHE A 82 -7.372 -7.074 -14.870 1.00 0.00 C ATOM 1228 CE2 PHE A 82 -6.267 -5.530 -16.323 1.00 0.00 C ATOM 1229 CZ PHE A 82 -7.406 -6.220 -15.955 1.00 0.00 C ATOM 0 H PHE A 82 -3.756 -4.102 -12.827 1.00 0.00 H new ATOM 0 HA PHE A 82 -4.521 -6.738 -11.713 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -2.963 -6.249 -14.275 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -3.548 -7.784 -13.664 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -6.181 -7.900 -13.304 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.212 -5.150 -15.894 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -8.260 -7.617 -14.582 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -6.290 -4.864 -17.173 1.00 0.00 H new ATOM 0 HZ PHE A 82 -8.321 -6.092 -16.514 1.00 0.00 H new ATOM 1239 N MET A 83 -1.978 -7.372 -11.388 1.00 0.00 N ATOM 1240 CA MET A 83 -0.666 -7.542 -10.774 1.00 0.00 C ATOM 1241 C MET A 83 0.373 -6.661 -11.460 1.00 0.00 C ATOM 1242 O MET A 83 0.677 -6.845 -12.638 1.00 0.00 O ATOM 1243 CB MET A 83 -0.234 -9.008 -10.842 1.00 0.00 C ATOM 1244 CG MET A 83 1.196 -9.241 -10.381 1.00 0.00 C ATOM 1245 SD MET A 83 1.588 -10.991 -10.196 1.00 0.00 S ATOM 1246 CE MET A 83 3.287 -10.900 -9.635 1.00 0.00 C ATOM 0 H MET A 83 -2.476 -8.244 -11.567 1.00 0.00 H new ATOM 0 HA MET A 83 -0.739 -7.240 -9.729 1.00 0.00 H new ATOM 0 HB2 MET A 83 -0.907 -9.606 -10.228 1.00 0.00 H new ATOM 0 HB3 MET A 83 -0.339 -9.362 -11.867 1.00 0.00 H new ATOM 0 HG2 MET A 83 1.883 -8.792 -11.099 1.00 0.00 H new ATOM 0 HG3 MET A 83 1.354 -8.734 -9.429 1.00 0.00 H new ATOM 0 HE1 MET A 83 3.593 -11.869 -9.241 1.00 0.00 H new ATOM 0 HE2 MET A 83 3.932 -10.628 -10.471 1.00 0.00 H new ATOM 0 HE3 MET A 83 3.372 -10.147 -8.851 1.00 0.00 H new ATOM 1256 N GLY A 84 0.914 -5.701 -10.715 1.00 0.00 N ATOM 1257 CA GLY A 84 1.912 -4.806 -11.269 1.00 0.00 C ATOM 1258 C GLY A 84 1.553 -3.346 -11.077 1.00 0.00 C ATOM 1259 O GLY A 84 2.430 -2.502 -10.899 1.00 0.00 O ATOM 0 H GLY A 84 0.678 -5.528 -9.738 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.875 -5.005 -10.799 1.00 0.00 H new ATOM 0 HA3 GLY A 84 2.029 -5.011 -12.333 1.00 0.00 H new ATOM 1263 N ASN A 85 0.258 -3.047 -11.114 1.00 0.00 N ATOM 1264 CA ASN A 85 -0.216 -1.678 -10.945 1.00 0.00 C ATOM 1265 C ASN A 85 -0.048 -1.220 -9.500 1.00 0.00 C ATOM 1266 O ASN A 85 0.072 -2.038 -8.588 1.00 0.00 O ATOM 1267 CB ASN A 85 -1.685 -1.570 -11.359 1.00 0.00 C ATOM 1268 CG ASN A 85 -1.863 -1.585 -12.865 1.00 0.00 C ATOM 1269 OD1 ASN A 85 -2.434 -2.522 -13.424 1.00 0.00 O ATOM 1270 ND2 ASN A 85 -1.374 -0.545 -13.530 1.00 0.00 N ATOM 0 H ASN A 85 -0.481 -3.734 -11.259 1.00 0.00 H new ATOM 0 HA ASN A 85 0.383 -1.030 -11.585 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -2.245 -2.396 -10.921 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -2.107 -0.650 -10.955 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -1.464 -0.501 -14.545 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -0.908 0.209 -13.026 1.00 0.00 H new ATOM 1277 N SER A 86 -0.042 0.094 -9.299 1.00 0.00 N ATOM 1278 CA SER A 86 0.114 0.662 -7.965 1.00 0.00 C ATOM 1279 C SER A 86 -0.945 1.728 -7.701 1.00 0.00 C ATOM 1280 O SER A 86 -1.452 2.359 -8.629 1.00 0.00 O ATOM 1281 CB SER A 86 1.511 1.265 -7.804 1.00 0.00 C ATOM 1282 OG SER A 86 1.648 2.448 -8.571 1.00 0.00 O ATOM 0 H SER A 86 -0.143 0.785 -10.043 1.00 0.00 H new ATOM 0 HA SER A 86 -0.014 -0.141 -7.239 1.00 0.00 H new ATOM 0 HB2 SER A 86 1.696 1.486 -6.753 1.00 0.00 H new ATOM 0 HB3 SER A 86 2.262 0.538 -8.114 1.00 0.00 H new ATOM 0 HG SER A 86 2.117 3.128 -8.043 1.00 0.00 H new ATOM 1288 N PHE A 87 -1.275 1.924 -6.429 1.00 0.00 N ATOM 1289 CA PHE A 87 -2.274 2.912 -6.042 1.00 0.00 C ATOM 1290 C PHE A 87 -2.066 3.360 -4.598 1.00 0.00 C ATOM 1291 O PHE A 87 -1.472 2.643 -3.794 1.00 0.00 O ATOM 1292 CB PHE A 87 -3.683 2.338 -6.211 1.00 0.00 C ATOM 1293 CG PHE A 87 -3.955 1.149 -5.334 1.00 0.00 C ATOM 1294 CD1 PHE A 87 -4.450 1.317 -4.051 1.00 0.00 C ATOM 1295 CD2 PHE A 87 -3.716 -0.136 -5.793 1.00 0.00 C ATOM 1296 CE1 PHE A 87 -4.700 0.225 -3.242 1.00 0.00 C ATOM 1297 CE2 PHE A 87 -3.964 -1.232 -4.989 1.00 0.00 C ATOM 1298 CZ PHE A 87 -4.458 -1.051 -3.712 1.00 0.00 C ATOM 0 H PHE A 87 -0.865 1.411 -5.649 1.00 0.00 H new ATOM 0 HA PHE A 87 -2.161 3.779 -6.693 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.413 3.117 -5.990 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -3.828 2.052 -7.253 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -4.643 2.312 -3.679 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -3.331 -0.283 -6.791 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -5.084 0.369 -2.243 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -3.772 -2.228 -5.358 1.00 0.00 H new ATOM 0 HZ PHE A 87 -4.655 -1.906 -3.082 1.00 0.00 H new ATOM 1308 N GLY A 88 -2.558 4.553 -4.277 1.00 0.00 N ATOM 1309 CA GLY A 88 -2.415 5.077 -2.931 1.00 0.00 C ATOM 1310 C GLY A 88 -2.080 6.555 -2.917 1.00 0.00 C ATOM 1311 O GLY A 88 -2.969 7.399 -2.804 1.00 0.00 O ATOM 0 H GLY A 88 -3.053 5.166 -4.925 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -3.341 4.912 -2.380 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -1.632 4.525 -2.411 1.00 0.00 H new ATOM 1315 N ILE A 89 -0.794 6.870 -3.031 1.00 0.00 N ATOM 1316 CA ILE A 89 -0.344 8.256 -3.030 1.00 0.00 C ATOM 1317 C ILE A 89 0.819 8.457 -3.996 1.00 0.00 C ATOM 1318 O ILE A 89 1.218 7.534 -4.706 1.00 0.00 O ATOM 1319 CB ILE A 89 0.089 8.707 -1.622 1.00 0.00 C ATOM 1320 CG1 ILE A 89 1.353 7.961 -1.191 1.00 0.00 C ATOM 1321 CG2 ILE A 89 -1.035 8.477 -0.624 1.00 0.00 C ATOM 1322 CD1 ILE A 89 2.201 8.730 -0.202 1.00 0.00 C ATOM 0 H ILE A 89 -0.045 6.184 -3.125 1.00 0.00 H new ATOM 0 HA ILE A 89 -1.190 8.863 -3.352 1.00 0.00 H new ATOM 0 HB ILE A 89 0.311 9.774 -1.650 1.00 0.00 H new ATOM 0 HG12 ILE A 89 1.069 7.006 -0.748 1.00 0.00 H new ATOM 0 HG13 ILE A 89 1.952 7.737 -2.074 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -0.714 8.800 0.366 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -1.912 9.049 -0.926 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -1.285 7.416 -0.596 1.00 0.00 H new ATOM 0 HD11 ILE A 89 3.080 8.141 0.059 1.00 0.00 H new ATOM 0 HD12 ILE A 89 2.516 9.673 -0.649 1.00 0.00 H new ATOM 0 HD13 ILE A 89 1.619 8.931 0.697 1.00 0.00 H new ATOM 1334 N THR A 90 1.361 9.671 -4.016 1.00 0.00 N ATOM 1335 CA THR A 90 2.478 9.994 -4.894 1.00 0.00 C ATOM 1336 C THR A 90 3.775 10.133 -4.105 1.00 0.00 C ATOM 1337 O THR A 90 3.772 10.333 -2.890 1.00 0.00 O ATOM 1338 CB THR A 90 2.222 11.298 -5.673 1.00 0.00 C ATOM 1339 OG1 THR A 90 1.392 12.174 -4.902 1.00 0.00 O ATOM 1340 CG2 THR A 90 1.559 11.009 -7.011 1.00 0.00 C ATOM 0 H THR A 90 1.044 10.446 -3.434 1.00 0.00 H new ATOM 0 HA THR A 90 2.572 9.170 -5.601 1.00 0.00 H new ATOM 0 HB THR A 90 3.183 11.778 -5.859 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.235 13.001 -5.403 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.388 11.945 -7.542 1.00 0.00 H new ATOM 0 HG22 THR A 90 2.207 10.366 -7.607 1.00 0.00 H new ATOM 0 HG23 THR A 90 0.606 10.508 -6.844 1.00 0.00 H new ATOM 1348 N PRO A 91 4.912 10.026 -4.809 1.00 0.00 N ATOM 1349 CA PRO A 91 6.238 10.138 -4.194 1.00 0.00 C ATOM 1350 C PRO A 91 6.543 11.558 -3.730 1.00 0.00 C ATOM 1351 O PRO A 91 7.623 11.832 -3.205 1.00 0.00 O ATOM 1352 CB PRO A 91 7.188 9.727 -5.322 1.00 0.00 C ATOM 1353 CG PRO A 91 6.441 10.029 -6.575 1.00 0.00 C ATOM 1354 CD PRO A 91 4.990 9.788 -6.260 1.00 0.00 C ATOM 0 HA PRO A 91 6.326 9.522 -3.299 1.00 0.00 H new ATOM 0 HB2 PRO A 91 8.123 10.284 -5.275 1.00 0.00 H new ATOM 0 HB3 PRO A 91 7.444 8.669 -5.259 1.00 0.00 H new ATOM 0 HG2 PRO A 91 6.606 11.060 -6.889 1.00 0.00 H new ATOM 0 HG3 PRO A 91 6.775 9.389 -7.392 1.00 0.00 H new ATOM 0 HD2 PRO A 91 4.341 10.466 -6.814 1.00 0.00 H new ATOM 0 HD3 PRO A 91 4.686 8.774 -6.518 1.00 0.00 H new ATOM 1362 N THR A 92 5.586 12.459 -3.926 1.00 0.00 N ATOM 1363 CA THR A 92 5.753 13.851 -3.529 1.00 0.00 C ATOM 1364 C THR A 92 5.109 14.117 -2.173 1.00 0.00 C ATOM 1365 O THR A 92 3.956 13.751 -1.940 1.00 0.00 O ATOM 1366 CB THR A 92 5.146 14.810 -4.570 1.00 0.00 C ATOM 1367 OG1 THR A 92 3.731 14.605 -4.658 1.00 0.00 O ATOM 1368 CG2 THR A 92 5.780 14.597 -5.937 1.00 0.00 C ATOM 0 H THR A 92 4.686 12.249 -4.358 1.00 0.00 H new ATOM 0 HA THR A 92 6.826 14.033 -3.461 1.00 0.00 H new ATOM 0 HB THR A 92 5.346 15.833 -4.250 1.00 0.00 H new ATOM 0 HG1 THR A 92 3.416 14.149 -3.850 1.00 0.00 H new ATOM 0 HG21 THR A 92 5.335 15.285 -6.656 1.00 0.00 H new ATOM 0 HG22 THR A 92 6.852 14.782 -5.873 1.00 0.00 H new ATOM 0 HG23 THR A 92 5.607 13.571 -6.262 1.00 0.00 H new ATOM 1376 N LEU A 93 5.859 14.756 -1.282 1.00 0.00 N ATOM 1377 CA LEU A 93 5.359 15.073 0.051 1.00 0.00 C ATOM 1378 C LEU A 93 3.890 15.480 0.001 1.00 0.00 C ATOM 1379 O LEU A 93 3.153 15.302 0.970 1.00 0.00 O ATOM 1380 CB LEU A 93 6.190 16.195 0.676 1.00 0.00 C ATOM 1381 CG LEU A 93 7.615 15.824 1.091 1.00 0.00 C ATOM 1382 CD1 LEU A 93 8.355 17.048 1.608 1.00 0.00 C ATOM 1383 CD2 LEU A 93 7.595 14.726 2.144 1.00 0.00 C ATOM 0 H LEU A 93 6.815 15.065 -1.458 1.00 0.00 H new ATOM 0 HA LEU A 93 5.447 14.178 0.666 1.00 0.00 H new ATOM 0 HB2 LEU A 93 6.243 17.020 -0.035 1.00 0.00 H new ATOM 0 HB3 LEU A 93 5.662 16.565 1.555 1.00 0.00 H new ATOM 0 HG LEU A 93 8.143 15.449 0.214 1.00 0.00 H new ATOM 0 HD11 LEU A 93 9.367 16.766 1.899 1.00 0.00 H new ATOM 0 HD12 LEU A 93 8.400 17.804 0.824 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.829 17.453 2.472 1.00 0.00 H new ATOM 0 HD21 LEU A 93 8.617 14.475 2.427 1.00 0.00 H new ATOM 0 HD22 LEU A 93 7.050 15.074 3.022 1.00 0.00 H new ATOM 0 HD23 LEU A 93 7.103 13.842 1.738 1.00 0.00 H new ATOM 1395 N ASP A 94 3.472 16.025 -1.136 1.00 0.00 N ATOM 1396 CA ASP A 94 2.090 16.454 -1.315 1.00 0.00 C ATOM 1397 C ASP A 94 1.120 15.358 -0.886 1.00 0.00 C ATOM 1398 O ASP A 94 1.424 14.169 -0.989 1.00 0.00 O ATOM 1399 CB ASP A 94 1.836 16.834 -2.775 1.00 0.00 C ATOM 1400 CG ASP A 94 2.128 18.295 -3.052 1.00 0.00 C ATOM 1401 OD1 ASP A 94 3.168 18.794 -2.572 1.00 0.00 O ATOM 1402 OD2 ASP A 94 1.317 18.941 -3.749 1.00 0.00 O ATOM 0 H ASP A 94 4.070 16.180 -1.947 1.00 0.00 H new ATOM 0 HA ASP A 94 1.923 17.328 -0.686 1.00 0.00 H new ATOM 0 HB2 ASP A 94 2.456 16.214 -3.422 1.00 0.00 H new ATOM 0 HB3 ASP A 94 0.798 16.620 -3.028 1.00 0.00 H new ATOM 1407 N LYS A 95 -0.049 15.765 -0.402 1.00 0.00 N ATOM 1408 CA LYS A 95 -1.064 14.818 0.043 1.00 0.00 C ATOM 1409 C LYS A 95 -2.100 14.576 -1.050 1.00 0.00 C ATOM 1410 O LYS A 95 -2.079 15.231 -2.092 1.00 0.00 O ATOM 1411 CB LYS A 95 -1.754 15.336 1.308 1.00 0.00 C ATOM 1412 CG LYS A 95 -0.822 15.462 2.501 1.00 0.00 C ATOM 1413 CD LYS A 95 -0.171 16.834 2.557 1.00 0.00 C ATOM 1414 CE LYS A 95 -1.012 17.817 3.356 1.00 0.00 C ATOM 1415 NZ LYS A 95 -0.737 17.724 4.817 1.00 0.00 N ATOM 0 H LYS A 95 -0.317 16.745 -0.308 1.00 0.00 H new ATOM 0 HA LYS A 95 -0.570 13.873 0.266 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -2.195 16.310 1.098 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -2.573 14.664 1.566 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -1.380 15.285 3.420 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -0.050 14.694 2.444 1.00 0.00 H new ATOM 0 HD2 LYS A 95 0.818 16.750 3.007 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -0.030 17.213 1.545 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -0.809 18.831 3.012 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -2.069 17.624 3.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -1.330 18.410 5.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -0.955 16.763 5.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 0.266 17.934 4.996 1.00 0.00 H new ATOM 1429 N GLN A 96 -3.004 13.634 -0.804 1.00 0.00 N ATOM 1430 CA GLN A 96 -4.048 13.308 -1.769 1.00 0.00 C ATOM 1431 C GLN A 96 -5.215 12.600 -1.089 1.00 0.00 C ATOM 1432 O GLN A 96 -5.043 11.944 -0.061 1.00 0.00 O ATOM 1433 CB GLN A 96 -3.483 12.428 -2.886 1.00 0.00 C ATOM 1434 CG GLN A 96 -2.607 11.293 -2.381 1.00 0.00 C ATOM 1435 CD GLN A 96 -1.302 11.783 -1.786 1.00 0.00 C ATOM 1436 OE1 GLN A 96 -1.148 11.847 -0.566 1.00 0.00 O ATOM 1437 NE2 GLN A 96 -0.353 12.133 -2.646 1.00 0.00 N ATOM 0 H GLN A 96 -3.035 13.083 0.054 1.00 0.00 H new ATOM 0 HA GLN A 96 -4.413 14.240 -2.200 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -4.309 12.010 -3.461 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -2.902 13.049 -3.568 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -3.154 10.724 -1.629 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -2.393 10.611 -3.204 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -0.523 12.064 -3.649 1.00 0.00 H new ATOM 0 HE22 GLN A 96 0.546 12.471 -2.303 1.00 0.00 H new ATOM 1446 N TYR A 97 -6.403 12.737 -1.669 1.00 0.00 N ATOM 1447 CA TYR A 97 -7.599 12.113 -1.117 1.00 0.00 C ATOM 1448 C TYR A 97 -8.168 11.078 -2.083 1.00 0.00 C ATOM 1449 O TYR A 97 -8.296 11.333 -3.280 1.00 0.00 O ATOM 1450 CB TYR A 97 -8.657 13.174 -0.808 1.00 0.00 C ATOM 1451 CG TYR A 97 -8.116 14.366 -0.053 1.00 0.00 C ATOM 1452 CD1 TYR A 97 -7.218 14.201 0.994 1.00 0.00 C ATOM 1453 CD2 TYR A 97 -8.502 15.658 -0.387 1.00 0.00 C ATOM 1454 CE1 TYR A 97 -6.721 15.288 1.687 1.00 0.00 C ATOM 1455 CE2 TYR A 97 -8.010 16.751 0.300 1.00 0.00 C ATOM 1456 CZ TYR A 97 -7.120 16.561 1.336 1.00 0.00 C ATOM 1457 OH TYR A 97 -6.627 17.646 2.024 1.00 0.00 O ATOM 0 H TYR A 97 -6.563 13.275 -2.521 1.00 0.00 H new ATOM 0 HA TYR A 97 -7.321 11.607 -0.193 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -9.099 13.517 -1.743 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -9.457 12.718 -0.225 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -6.903 13.206 1.271 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -9.199 15.811 -1.198 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -6.024 15.142 2.499 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -8.321 17.749 0.027 1.00 0.00 H new ATOM 0 HH TYR A 97 -7.006 18.469 1.652 1.00 0.00 H new ATOM 1467 N MET A 98 -8.508 9.907 -1.553 1.00 0.00 N ATOM 1468 CA MET A 98 -9.066 8.833 -2.366 1.00 0.00 C ATOM 1469 C MET A 98 -10.268 9.325 -3.166 1.00 0.00 C ATOM 1470 O MET A 98 -11.014 10.194 -2.714 1.00 0.00 O ATOM 1471 CB MET A 98 -9.474 7.654 -1.482 1.00 0.00 C ATOM 1472 CG MET A 98 -9.797 6.391 -2.264 1.00 0.00 C ATOM 1473 SD MET A 98 -8.320 5.552 -2.869 1.00 0.00 S ATOM 1474 CE MET A 98 -8.969 4.731 -4.323 1.00 0.00 C ATOM 0 H MET A 98 -8.407 9.678 -0.564 1.00 0.00 H new ATOM 0 HA MET A 98 -8.297 8.504 -3.065 1.00 0.00 H new ATOM 0 HB2 MET A 98 -8.668 7.441 -0.780 1.00 0.00 H new ATOM 0 HB3 MET A 98 -10.345 7.938 -0.891 1.00 0.00 H new ATOM 0 HG2 MET A 98 -10.363 5.710 -1.629 1.00 0.00 H new ATOM 0 HG3 MET A 98 -10.438 6.645 -3.109 1.00 0.00 H new ATOM 0 HE1 MET A 98 -8.273 3.956 -4.645 1.00 0.00 H new ATOM 0 HE2 MET A 98 -9.932 4.278 -4.086 1.00 0.00 H new ATOM 0 HE3 MET A 98 -9.098 5.458 -5.124 1.00 0.00 H new ATOM 1484 N HIS A 99 -10.450 8.763 -4.357 1.00 0.00 N ATOM 1485 CA HIS A 99 -11.563 9.145 -5.220 1.00 0.00 C ATOM 1486 C HIS A 99 -12.372 7.920 -5.636 1.00 0.00 C ATOM 1487 O HIS A 99 -12.755 7.782 -6.797 1.00 0.00 O ATOM 1488 CB HIS A 99 -11.047 9.875 -6.460 1.00 0.00 C ATOM 1489 CG HIS A 99 -9.671 9.455 -6.874 1.00 0.00 C ATOM 1490 ND1 HIS A 99 -9.309 8.136 -7.054 1.00 0.00 N ATOM 1491 CD2 HIS A 99 -8.565 10.187 -7.145 1.00 0.00 C ATOM 1492 CE1 HIS A 99 -8.040 8.076 -7.416 1.00 0.00 C ATOM 1493 NE2 HIS A 99 -7.565 9.307 -7.479 1.00 0.00 N ATOM 0 H HIS A 99 -9.842 8.042 -4.746 1.00 0.00 H new ATOM 0 HA HIS A 99 -12.214 9.815 -4.658 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -11.735 9.700 -7.287 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -11.047 10.948 -6.266 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -8.484 11.263 -7.106 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -7.485 7.173 -7.625 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -6.611 9.562 -7.734 1.00 0.00 H new ATOM 1502 N GLY A 100 -12.630 7.033 -4.679 1.00 0.00 N ATOM 1503 CA GLY A 100 -13.391 5.832 -4.967 1.00 0.00 C ATOM 1504 C GLY A 100 -13.159 4.739 -3.942 1.00 0.00 C ATOM 1505 O GLY A 100 -12.313 4.878 -3.058 1.00 0.00 O ATOM 0 H GLY A 100 -12.325 7.125 -3.710 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -14.453 6.077 -4.998 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -13.120 5.462 -5.956 1.00 0.00 H new ATOM 1509 N ILE A 101 -13.911 3.650 -4.060 1.00 0.00 N ATOM 1510 CA ILE A 101 -13.783 2.531 -3.136 1.00 0.00 C ATOM 1511 C ILE A 101 -13.029 1.371 -3.778 1.00 0.00 C ATOM 1512 O ILE A 101 -13.401 0.892 -4.849 1.00 0.00 O ATOM 1513 CB ILE A 101 -15.161 2.032 -2.661 1.00 0.00 C ATOM 1514 CG1 ILE A 101 -15.835 3.087 -1.782 1.00 0.00 C ATOM 1515 CG2 ILE A 101 -15.018 0.718 -1.906 1.00 0.00 C ATOM 1516 CD1 ILE A 101 -17.335 2.920 -1.680 1.00 0.00 C ATOM 0 H ILE A 101 -14.615 3.519 -4.786 1.00 0.00 H new ATOM 0 HA ILE A 101 -13.221 2.895 -2.276 1.00 0.00 H new ATOM 0 HB ILE A 101 -15.789 1.860 -3.535 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -15.404 3.044 -0.782 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -15.614 4.077 -2.182 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -16.000 0.379 -1.577 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -14.576 -0.032 -2.562 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -14.375 0.865 -1.038 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -17.746 3.702 -1.042 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -17.778 2.993 -2.673 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -17.564 1.944 -1.251 1.00 0.00 H new ATOM 1528 N VAL A 102 -11.967 0.924 -3.115 1.00 0.00 N ATOM 1529 CA VAL A 102 -11.161 -0.182 -3.619 1.00 0.00 C ATOM 1530 C VAL A 102 -11.587 -1.504 -2.991 1.00 0.00 C ATOM 1531 O VAL A 102 -11.777 -1.594 -1.778 1.00 0.00 O ATOM 1532 CB VAL A 102 -9.663 0.045 -3.345 1.00 0.00 C ATOM 1533 CG1 VAL A 102 -8.822 -0.985 -4.084 1.00 0.00 C ATOM 1534 CG2 VAL A 102 -9.257 1.457 -3.739 1.00 0.00 C ATOM 0 H VAL A 102 -11.645 1.311 -2.228 1.00 0.00 H new ATOM 0 HA VAL A 102 -11.323 -0.226 -4.696 1.00 0.00 H new ATOM 0 HB VAL A 102 -9.486 -0.075 -2.276 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -7.766 -0.808 -3.878 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -9.095 -1.986 -3.749 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -9.002 -0.900 -5.156 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -8.195 1.600 -3.538 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -9.449 1.608 -4.801 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -9.835 2.177 -3.160 1.00 0.00 H new ATOM 1544 N ARG A 103 -11.736 -2.528 -3.825 1.00 0.00 N ATOM 1545 CA ARG A 103 -12.141 -3.846 -3.351 1.00 0.00 C ATOM 1546 C ARG A 103 -11.478 -4.947 -4.174 1.00 0.00 C ATOM 1547 O ARG A 103 -11.500 -4.916 -5.405 1.00 0.00 O ATOM 1548 CB ARG A 103 -13.662 -3.991 -3.418 1.00 0.00 C ATOM 1549 CG ARG A 103 -14.397 -3.201 -2.348 1.00 0.00 C ATOM 1550 CD ARG A 103 -15.758 -3.808 -2.043 1.00 0.00 C ATOM 1551 NE ARG A 103 -16.716 -2.803 -1.591 1.00 0.00 N ATOM 1552 CZ ARG A 103 -17.978 -3.078 -1.280 1.00 0.00 C ATOM 1553 NH1 ARG A 103 -18.431 -4.321 -1.372 1.00 0.00 N ATOM 1554 NH2 ARG A 103 -18.790 -2.110 -0.877 1.00 0.00 N ATOM 0 H ARG A 103 -11.582 -2.470 -4.832 1.00 0.00 H new ATOM 0 HA ARG A 103 -11.819 -3.946 -2.315 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -14.007 -3.665 -4.399 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -13.923 -5.045 -3.323 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -13.797 -3.174 -1.438 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -14.523 -2.170 -2.678 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -16.143 -4.301 -2.936 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -15.649 -4.576 -1.277 1.00 0.00 H new ATOM 0 HE ARG A 103 -16.399 -1.837 -1.510 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -17.810 -5.068 -1.682 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -19.400 -4.530 -1.133 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -18.446 -1.152 -0.805 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -19.759 -2.323 -0.639 1.00 0.00 H new ATOM 1568 N THR A 104 -10.887 -5.919 -3.486 1.00 0.00 N ATOM 1569 CA THR A 104 -10.216 -7.028 -4.152 1.00 0.00 C ATOM 1570 C THR A 104 -11.181 -7.797 -5.046 1.00 0.00 C ATOM 1571 O THR A 104 -12.399 -7.696 -4.895 1.00 0.00 O ATOM 1572 CB THR A 104 -9.593 -8.001 -3.133 1.00 0.00 C ATOM 1573 OG1 THR A 104 -10.597 -8.474 -2.229 1.00 0.00 O ATOM 1574 CG2 THR A 104 -8.478 -7.324 -2.350 1.00 0.00 C ATOM 0 H THR A 104 -10.860 -5.960 -2.467 1.00 0.00 H new ATOM 0 HA THR A 104 -9.423 -6.597 -4.763 1.00 0.00 H new ATOM 0 HB THR A 104 -9.172 -8.844 -3.681 1.00 0.00 H new ATOM 0 HG1 THR A 104 -10.171 -8.963 -1.494 1.00 0.00 H new ATOM 0 HG21 THR A 104 -8.053 -8.031 -1.637 1.00 0.00 H new ATOM 0 HG22 THR A 104 -7.701 -6.991 -3.038 1.00 0.00 H new ATOM 0 HG23 THR A 104 -8.880 -6.464 -1.814 1.00 0.00 H new ATOM 1582 N LYS A 105 -10.631 -8.567 -5.979 1.00 0.00 N ATOM 1583 CA LYS A 105 -11.443 -9.356 -6.898 1.00 0.00 C ATOM 1584 C LYS A 105 -11.347 -10.843 -6.569 1.00 0.00 C ATOM 1585 O LYS A 105 -12.303 -11.594 -6.762 1.00 0.00 O ATOM 1586 CB LYS A 105 -10.997 -9.113 -8.342 1.00 0.00 C ATOM 1587 CG LYS A 105 -11.537 -7.823 -8.935 1.00 0.00 C ATOM 1588 CD LYS A 105 -12.957 -7.996 -9.448 1.00 0.00 C ATOM 1589 CE LYS A 105 -12.974 -8.542 -10.867 1.00 0.00 C ATOM 1590 NZ LYS A 105 -12.855 -7.457 -11.881 1.00 0.00 N ATOM 0 H LYS A 105 -9.625 -8.661 -6.119 1.00 0.00 H new ATOM 0 HA LYS A 105 -12.481 -9.043 -6.787 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -9.908 -9.092 -8.379 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -11.321 -9.951 -8.960 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -11.515 -7.037 -8.180 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -10.891 -7.499 -9.751 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -13.503 -8.672 -8.790 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -13.475 -7.037 -9.420 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -12.154 -9.249 -10.994 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -13.899 -9.094 -11.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -12.871 -7.870 -12.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -13.651 -6.796 -11.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -11.960 -6.946 -11.740 1.00 0.00 H new ATOM 1604 N VAL A 106 -10.188 -11.261 -6.070 1.00 0.00 N ATOM 1605 CA VAL A 106 -9.969 -12.657 -5.712 1.00 0.00 C ATOM 1606 C VAL A 106 -9.289 -12.776 -4.353 1.00 0.00 C ATOM 1607 O VAL A 106 -8.851 -11.779 -3.777 1.00 0.00 O ATOM 1608 CB VAL A 106 -9.111 -13.379 -6.768 1.00 0.00 C ATOM 1609 CG1 VAL A 106 -9.709 -13.202 -8.155 1.00 0.00 C ATOM 1610 CG2 VAL A 106 -7.678 -12.871 -6.727 1.00 0.00 C ATOM 0 H VAL A 106 -9.386 -10.652 -5.905 1.00 0.00 H new ATOM 0 HA VAL A 106 -10.950 -13.130 -5.666 1.00 0.00 H new ATOM 0 HB VAL A 106 -9.102 -14.444 -6.537 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -9.089 -13.719 -8.887 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -10.716 -13.619 -8.173 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -9.751 -12.141 -8.400 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -7.086 -13.392 -7.479 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -7.665 -11.801 -6.932 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -7.254 -13.056 -5.740 1.00 0.00 H new ATOM 1620 N ASP A 107 -9.204 -14.000 -3.845 1.00 0.00 N ATOM 1621 CA ASP A 107 -8.575 -14.250 -2.553 1.00 0.00 C ATOM 1622 C ASP A 107 -7.062 -14.375 -2.700 1.00 0.00 C ATOM 1623 O ASP A 107 -6.536 -14.393 -3.813 1.00 0.00 O ATOM 1624 CB ASP A 107 -9.145 -15.521 -1.922 1.00 0.00 C ATOM 1625 CG ASP A 107 -10.660 -15.510 -1.865 1.00 0.00 C ATOM 1626 OD1 ASP A 107 -11.293 -15.341 -2.928 1.00 0.00 O ATOM 1627 OD2 ASP A 107 -11.213 -15.670 -0.756 1.00 0.00 O ATOM 0 H ASP A 107 -9.563 -14.835 -4.308 1.00 0.00 H new ATOM 0 HA ASP A 107 -8.790 -13.402 -1.902 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -8.812 -16.388 -2.493 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -8.747 -15.632 -0.913 1.00 0.00 H new ATOM 1632 N ASP A 108 -6.368 -14.458 -1.570 1.00 0.00 N ATOM 1633 CA ASP A 108 -4.915 -14.581 -1.573 1.00 0.00 C ATOM 1634 C ASP A 108 -4.270 -13.385 -2.266 1.00 0.00 C ATOM 1635 O ASP A 108 -3.347 -13.542 -3.066 1.00 0.00 O ATOM 1636 CB ASP A 108 -4.493 -15.877 -2.267 1.00 0.00 C ATOM 1637 CG ASP A 108 -3.085 -16.301 -1.895 1.00 0.00 C ATOM 1638 OD1 ASP A 108 -2.593 -15.859 -0.835 1.00 0.00 O ATOM 1639 OD2 ASP A 108 -2.476 -17.074 -2.663 1.00 0.00 O ATOM 0 H ASP A 108 -6.788 -14.442 -0.641 1.00 0.00 H new ATOM 0 HA ASP A 108 -4.575 -14.605 -0.538 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -5.191 -16.671 -2.002 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -4.556 -15.745 -3.347 1.00 0.00 H new ATOM 1644 N CYS A 109 -4.763 -12.191 -1.955 1.00 0.00 N ATOM 1645 CA CYS A 109 -4.235 -10.968 -2.549 1.00 0.00 C ATOM 1646 C CYS A 109 -3.162 -10.350 -1.659 1.00 0.00 C ATOM 1647 O CYS A 109 -3.408 -10.054 -0.490 1.00 0.00 O ATOM 1648 CB CYS A 109 -5.364 -9.962 -2.782 1.00 0.00 C ATOM 1649 SG CYS A 109 -6.264 -10.209 -4.331 1.00 0.00 S ATOM 0 H CYS A 109 -5.527 -12.044 -1.295 1.00 0.00 H new ATOM 0 HA CYS A 109 -3.782 -11.224 -3.507 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -6.068 -10.023 -1.952 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -4.947 -8.955 -2.773 1.00 0.00 H new ATOM 0 HG CYS A 109 -7.423 -10.742 -4.079 1.00 0.00 H new ATOM 1655 N GLN A 110 -1.973 -10.159 -2.220 1.00 0.00 N ATOM 1656 CA GLN A 110 -0.862 -9.578 -1.476 1.00 0.00 C ATOM 1657 C GLN A 110 -0.749 -8.081 -1.746 1.00 0.00 C ATOM 1658 O GLN A 110 -1.085 -7.609 -2.832 1.00 0.00 O ATOM 1659 CB GLN A 110 0.448 -10.275 -1.847 1.00 0.00 C ATOM 1660 CG GLN A 110 0.694 -11.561 -1.075 1.00 0.00 C ATOM 1661 CD GLN A 110 1.905 -12.322 -1.577 1.00 0.00 C ATOM 1662 OE1 GLN A 110 2.325 -12.156 -2.723 1.00 0.00 O ATOM 1663 NE2 GLN A 110 2.473 -13.163 -0.721 1.00 0.00 N ATOM 0 H GLN A 110 -1.754 -10.398 -3.187 1.00 0.00 H new ATOM 0 HA GLN A 110 -1.055 -9.723 -0.413 1.00 0.00 H new ATOM 0 HB2 GLN A 110 0.442 -10.497 -2.914 1.00 0.00 H new ATOM 0 HB3 GLN A 110 1.277 -9.590 -1.669 1.00 0.00 H new ATOM 0 HG2 GLN A 110 0.830 -11.326 -0.019 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -0.187 -12.199 -1.149 1.00 0.00 H new ATOM 0 HE21 GLN A 110 2.091 -13.269 0.219 1.00 0.00 H new ATOM 0 HE22 GLN A 110 3.291 -13.703 -1.003 1.00 0.00 H new ATOM 1672 N PHE A 111 -0.275 -7.340 -0.750 1.00 0.00 N ATOM 1673 CA PHE A 111 -0.119 -5.895 -0.879 1.00 0.00 C ATOM 1674 C PHE A 111 1.013 -5.389 0.009 1.00 0.00 C ATOM 1675 O PHE A 111 1.514 -6.113 0.869 1.00 0.00 O ATOM 1676 CB PHE A 111 -1.425 -5.186 -0.516 1.00 0.00 C ATOM 1677 CG PHE A 111 -2.591 -5.605 -1.364 1.00 0.00 C ATOM 1678 CD1 PHE A 111 -2.721 -5.141 -2.664 1.00 0.00 C ATOM 1679 CD2 PHE A 111 -3.558 -6.462 -0.863 1.00 0.00 C ATOM 1680 CE1 PHE A 111 -3.794 -5.525 -3.446 1.00 0.00 C ATOM 1681 CE2 PHE A 111 -4.632 -6.849 -1.641 1.00 0.00 C ATOM 1682 CZ PHE A 111 -4.750 -6.381 -2.935 1.00 0.00 C ATOM 0 H PHE A 111 0.008 -7.716 0.155 1.00 0.00 H new ATOM 0 HA PHE A 111 0.131 -5.672 -1.916 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -1.658 -5.384 0.530 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -1.284 -4.110 -0.613 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -1.976 -4.473 -3.070 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -3.471 -6.832 0.148 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -3.885 -5.156 -4.457 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -5.379 -7.517 -1.238 1.00 0.00 H new ATOM 0 HZ PHE A 111 -5.588 -6.684 -3.546 1.00 0.00 H new ATOM 1692 N VAL A 112 1.412 -4.139 -0.206 1.00 0.00 N ATOM 1693 CA VAL A 112 2.484 -3.534 0.575 1.00 0.00 C ATOM 1694 C VAL A 112 2.148 -2.094 0.947 1.00 0.00 C ATOM 1695 O VAL A 112 1.553 -1.360 0.156 1.00 0.00 O ATOM 1696 CB VAL A 112 3.819 -3.556 -0.193 1.00 0.00 C ATOM 1697 CG1 VAL A 112 3.713 -2.738 -1.471 1.00 0.00 C ATOM 1698 CG2 VAL A 112 4.948 -3.041 0.687 1.00 0.00 C ATOM 0 H VAL A 112 1.009 -3.526 -0.915 1.00 0.00 H new ATOM 0 HA VAL A 112 2.586 -4.127 1.484 1.00 0.00 H new ATOM 0 HB VAL A 112 4.044 -4.587 -0.467 1.00 0.00 H new ATOM 0 HG11 VAL A 112 4.665 -2.765 -2.000 1.00 0.00 H new ATOM 0 HG12 VAL A 112 2.933 -3.156 -2.107 1.00 0.00 H new ATOM 0 HG13 VAL A 112 3.465 -1.706 -1.223 1.00 0.00 H new ATOM 0 HG21 VAL A 112 5.884 -3.063 0.129 1.00 0.00 H new ATOM 0 HG22 VAL A 112 4.733 -2.017 0.993 1.00 0.00 H new ATOM 0 HG23 VAL A 112 5.038 -3.673 1.571 1.00 0.00 H new ATOM 1708 N CYS A 113 2.533 -1.695 2.154 1.00 0.00 N ATOM 1709 CA CYS A 113 2.272 -0.342 2.632 1.00 0.00 C ATOM 1710 C CYS A 113 3.567 0.457 2.736 1.00 0.00 C ATOM 1711 O CYS A 113 4.599 -0.067 3.156 1.00 0.00 O ATOM 1712 CB CYS A 113 1.574 -0.384 3.992 1.00 0.00 C ATOM 1713 SG CYS A 113 0.453 1.003 4.290 1.00 0.00 S ATOM 0 H CYS A 113 3.027 -2.289 2.820 1.00 0.00 H new ATOM 0 HA CYS A 113 1.619 0.151 1.912 1.00 0.00 H new ATOM 0 HB2 CYS A 113 1.012 -1.315 4.071 1.00 0.00 H new ATOM 0 HB3 CYS A 113 2.331 -0.401 4.776 1.00 0.00 H new ATOM 0 HG CYS A 113 -0.646 0.825 3.618 1.00 0.00 H new ATOM 1719 N ILE A 114 3.506 1.727 2.348 1.00 0.00 N ATOM 1720 CA ILE A 114 4.674 2.597 2.398 1.00 0.00 C ATOM 1721 C ILE A 114 4.275 4.034 2.719 1.00 0.00 C ATOM 1722 O ILE A 114 3.512 4.657 1.982 1.00 0.00 O ATOM 1723 CB ILE A 114 5.448 2.577 1.066 1.00 0.00 C ATOM 1724 CG1 ILE A 114 6.090 1.206 0.846 1.00 0.00 C ATOM 1725 CG2 ILE A 114 6.504 3.671 1.051 1.00 0.00 C ATOM 1726 CD1 ILE A 114 6.443 0.929 -0.599 1.00 0.00 C ATOM 0 H ILE A 114 2.660 2.176 1.996 1.00 0.00 H new ATOM 0 HA ILE A 114 5.319 2.215 3.190 1.00 0.00 H new ATOM 0 HB ILE A 114 4.748 2.765 0.252 1.00 0.00 H new ATOM 0 HG12 ILE A 114 6.993 1.135 1.452 1.00 0.00 H new ATOM 0 HG13 ILE A 114 5.407 0.433 1.199 1.00 0.00 H new ATOM 0 HG21 ILE A 114 7.042 3.644 0.104 1.00 0.00 H new ATOM 0 HG22 ILE A 114 6.023 4.642 1.168 1.00 0.00 H new ATOM 0 HG23 ILE A 114 7.204 3.512 1.871 1.00 0.00 H new ATOM 0 HD11 ILE A 114 6.894 -0.060 -0.680 1.00 0.00 H new ATOM 0 HD12 ILE A 114 5.540 0.967 -1.208 1.00 0.00 H new ATOM 0 HD13 ILE A 114 7.150 1.680 -0.951 1.00 0.00 H new ATOM 1738 N ALA A 115 4.800 4.554 3.824 1.00 0.00 N ATOM 1739 CA ALA A 115 4.503 5.919 4.241 1.00 0.00 C ATOM 1740 C ALA A 115 4.950 6.925 3.186 1.00 0.00 C ATOM 1741 O ALA A 115 5.987 6.749 2.547 1.00 0.00 O ATOM 1742 CB ALA A 115 5.169 6.220 5.575 1.00 0.00 C ATOM 0 H ALA A 115 5.433 4.051 4.446 1.00 0.00 H new ATOM 0 HA ALA A 115 3.423 6.010 4.358 1.00 0.00 H new ATOM 0 HB1 ALA A 115 4.939 7.243 5.874 1.00 0.00 H new ATOM 0 HB2 ALA A 115 4.798 5.528 6.331 1.00 0.00 H new ATOM 0 HB3 ALA A 115 6.248 6.105 5.477 1.00 0.00 H new ATOM 1748 N GLN A 116 4.160 7.980 3.008 1.00 0.00 N ATOM 1749 CA GLN A 116 4.475 9.013 2.029 1.00 0.00 C ATOM 1750 C GLN A 116 5.796 9.697 2.365 1.00 0.00 C ATOM 1751 O GLN A 116 6.597 9.988 1.478 1.00 0.00 O ATOM 1752 CB GLN A 116 3.351 10.049 1.970 1.00 0.00 C ATOM 1753 CG GLN A 116 3.422 11.087 3.078 1.00 0.00 C ATOM 1754 CD GLN A 116 2.477 12.251 2.849 1.00 0.00 C ATOM 1755 OE1 GLN A 116 1.568 12.493 3.643 1.00 0.00 O ATOM 1756 NE2 GLN A 116 2.689 12.979 1.759 1.00 0.00 N ATOM 0 H GLN A 116 3.298 8.141 3.529 1.00 0.00 H new ATOM 0 HA GLN A 116 4.572 8.536 1.054 1.00 0.00 H new ATOM 0 HB2 GLN A 116 3.386 10.556 1.006 1.00 0.00 H new ATOM 0 HB3 GLN A 116 2.391 9.535 2.026 1.00 0.00 H new ATOM 0 HG2 GLN A 116 3.184 10.613 4.030 1.00 0.00 H new ATOM 0 HG3 GLN A 116 4.443 11.462 3.154 1.00 0.00 H new ATOM 0 HE21 GLN A 116 3.455 12.742 1.128 1.00 0.00 H new ATOM 0 HE22 GLN A 116 2.086 13.775 1.552 1.00 0.00 H new ATOM 1765 N GLN A 117 6.015 9.951 3.651 1.00 0.00 N ATOM 1766 CA GLN A 117 7.238 10.602 4.103 1.00 0.00 C ATOM 1767 C GLN A 117 8.469 9.889 3.553 1.00 0.00 C ATOM 1768 O GLN A 117 9.364 10.521 2.990 1.00 0.00 O ATOM 1769 CB GLN A 117 7.292 10.630 5.632 1.00 0.00 C ATOM 1770 CG GLN A 117 6.616 11.848 6.242 1.00 0.00 C ATOM 1771 CD GLN A 117 7.568 13.014 6.421 1.00 0.00 C ATOM 1772 OE1 GLN A 117 8.589 12.898 7.099 1.00 0.00 O ATOM 1773 NE2 GLN A 117 7.238 14.147 5.812 1.00 0.00 N ATOM 0 H GLN A 117 5.361 9.716 4.398 1.00 0.00 H new ATOM 0 HA GLN A 117 7.234 11.625 3.728 1.00 0.00 H new ATOM 0 HB2 GLN A 117 6.818 9.729 6.021 1.00 0.00 H new ATOM 0 HB3 GLN A 117 8.334 10.605 5.951 1.00 0.00 H new ATOM 0 HG2 GLN A 117 5.786 12.155 5.605 1.00 0.00 H new ATOM 0 HG3 GLN A 117 6.192 11.578 7.209 1.00 0.00 H new ATOM 0 HE21 GLN A 117 6.382 14.199 5.260 1.00 0.00 H new ATOM 0 HE22 GLN A 117 7.841 14.966 5.896 1.00 0.00 H new ATOM 1782 N ASP A 118 8.508 8.572 3.719 1.00 0.00 N ATOM 1783 CA ASP A 118 9.629 7.773 3.238 1.00 0.00 C ATOM 1784 C ASP A 118 9.577 7.621 1.721 1.00 0.00 C ATOM 1785 O ASP A 118 10.609 7.473 1.066 1.00 0.00 O ATOM 1786 CB ASP A 118 9.623 6.395 3.902 1.00 0.00 C ATOM 1787 CG ASP A 118 10.372 6.384 5.220 1.00 0.00 C ATOM 1788 OD1 ASP A 118 11.532 6.847 5.247 1.00 0.00 O ATOM 1789 OD2 ASP A 118 9.798 5.914 6.224 1.00 0.00 O ATOM 0 H ASP A 118 7.776 8.035 4.183 1.00 0.00 H new ATOM 0 HA ASP A 118 10.551 8.290 3.502 1.00 0.00 H new ATOM 0 HB2 ASP A 118 8.593 6.080 4.070 1.00 0.00 H new ATOM 0 HB3 ASP A 118 10.072 5.667 3.226 1.00 0.00 H new ATOM 1794 N TYR A 119 8.369 7.656 1.169 1.00 0.00 N ATOM 1795 CA TYR A 119 8.181 7.519 -0.270 1.00 0.00 C ATOM 1796 C TYR A 119 8.778 8.710 -1.013 1.00 0.00 C ATOM 1797 O TYR A 119 8.937 8.678 -2.234 1.00 0.00 O ATOM 1798 CB TYR A 119 6.694 7.389 -0.602 1.00 0.00 C ATOM 1799 CG TYR A 119 6.427 6.776 -1.958 1.00 0.00 C ATOM 1800 CD1 TYR A 119 7.115 5.645 -2.378 1.00 0.00 C ATOM 1801 CD2 TYR A 119 5.487 7.329 -2.819 1.00 0.00 C ATOM 1802 CE1 TYR A 119 6.876 5.082 -3.617 1.00 0.00 C ATOM 1803 CE2 TYR A 119 5.240 6.772 -4.059 1.00 0.00 C ATOM 1804 CZ TYR A 119 5.937 5.649 -4.453 1.00 0.00 C ATOM 1805 OH TYR A 119 5.694 5.092 -5.688 1.00 0.00 O ATOM 0 H TYR A 119 7.505 7.778 1.697 1.00 0.00 H new ATOM 0 HA TYR A 119 8.698 6.616 -0.594 1.00 0.00 H new ATOM 0 HB2 TYR A 119 6.211 6.781 0.163 1.00 0.00 H new ATOM 0 HB3 TYR A 119 6.234 8.376 -0.562 1.00 0.00 H new ATOM 0 HD1 TYR A 119 7.850 5.198 -1.725 1.00 0.00 H new ATOM 0 HD2 TYR A 119 4.940 8.209 -2.514 1.00 0.00 H new ATOM 0 HE1 TYR A 119 7.421 4.203 -3.929 1.00 0.00 H new ATOM 0 HE2 TYR A 119 4.505 7.213 -4.716 1.00 0.00 H new ATOM 0 HH TYR A 119 5.381 4.170 -5.575 1.00 0.00 H new ATOM 1815 N TRP A 120 9.105 9.760 -0.269 1.00 0.00 N ATOM 1816 CA TRP A 120 9.685 10.962 -0.856 1.00 0.00 C ATOM 1817 C TRP A 120 11.128 11.150 -0.399 1.00 0.00 C ATOM 1818 O TRP A 120 11.765 12.152 -0.723 1.00 0.00 O ATOM 1819 CB TRP A 120 8.854 12.190 -0.479 1.00 0.00 C ATOM 1820 CG TRP A 120 9.536 13.487 -0.793 1.00 0.00 C ATOM 1821 CD1 TRP A 120 9.588 14.114 -2.005 1.00 0.00 C ATOM 1822 CD2 TRP A 120 10.264 14.315 0.121 1.00 0.00 C ATOM 1823 NE1 TRP A 120 10.305 15.281 -1.901 1.00 0.00 N ATOM 1824 CE2 TRP A 120 10.730 15.429 -0.607 1.00 0.00 C ATOM 1825 CE3 TRP A 120 10.566 14.226 1.482 1.00 0.00 C ATOM 1826 CZ2 TRP A 120 11.481 16.441 -0.016 1.00 0.00 C ATOM 1827 CZ3 TRP A 120 11.312 15.232 2.066 1.00 0.00 C ATOM 1828 CH2 TRP A 120 11.762 16.328 1.318 1.00 0.00 C ATOM 0 H TRP A 120 8.978 9.803 0.742 1.00 0.00 H new ATOM 0 HA TRP A 120 9.679 10.846 -1.940 1.00 0.00 H new ATOM 0 HB2 TRP A 120 7.901 12.151 -1.007 1.00 0.00 H new ATOM 0 HB3 TRP A 120 8.629 12.155 0.587 1.00 0.00 H new ATOM 0 HD1 TRP A 120 9.132 13.746 -2.912 1.00 0.00 H new ATOM 0 HE1 TRP A 120 10.491 15.932 -2.664 1.00 0.00 H new ATOM 0 HE3 TRP A 120 10.223 13.386 2.067 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 11.830 17.286 -0.591 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 11.552 15.172 3.117 1.00 0.00 H new ATOM 0 HH2 TRP A 120 12.342 17.099 1.804 1.00 0.00 H new ATOM 1839 N ARG A 121 11.637 10.180 0.353 1.00 0.00 N ATOM 1840 CA ARG A 121 13.005 10.240 0.854 1.00 0.00 C ATOM 1841 C ARG A 121 13.911 9.292 0.074 1.00 0.00 C ATOM 1842 O ARG A 121 15.126 9.487 0.017 1.00 0.00 O ATOM 1843 CB ARG A 121 13.041 9.887 2.343 1.00 0.00 C ATOM 1844 CG ARG A 121 14.430 9.968 2.954 1.00 0.00 C ATOM 1845 CD ARG A 121 14.732 11.368 3.467 1.00 0.00 C ATOM 1846 NE ARG A 121 15.678 11.350 4.580 1.00 0.00 N ATOM 1847 CZ ARG A 121 15.419 10.789 5.756 1.00 0.00 C ATOM 1848 NH1 ARG A 121 14.249 10.202 5.971 1.00 0.00 N ATOM 1849 NH2 ARG A 121 16.330 10.814 6.719 1.00 0.00 N ATOM 0 H ARG A 121 11.123 9.343 0.629 1.00 0.00 H new ATOM 0 HA ARG A 121 13.371 11.258 0.720 1.00 0.00 H new ATOM 0 HB2 ARG A 121 12.376 10.560 2.884 1.00 0.00 H new ATOM 0 HB3 ARG A 121 12.652 8.878 2.478 1.00 0.00 H new ATOM 0 HG2 ARG A 121 14.510 9.254 3.773 1.00 0.00 H new ATOM 0 HG3 ARG A 121 15.173 9.684 2.209 1.00 0.00 H new ATOM 0 HD2 ARG A 121 15.138 11.972 2.656 1.00 0.00 H new ATOM 0 HD3 ARG A 121 13.805 11.845 3.786 1.00 0.00 H new ATOM 0 HE ARG A 121 16.587 11.792 4.447 1.00 0.00 H new ATOM 0 HH11 ARG A 121 13.546 10.181 5.232 1.00 0.00 H new ATOM 0 HH12 ARG A 121 14.053 9.772 6.875 1.00 0.00 H new ATOM 0 HH21 ARG A 121 17.231 11.264 6.557 1.00 0.00 H new ATOM 0 HH22 ARG A 121 16.130 10.383 7.622 1.00 0.00 H new ATOM 1863 N ILE A 122 13.313 8.267 -0.523 1.00 0.00 N ATOM 1864 CA ILE A 122 14.067 7.291 -1.300 1.00 0.00 C ATOM 1865 C ILE A 122 14.117 7.680 -2.773 1.00 0.00 C ATOM 1866 O ILE A 122 15.190 7.930 -3.324 1.00 0.00 O ATOM 1867 CB ILE A 122 13.460 5.881 -1.173 1.00 0.00 C ATOM 1868 CG1 ILE A 122 13.460 5.431 0.289 1.00 0.00 C ATOM 1869 CG2 ILE A 122 14.229 4.893 -2.037 1.00 0.00 C ATOM 1870 CD1 ILE A 122 12.684 4.155 0.529 1.00 0.00 C ATOM 0 H ILE A 122 12.309 8.091 -0.484 1.00 0.00 H new ATOM 0 HA ILE A 122 15.079 7.280 -0.896 1.00 0.00 H new ATOM 0 HB ILE A 122 12.428 5.913 -1.523 1.00 0.00 H new ATOM 0 HG12 ILE A 122 14.490 5.287 0.616 1.00 0.00 H new ATOM 0 HG13 ILE A 122 13.037 6.225 0.905 1.00 0.00 H new ATOM 0 HG21 ILE A 122 13.788 3.901 -1.936 1.00 0.00 H new ATOM 0 HG22 ILE A 122 14.181 5.207 -3.080 1.00 0.00 H new ATOM 0 HG23 ILE A 122 15.270 4.861 -1.715 1.00 0.00 H new ATOM 0 HD11 ILE A 122 12.727 3.896 1.587 1.00 0.00 H new ATOM 0 HD12 ILE A 122 11.645 4.300 0.233 1.00 0.00 H new ATOM 0 HD13 ILE A 122 13.120 3.348 -0.060 1.00 0.00 H new ATOM 1882 N LEU A 123 12.950 7.732 -3.405 1.00 0.00 N ATOM 1883 CA LEU A 123 12.860 8.094 -4.816 1.00 0.00 C ATOM 1884 C LEU A 123 13.529 9.440 -5.077 1.00 0.00 C ATOM 1885 O LEU A 123 14.444 9.540 -5.892 1.00 0.00 O ATOM 1886 CB LEU A 123 11.396 8.145 -5.256 1.00 0.00 C ATOM 1887 CG LEU A 123 10.724 6.796 -5.514 1.00 0.00 C ATOM 1888 CD1 LEU A 123 10.082 6.267 -4.241 1.00 0.00 C ATOM 1889 CD2 LEU A 123 9.691 6.918 -6.624 1.00 0.00 C ATOM 0 H LEU A 123 12.053 7.528 -2.964 1.00 0.00 H new ATOM 0 HA LEU A 123 13.381 7.332 -5.396 1.00 0.00 H new ATOM 0 HB2 LEU A 123 10.826 8.672 -4.491 1.00 0.00 H new ATOM 0 HB3 LEU A 123 11.332 8.740 -6.167 1.00 0.00 H new ATOM 0 HG LEU A 123 11.488 6.087 -5.833 1.00 0.00 H new ATOM 0 HD11 LEU A 123 9.609 5.306 -4.444 1.00 0.00 H new ATOM 0 HD12 LEU A 123 10.846 6.140 -3.474 1.00 0.00 H new ATOM 0 HD13 LEU A 123 9.331 6.975 -3.891 1.00 0.00 H new ATOM 0 HD21 LEU A 123 9.223 5.948 -6.794 1.00 0.00 H new ATOM 0 HD22 LEU A 123 8.930 7.643 -6.335 1.00 0.00 H new ATOM 0 HD23 LEU A 123 10.179 7.251 -7.540 1.00 0.00 H new ATOM 1901 N ASN A 124 13.066 10.470 -4.377 1.00 0.00 N ATOM 1902 CA ASN A 124 13.621 11.810 -4.532 1.00 0.00 C ATOM 1903 C ASN A 124 15.113 11.821 -4.213 1.00 0.00 C ATOM 1904 O ASN A 124 15.702 10.783 -3.911 1.00 0.00 O ATOM 1905 CB ASN A 124 12.886 12.798 -3.623 1.00 0.00 C ATOM 1906 CG ASN A 124 11.466 13.061 -4.085 1.00 0.00 C ATOM 1907 OD1 ASN A 124 10.573 12.113 -3.821 1.00 0.00 O flip ATOM 1908 ND2 ASN A 124 11.174 14.103 -4.671 1.00 0.00 N flip ATOM 0 H ASN A 124 12.308 10.403 -3.697 1.00 0.00 H new ATOM 0 HA ASN A 124 13.487 12.114 -5.570 1.00 0.00 H new ATOM 0 HB2 ASN A 124 12.868 12.407 -2.606 1.00 0.00 H new ATOM 0 HB3 ASN A 124 13.436 13.739 -3.593 1.00 0.00 H new ATOM 0 HD21 ASN A 124 11.892 14.804 -4.853 1.00 0.00 H new ATOM 0 HD22 ASN A 124 10.214 14.265 -4.975 1.00 0.00 H new ATOM 1915 N HIS A 125 15.718 13.003 -4.280 1.00 0.00 N ATOM 1916 CA HIS A 125 17.141 13.150 -3.997 1.00 0.00 C ATOM 1917 C HIS A 125 17.362 13.993 -2.745 1.00 0.00 C ATOM 1918 O HIS A 125 18.340 14.734 -2.647 1.00 0.00 O ATOM 1919 CB HIS A 125 17.857 13.788 -5.188 1.00 0.00 C ATOM 1920 CG HIS A 125 18.061 12.849 -6.337 1.00 0.00 C ATOM 1921 ND1 HIS A 125 18.030 13.255 -7.655 1.00 0.00 N ATOM 1922 CD2 HIS A 125 18.302 11.518 -6.360 1.00 0.00 C ATOM 1923 CE1 HIS A 125 18.242 12.213 -8.439 1.00 0.00 C ATOM 1924 NE2 HIS A 125 18.411 11.146 -7.678 1.00 0.00 N ATOM 0 H HIS A 125 15.245 13.872 -4.528 1.00 0.00 H new ATOM 0 HA HIS A 125 17.555 12.157 -3.823 1.00 0.00 H new ATOM 0 HB2 HIS A 125 17.281 14.648 -5.530 1.00 0.00 H new ATOM 0 HB3 HIS A 125 18.826 14.164 -4.860 1.00 0.00 H new ATOM 0 HD2 HIS A 125 18.392 10.869 -5.502 1.00 0.00 H new ATOM 0 HE1 HIS A 125 18.272 12.230 -9.518 1.00 0.00 H new ATOM 0 HE2 HIS A 125 18.593 10.200 -8.014 1.00 0.00 H new