USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 649 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 72 GLN : amide:sc= -0.0464 X(o=-0.25,f=-0.29) USER MOD Set 1.2: A 75 ASN : amide:sc= -0.207 X(o=-0.25,f=-0.32) USER MOD Set 2.1: A 25 GLN : amide:sc= -1.23 K(o=-7.6,f=-8.3!) USER MOD Set 2.2: A 37 MET CE :methyl 146:sc= -6.4! (180deg=-8.61!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 170:sc= -0.981 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0.098) USER MOD Single : A 24 GLN :FLIP amide:sc= 0 F(o=-0.89,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0.0385 USER MOD Single : A 39 THR OG1 : rot -83:sc= 1.05 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 TYR OH : rot 180:sc= -0.088 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 141:sc= -2.53! USER MOD Single : A 54 GLN : amide:sc= -0.234 X(o=-0.23,f=0) USER MOD Single : A 55 GLN : amide:sc=0.000993 X(o=0.00099,f=-0.053) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.0585 X(o=-0.059,f=-0.35) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -1.69! C(o=-1.7!,f=-2.9!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 84 LYS NZ :NH3+ -162:sc= -0.0171 (180deg=-0.138) USER MOD Single : A 85 TYR OH : rot 100:sc= -1.49! USER MOD ----------------------------------------------------------------- ATOM 87 N LYS A 8 4.658 20.897 -1.860 1.00 0.00 N ATOM 88 CA LYS A 8 5.321 19.843 -2.613 1.00 0.00 C ATOM 89 C LYS A 8 6.182 18.986 -1.692 1.00 0.00 C ATOM 90 O LYS A 8 6.363 17.792 -1.930 1.00 0.00 O ATOM 91 CB LYS A 8 6.183 20.446 -3.725 1.00 0.00 C ATOM 92 CG LYS A 8 5.947 19.814 -5.087 1.00 0.00 C ATOM 93 CD LYS A 8 4.794 20.479 -5.818 1.00 0.00 C ATOM 94 CE LYS A 8 5.143 21.898 -6.240 1.00 0.00 C ATOM 95 NZ LYS A 8 4.038 22.852 -5.953 1.00 0.00 N ATOM 0 HA LYS A 8 4.556 19.210 -3.063 1.00 0.00 H new ATOM 0 HB2 LYS A 8 5.982 21.515 -3.790 1.00 0.00 H new ATOM 0 HB3 LYS A 8 7.234 20.335 -3.459 1.00 0.00 H new ATOM 0 HG2 LYS A 8 6.853 19.893 -5.687 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.737 18.751 -4.965 1.00 0.00 H new ATOM 0 HD2 LYS A 8 4.533 19.891 -6.698 1.00 0.00 H new ATOM 0 HD3 LYS A 8 3.915 20.496 -5.173 1.00 0.00 H new ATOM 0 HE2 LYS A 8 6.045 22.220 -5.719 1.00 0.00 H new ATOM 0 HE3 LYS A 8 5.368 21.914 -7.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 4.317 23.807 -6.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 3.184 22.560 -6.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 3.840 22.856 -4.932 1.00 0.00 H new ATOM 109 N ASP A 9 6.707 19.602 -0.635 1.00 0.00 N ATOM 110 CA ASP A 9 7.544 18.886 0.318 1.00 0.00 C ATOM 111 C ASP A 9 6.721 17.857 1.080 1.00 0.00 C ATOM 112 O ASP A 9 7.136 16.706 1.228 1.00 0.00 O ATOM 113 CB ASP A 9 8.202 19.863 1.295 1.00 0.00 C ATOM 114 CG ASP A 9 9.388 19.253 2.013 1.00 0.00 C ATOM 115 OD1 ASP A 9 9.176 18.574 3.040 1.00 0.00 O ATOM 116 OD2 ASP A 9 10.531 19.455 1.551 1.00 0.00 O ATOM 0 H ASP A 9 6.567 20.589 -0.420 1.00 0.00 H new ATOM 0 HA ASP A 9 8.327 18.368 -0.236 1.00 0.00 H new ATOM 0 HB2 ASP A 9 8.527 20.751 0.753 1.00 0.00 H new ATOM 0 HB3 ASP A 9 7.465 20.190 2.029 1.00 0.00 H new ATOM 121 N LEU A 10 5.541 18.262 1.541 1.00 0.00 N ATOM 122 CA LEU A 10 4.662 17.349 2.260 1.00 0.00 C ATOM 123 C LEU A 10 4.252 16.212 1.342 1.00 0.00 C ATOM 124 O LEU A 10 4.228 15.048 1.744 1.00 0.00 O ATOM 125 CB LEU A 10 3.421 18.083 2.774 1.00 0.00 C ATOM 126 CG LEU A 10 2.966 17.685 4.179 1.00 0.00 C ATOM 127 CD1 LEU A 10 2.680 16.196 4.246 1.00 0.00 C ATOM 128 CD2 LEU A 10 4.011 18.070 5.211 1.00 0.00 C ATOM 0 H LEU A 10 5.175 19.208 1.430 1.00 0.00 H new ATOM 0 HA LEU A 10 5.200 16.947 3.119 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.622 19.154 2.764 1.00 0.00 H new ATOM 0 HB3 LEU A 10 2.600 17.906 2.079 1.00 0.00 H new ATOM 0 HG LEU A 10 2.046 18.224 4.404 1.00 0.00 H new ATOM 0 HD11 LEU A 10 2.358 15.932 5.253 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.893 15.944 3.536 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.584 15.640 3.997 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.667 17.778 6.203 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.948 17.561 4.987 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.169 19.148 5.184 1.00 0.00 H new ATOM 140 N ILE A 11 3.940 16.557 0.097 1.00 0.00 N ATOM 141 CA ILE A 11 3.546 15.562 -0.881 1.00 0.00 C ATOM 142 C ILE A 11 4.688 14.585 -1.120 1.00 0.00 C ATOM 143 O ILE A 11 4.505 13.378 -1.007 1.00 0.00 O ATOM 144 CB ILE A 11 3.134 16.211 -2.217 1.00 0.00 C ATOM 145 CG1 ILE A 11 2.016 17.228 -1.987 1.00 0.00 C ATOM 146 CG2 ILE A 11 2.695 15.149 -3.214 1.00 0.00 C ATOM 147 CD1 ILE A 11 1.950 18.306 -3.046 1.00 0.00 C ATOM 0 H ILE A 11 3.954 17.515 -0.253 1.00 0.00 H new ATOM 0 HA ILE A 11 2.683 15.030 -0.482 1.00 0.00 H new ATOM 0 HB ILE A 11 3.997 16.732 -2.632 1.00 0.00 H new ATOM 0 HG12 ILE A 11 1.061 16.704 -1.954 1.00 0.00 H new ATOM 0 HG13 ILE A 11 2.157 17.696 -1.013 1.00 0.00 H new ATOM 0 HG21 ILE A 11 2.408 15.626 -4.151 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.518 14.458 -3.396 1.00 0.00 H new ATOM 0 HG23 ILE A 11 1.844 14.601 -2.810 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.134 18.991 -2.817 1.00 0.00 H new ATOM 0 HD12 ILE A 11 2.891 18.856 -3.064 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.778 17.849 -4.020 1.00 0.00 H new ATOM 159 N SER A 12 5.867 15.105 -1.460 1.00 0.00 N ATOM 160 CA SER A 12 7.026 14.260 -1.721 1.00 0.00 C ATOM 161 C SER A 12 7.359 13.376 -0.523 1.00 0.00 C ATOM 162 O SER A 12 7.835 12.255 -0.689 1.00 0.00 O ATOM 163 CB SER A 12 8.237 15.120 -2.087 1.00 0.00 C ATOM 164 OG SER A 12 9.300 14.320 -2.578 1.00 0.00 O ATOM 0 H SER A 12 6.042 16.105 -1.560 1.00 0.00 H new ATOM 0 HA SER A 12 6.777 13.610 -2.560 1.00 0.00 H new ATOM 0 HB2 SER A 12 7.952 15.854 -2.841 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.571 15.676 -1.211 1.00 0.00 H new ATOM 0 HG SER A 12 10.062 14.893 -2.806 1.00 0.00 H new ATOM 170 N ALA A 13 7.119 13.881 0.683 1.00 0.00 N ATOM 171 CA ALA A 13 7.410 13.115 1.892 1.00 0.00 C ATOM 172 C ALA A 13 6.460 11.934 2.027 1.00 0.00 C ATOM 173 O ALA A 13 6.882 10.817 2.327 1.00 0.00 O ATOM 174 CB ALA A 13 7.347 14.004 3.124 1.00 0.00 C ATOM 0 H ALA A 13 6.728 14.808 0.850 1.00 0.00 H new ATOM 0 HA ALA A 13 8.424 12.725 1.809 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.567 13.411 4.012 1.00 0.00 H new ATOM 0 HB2 ALA A 13 8.080 14.806 3.032 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.349 14.433 3.212 1.00 0.00 H new ATOM 180 N GLY A 14 5.188 12.174 1.749 1.00 0.00 N ATOM 181 CA GLY A 14 4.220 11.096 1.790 1.00 0.00 C ATOM 182 C GLY A 14 4.477 10.156 0.639 1.00 0.00 C ATOM 183 O GLY A 14 4.414 8.940 0.770 1.00 0.00 O ATOM 0 H GLY A 14 4.810 13.087 1.498 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.294 10.560 2.736 1.00 0.00 H new ATOM 0 HA3 GLY A 14 3.208 11.497 1.729 1.00 0.00 H new ATOM 187 N LEU A 15 4.795 10.773 -0.488 1.00 0.00 N ATOM 188 CA LEU A 15 5.109 10.052 -1.707 1.00 0.00 C ATOM 189 C LEU A 15 6.228 9.059 -1.434 1.00 0.00 C ATOM 190 O LEU A 15 6.062 7.853 -1.614 1.00 0.00 O ATOM 191 CB LEU A 15 5.506 11.020 -2.818 1.00 0.00 C ATOM 192 CG LEU A 15 4.443 11.242 -3.895 1.00 0.00 C ATOM 193 CD1 LEU A 15 4.244 9.977 -4.716 1.00 0.00 C ATOM 194 CD2 LEU A 15 3.131 11.685 -3.264 1.00 0.00 C ATOM 0 H LEU A 15 4.842 11.788 -0.581 1.00 0.00 H new ATOM 0 HA LEU A 15 4.224 9.509 -2.038 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.753 11.982 -2.369 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.413 10.649 -3.295 1.00 0.00 H new ATOM 0 HG LEU A 15 4.786 12.032 -4.562 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.484 10.153 -5.477 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.183 9.704 -5.197 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.922 9.166 -4.063 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.386 11.839 -4.044 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.781 10.917 -2.574 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.285 12.617 -2.721 1.00 0.00 H new ATOM 206 N LYS A 16 7.366 9.577 -0.990 1.00 0.00 N ATOM 207 CA LYS A 16 8.514 8.739 -0.683 1.00 0.00 C ATOM 208 C LYS A 16 8.166 7.734 0.411 1.00 0.00 C ATOM 209 O LYS A 16 8.698 6.625 0.442 1.00 0.00 O ATOM 210 CB LYS A 16 9.709 9.610 -0.263 1.00 0.00 C ATOM 211 CG LYS A 16 9.745 9.955 1.221 1.00 0.00 C ATOM 212 CD LYS A 16 10.707 9.052 1.983 1.00 0.00 C ATOM 213 CE LYS A 16 11.870 9.839 2.571 1.00 0.00 C ATOM 214 NZ LYS A 16 11.968 9.666 4.047 1.00 0.00 N ATOM 0 H LYS A 16 7.517 10.574 -0.835 1.00 0.00 H new ATOM 0 HA LYS A 16 8.790 8.182 -1.579 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.631 9.092 -0.526 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.689 10.535 -0.838 1.00 0.00 H new ATOM 0 HG2 LYS A 16 10.045 10.995 1.346 1.00 0.00 H new ATOM 0 HG3 LYS A 16 8.744 9.859 1.642 1.00 0.00 H new ATOM 0 HD2 LYS A 16 10.171 8.542 2.783 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.090 8.281 1.314 1.00 0.00 H new ATOM 0 HE2 LYS A 16 12.800 9.515 2.105 1.00 0.00 H new ATOM 0 HE3 LYS A 16 11.748 10.897 2.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 12.772 10.218 4.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 11.090 9.999 4.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 12.110 8.660 4.270 1.00 0.00 H new ATOM 228 N GLU A 17 7.262 8.128 1.301 1.00 0.00 N ATOM 229 CA GLU A 17 6.837 7.259 2.388 1.00 0.00 C ATOM 230 C GLU A 17 6.055 6.072 1.839 1.00 0.00 C ATOM 231 O GLU A 17 6.289 4.926 2.224 1.00 0.00 O ATOM 232 CB GLU A 17 5.982 8.036 3.393 1.00 0.00 C ATOM 233 CG GLU A 17 6.663 8.246 4.737 1.00 0.00 C ATOM 234 CD GLU A 17 6.307 9.577 5.370 1.00 0.00 C ATOM 235 OE1 GLU A 17 5.181 9.703 5.895 1.00 0.00 O ATOM 236 OE2 GLU A 17 7.156 10.494 5.340 1.00 0.00 O ATOM 0 H GLU A 17 6.811 9.043 1.290 1.00 0.00 H new ATOM 0 HA GLU A 17 7.724 6.888 2.901 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.729 9.007 2.968 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.045 7.502 3.549 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.380 7.439 5.413 1.00 0.00 H new ATOM 0 HG3 GLU A 17 7.743 8.188 4.606 1.00 0.00 H new ATOM 243 N PHE A 18 5.124 6.361 0.937 1.00 0.00 N ATOM 244 CA PHE A 18 4.302 5.326 0.331 1.00 0.00 C ATOM 245 C PHE A 18 5.132 4.457 -0.602 1.00 0.00 C ATOM 246 O PHE A 18 5.092 3.233 -0.510 1.00 0.00 O ATOM 247 CB PHE A 18 3.130 5.953 -0.429 1.00 0.00 C ATOM 248 CG PHE A 18 1.862 5.143 -0.367 1.00 0.00 C ATOM 249 CD1 PHE A 18 1.462 4.538 0.816 1.00 0.00 C ATOM 250 CD2 PHE A 18 1.071 4.989 -1.494 1.00 0.00 C ATOM 251 CE1 PHE A 18 0.294 3.796 0.870 1.00 0.00 C ATOM 252 CE2 PHE A 18 -0.095 4.249 -1.445 1.00 0.00 C ATOM 253 CZ PHE A 18 -0.483 3.652 -0.262 1.00 0.00 C ATOM 0 H PHE A 18 4.921 7.306 0.610 1.00 0.00 H new ATOM 0 HA PHE A 18 3.906 4.695 1.126 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.936 6.946 -0.024 1.00 0.00 H new ATOM 0 HB3 PHE A 18 3.415 6.085 -1.473 1.00 0.00 H new ATOM 0 HD1 PHE A 18 2.068 4.647 1.704 1.00 0.00 H new ATOM 0 HD2 PHE A 18 1.369 5.453 -2.422 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.009 3.331 1.796 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.702 4.138 -2.331 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.394 3.073 -0.222 1.00 0.00 H new ATOM 263 N SER A 19 5.896 5.091 -1.491 1.00 0.00 N ATOM 264 CA SER A 19 6.739 4.352 -2.425 1.00 0.00 C ATOM 265 C SER A 19 7.665 3.412 -1.665 1.00 0.00 C ATOM 266 O SER A 19 7.745 2.218 -1.962 1.00 0.00 O ATOM 267 CB SER A 19 7.560 5.317 -3.282 1.00 0.00 C ATOM 268 OG SER A 19 8.368 6.156 -2.475 1.00 0.00 O ATOM 0 H SER A 19 5.948 6.106 -1.583 1.00 0.00 H new ATOM 0 HA SER A 19 6.097 3.763 -3.080 1.00 0.00 H new ATOM 0 HB2 SER A 19 8.190 4.752 -3.969 1.00 0.00 H new ATOM 0 HB3 SER A 19 6.892 5.926 -3.890 1.00 0.00 H new ATOM 0 HG SER A 19 8.997 6.648 -3.042 1.00 0.00 H new ATOM 274 N VAL A 20 8.352 3.960 -0.672 1.00 0.00 N ATOM 275 CA VAL A 20 9.260 3.178 0.146 1.00 0.00 C ATOM 276 C VAL A 20 8.494 2.091 0.895 1.00 0.00 C ATOM 277 O VAL A 20 9.008 0.994 1.105 1.00 0.00 O ATOM 278 CB VAL A 20 10.021 4.072 1.150 1.00 0.00 C ATOM 279 CG1 VAL A 20 10.747 3.232 2.193 1.00 0.00 C ATOM 280 CG2 VAL A 20 10.999 4.977 0.415 1.00 0.00 C ATOM 0 H VAL A 20 8.295 4.946 -0.415 1.00 0.00 H new ATOM 0 HA VAL A 20 9.989 2.712 -0.517 1.00 0.00 H new ATOM 0 HB VAL A 20 9.293 4.694 1.671 1.00 0.00 H new ATOM 0 HG11 VAL A 20 11.274 3.888 2.886 1.00 0.00 H new ATOM 0 HG12 VAL A 20 10.024 2.629 2.742 1.00 0.00 H new ATOM 0 HG13 VAL A 20 11.464 2.577 1.698 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.528 5.601 1.135 1.00 0.00 H new ATOM 0 HG22 VAL A 20 11.717 4.367 -0.134 1.00 0.00 H new ATOM 0 HG23 VAL A 20 10.453 5.611 -0.283 1.00 0.00 H new ATOM 290 N LEU A 21 7.262 2.401 1.289 1.00 0.00 N ATOM 291 CA LEU A 21 6.431 1.441 2.010 1.00 0.00 C ATOM 292 C LEU A 21 6.153 0.217 1.141 1.00 0.00 C ATOM 293 O LEU A 21 6.275 -0.919 1.597 1.00 0.00 O ATOM 294 CB LEU A 21 5.115 2.106 2.436 1.00 0.00 C ATOM 295 CG LEU A 21 3.983 1.150 2.830 1.00 0.00 C ATOM 296 CD1 LEU A 21 4.226 0.575 4.217 1.00 0.00 C ATOM 297 CD2 LEU A 21 2.638 1.866 2.772 1.00 0.00 C ATOM 0 H LEU A 21 6.819 3.304 1.122 1.00 0.00 H new ATOM 0 HA LEU A 21 6.965 1.113 2.902 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.319 2.765 3.280 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.766 2.735 1.617 1.00 0.00 H new ATOM 0 HG LEU A 21 3.965 0.325 2.118 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.412 -0.101 4.478 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.169 0.028 4.224 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.272 1.386 4.944 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.845 1.174 3.054 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.645 2.710 3.461 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.461 2.227 1.759 1.00 0.00 H new ATOM 309 N LEU A 22 5.783 0.457 -0.114 1.00 0.00 N ATOM 310 CA LEU A 22 5.497 -0.633 -1.041 1.00 0.00 C ATOM 311 C LEU A 22 6.755 -1.454 -1.287 1.00 0.00 C ATOM 312 O LEU A 22 6.697 -2.677 -1.418 1.00 0.00 O ATOM 313 CB LEU A 22 4.955 -0.092 -2.370 1.00 0.00 C ATOM 314 CG LEU A 22 4.014 1.109 -2.253 1.00 0.00 C ATOM 315 CD1 LEU A 22 3.399 1.444 -3.604 1.00 0.00 C ATOM 316 CD2 LEU A 22 2.929 0.843 -1.218 1.00 0.00 C ATOM 0 H LEU A 22 5.675 1.391 -0.510 1.00 0.00 H new ATOM 0 HA LEU A 22 4.735 -1.271 -0.594 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.799 0.189 -3.000 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.428 -0.897 -2.883 1.00 0.00 H new ATOM 0 HG LEU A 22 4.597 1.968 -1.922 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.733 2.301 -3.498 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.190 1.684 -4.314 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.832 0.587 -3.968 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.271 1.709 -1.150 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.349 -0.031 -1.515 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.389 0.660 -0.247 1.00 0.00 H new ATOM 328 N ASN A 23 7.891 -0.768 -1.350 1.00 0.00 N ATOM 329 CA ASN A 23 9.171 -1.426 -1.585 1.00 0.00 C ATOM 330 C ASN A 23 9.760 -2.002 -0.295 1.00 0.00 C ATOM 331 O ASN A 23 10.663 -2.837 -0.344 1.00 0.00 O ATOM 332 CB ASN A 23 10.160 -0.441 -2.211 1.00 0.00 C ATOM 333 CG ASN A 23 10.916 -1.042 -3.382 1.00 0.00 C ATOM 334 OD1 ASN A 23 11.567 -2.078 -3.250 1.00 0.00 O ATOM 335 ND2 ASN A 23 10.832 -0.389 -4.535 1.00 0.00 N ATOM 0 H ASN A 23 7.951 0.244 -1.241 1.00 0.00 H new ATOM 0 HA ASN A 23 8.994 -2.255 -2.271 1.00 0.00 H new ATOM 0 HB2 ASN A 23 9.622 0.445 -2.547 1.00 0.00 H new ATOM 0 HB3 ASN A 23 10.871 -0.114 -1.453 1.00 0.00 H new ATOM 0 HD21 ASN A 23 11.319 -0.743 -5.358 1.00 0.00 H new ATOM 0 HD22 ASN A 23 10.280 0.467 -4.598 1.00 0.00 H new ATOM 342 N GLN A 24 9.269 -1.546 0.857 1.00 0.00 N ATOM 343 CA GLN A 24 9.787 -2.027 2.137 1.00 0.00 C ATOM 344 C GLN A 24 8.817 -2.963 2.854 1.00 0.00 C ATOM 345 O GLN A 24 9.158 -3.513 3.901 1.00 0.00 O ATOM 346 CB GLN A 24 10.147 -0.856 3.054 1.00 0.00 C ATOM 347 CG GLN A 24 11.558 -0.330 2.840 1.00 0.00 C ATOM 348 CD GLN A 24 12.159 0.258 4.101 1.00 0.00 C ATOM 349 OE1 GLN A 24 11.530 1.305 4.625 1.00 0.00 O flip ATOM 350 NE2 GLN A 24 13.176 -0.223 4.601 1.00 0.00 N flip ATOM 0 H GLN A 24 8.524 -0.854 0.931 1.00 0.00 H new ATOM 0 HA GLN A 24 10.685 -2.600 1.907 1.00 0.00 H new ATOM 0 HB2 GLN A 24 9.437 -0.045 2.891 1.00 0.00 H new ATOM 0 HB3 GLN A 24 10.039 -1.171 4.092 1.00 0.00 H new ATOM 0 HG2 GLN A 24 12.193 -1.140 2.483 1.00 0.00 H new ATOM 0 HG3 GLN A 24 11.544 0.431 2.060 1.00 0.00 H new ATOM 0 HE21 GLN A 24 13.627 -1.028 4.165 1.00 0.00 H new ATOM 0 HE22 GLN A 24 13.568 0.183 5.451 1.00 0.00 H new ATOM 359 N GLN A 25 7.623 -3.173 2.291 1.00 0.00 N ATOM 360 CA GLN A 25 6.657 -4.085 2.910 1.00 0.00 C ATOM 361 C GLN A 25 7.381 -5.373 3.290 1.00 0.00 C ATOM 362 O GLN A 25 8.459 -5.643 2.757 1.00 0.00 O ATOM 363 CB GLN A 25 5.504 -4.386 1.949 1.00 0.00 C ATOM 364 CG GLN A 25 4.275 -3.524 2.183 1.00 0.00 C ATOM 365 CD GLN A 25 3.786 -3.584 3.616 1.00 0.00 C ATOM 366 OE1 GLN A 25 4.199 -2.787 4.460 1.00 0.00 O ATOM 367 NE2 GLN A 25 2.903 -4.534 3.902 1.00 0.00 N ATOM 0 H GLN A 25 7.307 -2.734 1.426 1.00 0.00 H new ATOM 0 HA GLN A 25 6.234 -3.620 3.800 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.849 -4.242 0.925 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.225 -5.435 2.047 1.00 0.00 H new ATOM 0 HG2 GLN A 25 4.506 -2.491 1.925 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.476 -3.848 1.516 1.00 0.00 H new ATOM 0 HE21 GLN A 25 2.588 -5.173 3.173 1.00 0.00 H new ATOM 0 HE22 GLN A 25 2.540 -4.624 4.851 1.00 0.00 H new ATOM 376 N VAL A 26 6.834 -6.170 4.202 1.00 0.00 N ATOM 377 CA VAL A 26 7.507 -7.398 4.603 1.00 0.00 C ATOM 378 C VAL A 26 6.845 -8.627 3.997 1.00 0.00 C ATOM 379 O VAL A 26 5.634 -8.820 4.117 1.00 0.00 O ATOM 380 CB VAL A 26 7.528 -7.550 6.135 1.00 0.00 C ATOM 381 CG1 VAL A 26 8.418 -8.714 6.545 1.00 0.00 C ATOM 382 CG2 VAL A 26 7.985 -6.259 6.798 1.00 0.00 C ATOM 0 H VAL A 26 5.945 -5.993 4.669 1.00 0.00 H new ATOM 0 HA VAL A 26 8.529 -7.325 4.231 1.00 0.00 H new ATOM 0 HB VAL A 26 6.513 -7.762 6.472 1.00 0.00 H new ATOM 0 HG11 VAL A 26 8.420 -8.805 7.631 1.00 0.00 H new ATOM 0 HG12 VAL A 26 8.038 -9.636 6.104 1.00 0.00 H new ATOM 0 HG13 VAL A 26 9.434 -8.536 6.194 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.992 -6.389 7.880 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.989 -6.010 6.455 1.00 0.00 H new ATOM 0 HG23 VAL A 26 7.301 -5.452 6.534 1.00 0.00 H new ATOM 392 N PHE A 27 7.654 -9.462 3.360 1.00 0.00 N ATOM 393 CA PHE A 27 7.166 -10.687 2.744 1.00 0.00 C ATOM 394 C PHE A 27 7.501 -11.877 3.627 1.00 0.00 C ATOM 395 O PHE A 27 8.663 -12.135 3.944 1.00 0.00 O ATOM 396 CB PHE A 27 7.751 -10.834 1.338 1.00 0.00 C ATOM 397 CG PHE A 27 7.486 -9.630 0.471 1.00 0.00 C ATOM 398 CD1 PHE A 27 8.193 -8.450 0.664 1.00 0.00 C ATOM 399 CD2 PHE A 27 6.518 -9.668 -0.524 1.00 0.00 C ATOM 400 CE1 PHE A 27 7.941 -7.340 -0.120 1.00 0.00 C ATOM 401 CE2 PHE A 27 6.264 -8.559 -1.307 1.00 0.00 C ATOM 402 CZ PHE A 27 6.976 -7.395 -1.105 1.00 0.00 C ATOM 0 H PHE A 27 8.657 -9.311 3.256 1.00 0.00 H new ATOM 0 HA PHE A 27 6.081 -10.643 2.645 1.00 0.00 H new ATOM 0 HB2 PHE A 27 8.827 -10.995 1.411 1.00 0.00 H new ATOM 0 HB3 PHE A 27 7.328 -11.719 0.863 1.00 0.00 H new ATOM 0 HD1 PHE A 27 8.948 -8.399 1.435 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.957 -10.576 -0.688 1.00 0.00 H new ATOM 0 HE1 PHE A 27 8.499 -6.429 0.038 1.00 0.00 H new ATOM 0 HE2 PHE A 27 5.508 -8.603 -2.077 1.00 0.00 H new ATOM 0 HZ PHE A 27 6.778 -6.527 -1.717 1.00 0.00 H new ATOM 452 N LEU A 31 2.201 -15.850 4.212 1.00 0.00 N ATOM 453 CA LEU A 31 1.746 -14.599 3.610 1.00 0.00 C ATOM 454 C LEU A 31 0.317 -14.259 4.015 1.00 0.00 C ATOM 455 O LEU A 31 -0.529 -15.138 4.178 1.00 0.00 O ATOM 456 CB LEU A 31 1.865 -14.670 2.087 1.00 0.00 C ATOM 457 CG LEU A 31 3.207 -15.203 1.578 1.00 0.00 C ATOM 458 CD1 LEU A 31 3.013 -16.474 0.767 1.00 0.00 C ATOM 459 CD2 LEU A 31 3.925 -14.146 0.755 1.00 0.00 C ATOM 0 HA LEU A 31 2.389 -13.802 3.983 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.067 -15.305 1.702 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.705 -13.673 1.676 1.00 0.00 H new ATOM 0 HG LEU A 31 3.826 -15.444 2.442 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.981 -16.833 0.416 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.547 -17.237 1.391 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.372 -16.265 -0.089 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.877 -14.544 0.402 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.308 -13.869 -0.100 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.106 -13.266 1.372 1.00 0.00 H new ATOM 471 N VAL A 32 0.069 -12.963 4.174 1.00 0.00 N ATOM 472 CA VAL A 32 -1.241 -12.459 4.560 1.00 0.00 C ATOM 473 C VAL A 32 -2.204 -12.471 3.375 1.00 0.00 C ATOM 474 O VAL A 32 -1.776 -12.494 2.221 1.00 0.00 O ATOM 475 CB VAL A 32 -1.131 -11.029 5.122 1.00 0.00 C ATOM 476 CG1 VAL A 32 -0.584 -10.077 4.068 1.00 0.00 C ATOM 477 CG2 VAL A 32 -2.477 -10.550 5.634 1.00 0.00 C ATOM 0 H VAL A 32 0.770 -12.235 4.039 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.632 -13.118 5.336 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.434 -11.044 5.960 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -0.514 -9.073 4.486 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.406 -10.410 3.756 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -1.251 -10.066 3.206 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.378 -9.538 6.027 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.199 -10.553 4.817 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.822 -11.214 6.426 1.00 0.00 H new ATOM 487 N SER A 33 -3.504 -12.486 3.662 1.00 0.00 N ATOM 488 CA SER A 33 -4.514 -12.533 2.608 1.00 0.00 C ATOM 489 C SER A 33 -4.746 -11.163 1.981 1.00 0.00 C ATOM 490 O SER A 33 -4.228 -10.150 2.450 1.00 0.00 O ATOM 491 CB SER A 33 -5.830 -13.079 3.164 1.00 0.00 C ATOM 492 OG SER A 33 -6.081 -12.578 4.465 1.00 0.00 O ATOM 0 H SER A 33 -3.881 -12.466 4.610 1.00 0.00 H new ATOM 0 HA SER A 33 -4.142 -13.197 1.828 1.00 0.00 H new ATOM 0 HB2 SER A 33 -6.650 -12.804 2.501 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.793 -14.168 3.191 1.00 0.00 H new ATOM 0 HG SER A 33 -6.929 -12.941 4.797 1.00 0.00 H new ATOM 498 N GLU A 34 -5.511 -11.158 0.893 1.00 0.00 N ATOM 499 CA GLU A 34 -5.806 -9.933 0.157 1.00 0.00 C ATOM 500 C GLU A 34 -6.704 -8.990 0.949 1.00 0.00 C ATOM 501 O GLU A 34 -6.567 -7.772 0.853 1.00 0.00 O ATOM 502 CB GLU A 34 -6.465 -10.262 -1.187 1.00 0.00 C ATOM 503 CG GLU A 34 -5.960 -11.548 -1.826 1.00 0.00 C ATOM 504 CD GLU A 34 -5.743 -11.412 -3.320 1.00 0.00 C ATOM 505 OE1 GLU A 34 -5.358 -10.311 -3.767 1.00 0.00 O ATOM 506 OE2 GLU A 34 -5.955 -12.408 -4.044 1.00 0.00 O ATOM 0 H GLU A 34 -5.940 -11.995 0.500 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.856 -9.427 -0.014 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -7.543 -10.339 -1.042 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.294 -9.435 -1.876 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.023 -11.841 -1.352 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.676 -12.348 -1.638 1.00 0.00 H new ATOM 513 N GLU A 35 -7.620 -9.547 1.732 1.00 0.00 N ATOM 514 CA GLU A 35 -8.530 -8.732 2.529 1.00 0.00 C ATOM 515 C GLU A 35 -7.767 -7.963 3.600 1.00 0.00 C ATOM 516 O GLU A 35 -8.111 -6.825 3.929 1.00 0.00 O ATOM 517 CB GLU A 35 -9.601 -9.610 3.178 1.00 0.00 C ATOM 518 CG GLU A 35 -9.042 -10.839 3.877 1.00 0.00 C ATOM 519 CD GLU A 35 -9.364 -10.866 5.359 1.00 0.00 C ATOM 520 OE1 GLU A 35 -8.858 -9.991 6.093 1.00 0.00 O ATOM 521 OE2 GLU A 35 -10.120 -11.764 5.784 1.00 0.00 O ATOM 0 H GLU A 35 -7.753 -10.553 1.832 1.00 0.00 H new ATOM 0 HA GLU A 35 -9.014 -8.015 1.866 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.158 -9.014 3.901 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -10.310 -9.928 2.413 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.445 -11.735 3.405 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.961 -10.868 3.744 1.00 0.00 H new ATOM 528 N ASP A 36 -6.721 -8.584 4.130 1.00 0.00 N ATOM 529 CA ASP A 36 -5.909 -7.944 5.153 1.00 0.00 C ATOM 530 C ASP A 36 -5.077 -6.826 4.538 1.00 0.00 C ATOM 531 O ASP A 36 -4.964 -5.740 5.106 1.00 0.00 O ATOM 532 CB ASP A 36 -5.008 -8.967 5.844 1.00 0.00 C ATOM 533 CG ASP A 36 -5.466 -9.281 7.255 1.00 0.00 C ATOM 534 OD1 ASP A 36 -5.210 -8.458 8.159 1.00 0.00 O ATOM 535 OD2 ASP A 36 -6.080 -10.350 7.456 1.00 0.00 O ATOM 0 H ASP A 36 -6.418 -9.523 3.870 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.571 -7.513 5.904 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.990 -9.886 5.258 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.987 -8.587 5.872 1.00 0.00 H new ATOM 540 N MET A 37 -4.513 -7.090 3.363 1.00 0.00 N ATOM 541 CA MET A 37 -3.716 -6.090 2.669 1.00 0.00 C ATOM 542 C MET A 37 -4.603 -4.922 2.266 1.00 0.00 C ATOM 543 O MET A 37 -4.231 -3.759 2.427 1.00 0.00 O ATOM 544 CB MET A 37 -3.038 -6.689 1.434 1.00 0.00 C ATOM 545 CG MET A 37 -2.042 -5.748 0.770 1.00 0.00 C ATOM 546 SD MET A 37 -0.788 -5.140 1.915 1.00 0.00 S ATOM 547 CE MET A 37 0.638 -6.092 1.396 1.00 0.00 C ATOM 0 H MET A 37 -4.594 -7.983 2.876 1.00 0.00 H new ATOM 0 HA MET A 37 -2.936 -5.738 3.343 1.00 0.00 H new ATOM 0 HB2 MET A 37 -2.523 -7.606 1.721 1.00 0.00 H new ATOM 0 HB3 MET A 37 -3.803 -6.966 0.708 1.00 0.00 H new ATOM 0 HG2 MET A 37 -1.554 -6.266 -0.055 1.00 0.00 H new ATOM 0 HG3 MET A 37 -2.578 -4.901 0.342 1.00 0.00 H new ATOM 0 HE1 MET A 37 1.540 -5.491 1.516 1.00 0.00 H new ATOM 0 HE2 MET A 37 0.717 -6.991 2.007 1.00 0.00 H new ATOM 0 HE3 MET A 37 0.526 -6.373 0.349 1.00 0.00 H new ATOM 557 N VAL A 38 -5.790 -5.242 1.752 1.00 0.00 N ATOM 558 CA VAL A 38 -6.741 -4.219 1.340 1.00 0.00 C ATOM 559 C VAL A 38 -7.040 -3.277 2.500 1.00 0.00 C ATOM 560 O VAL A 38 -6.999 -2.057 2.343 1.00 0.00 O ATOM 561 CB VAL A 38 -8.060 -4.840 0.830 1.00 0.00 C ATOM 562 CG1 VAL A 38 -9.079 -3.758 0.503 1.00 0.00 C ATOM 563 CG2 VAL A 38 -7.801 -5.717 -0.386 1.00 0.00 C ATOM 0 H VAL A 38 -6.112 -6.200 1.613 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.286 -3.661 0.522 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.472 -5.463 1.624 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -9.999 -4.221 0.146 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -9.290 -3.174 1.399 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -8.678 -3.103 -0.271 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -8.741 -6.146 -0.732 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -7.362 -5.115 -1.182 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.113 -6.519 -0.117 1.00 0.00 H new ATOM 573 N THR A 39 -7.330 -3.845 3.671 1.00 0.00 N ATOM 574 CA THR A 39 -7.620 -3.037 4.849 1.00 0.00 C ATOM 575 C THR A 39 -6.433 -2.139 5.182 1.00 0.00 C ATOM 576 O THR A 39 -6.595 -0.946 5.431 1.00 0.00 O ATOM 577 CB THR A 39 -7.953 -3.933 6.046 1.00 0.00 C ATOM 578 OG1 THR A 39 -7.569 -5.273 5.795 1.00 0.00 O ATOM 579 CG2 THR A 39 -9.424 -3.934 6.399 1.00 0.00 C ATOM 0 H THR A 39 -7.369 -4.852 3.826 1.00 0.00 H new ATOM 0 HA THR A 39 -8.485 -2.410 4.631 1.00 0.00 H new ATOM 0 HB THR A 39 -7.394 -3.515 6.883 1.00 0.00 H new ATOM 0 HG1 THR A 39 -8.270 -5.723 5.279 1.00 0.00 H new ATOM 0 HG21 THR A 39 -9.592 -4.588 7.255 1.00 0.00 H new ATOM 0 HG22 THR A 39 -9.739 -2.921 6.649 1.00 0.00 H new ATOM 0 HG23 THR A 39 -10.002 -4.294 5.548 1.00 0.00 H new ATOM 587 N VAL A 40 -5.237 -2.723 5.177 1.00 0.00 N ATOM 588 CA VAL A 40 -4.019 -1.977 5.471 1.00 0.00 C ATOM 589 C VAL A 40 -3.867 -0.792 4.524 1.00 0.00 C ATOM 590 O VAL A 40 -3.555 0.321 4.950 1.00 0.00 O ATOM 591 CB VAL A 40 -2.771 -2.872 5.361 1.00 0.00 C ATOM 592 CG1 VAL A 40 -1.533 -2.128 5.839 1.00 0.00 C ATOM 593 CG2 VAL A 40 -2.965 -4.162 6.146 1.00 0.00 C ATOM 0 H VAL A 40 -5.087 -3.711 4.972 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.105 -1.615 6.496 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.626 -3.132 4.312 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.662 -2.778 5.753 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.384 -1.239 5.227 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.665 -1.834 6.880 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.072 -4.781 6.056 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.138 -3.926 7.196 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.824 -4.704 5.749 1.00 0.00 H new ATOM 603 N VAL A 41 -4.093 -1.038 3.237 1.00 0.00 N ATOM 604 CA VAL A 41 -3.986 0.010 2.231 1.00 0.00 C ATOM 605 C VAL A 41 -5.074 1.059 2.425 1.00 0.00 C ATOM 606 O VAL A 41 -4.810 2.260 2.376 1.00 0.00 O ATOM 607 CB VAL A 41 -4.086 -0.565 0.804 1.00 0.00 C ATOM 608 CG1 VAL A 41 -3.847 0.525 -0.232 1.00 0.00 C ATOM 609 CG2 VAL A 41 -3.100 -1.709 0.619 1.00 0.00 C ATOM 0 H VAL A 41 -4.351 -1.953 2.868 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.007 0.474 2.355 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.094 -0.955 0.661 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.922 0.099 -1.232 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.595 1.309 -0.115 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.853 0.949 -0.092 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.185 -2.102 -0.394 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.086 -1.345 0.783 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.322 -2.500 1.335 1.00 0.00 H new ATOM 619 N GLU A 42 -6.300 0.596 2.655 1.00 0.00 N ATOM 620 CA GLU A 42 -7.429 1.495 2.866 1.00 0.00 C ATOM 621 C GLU A 42 -7.170 2.402 4.064 1.00 0.00 C ATOM 622 O GLU A 42 -7.293 3.623 3.970 1.00 0.00 O ATOM 623 CB GLU A 42 -8.716 0.694 3.076 1.00 0.00 C ATOM 624 CG GLU A 42 -9.703 0.821 1.926 1.00 0.00 C ATOM 625 CD GLU A 42 -10.123 -0.523 1.365 1.00 0.00 C ATOM 626 OE1 GLU A 42 -10.807 -1.280 2.084 1.00 0.00 O ATOM 627 OE2 GLU A 42 -9.767 -0.819 0.205 1.00 0.00 O ATOM 0 H GLU A 42 -6.536 -0.395 2.700 1.00 0.00 H new ATOM 0 HA GLU A 42 -7.546 2.117 1.978 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -8.462 -0.357 3.212 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -9.197 1.028 3.996 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -10.587 1.359 2.269 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -9.254 1.418 1.132 1.00 0.00 H new ATOM 634 N ASP A 43 -6.800 1.796 5.188 1.00 0.00 N ATOM 635 CA ASP A 43 -6.511 2.550 6.402 1.00 0.00 C ATOM 636 C ASP A 43 -5.365 3.524 6.155 1.00 0.00 C ATOM 637 O ASP A 43 -5.421 4.682 6.562 1.00 0.00 O ATOM 638 CB ASP A 43 -6.160 1.599 7.549 1.00 0.00 C ATOM 639 CG ASP A 43 -7.023 1.829 8.775 1.00 0.00 C ATOM 640 OD1 ASP A 43 -6.708 2.750 9.558 1.00 0.00 O ATOM 641 OD2 ASP A 43 -8.013 1.089 8.952 1.00 0.00 O ATOM 0 H ASP A 43 -6.693 0.786 5.283 1.00 0.00 H new ATOM 0 HA ASP A 43 -7.400 3.117 6.680 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -6.278 0.569 7.213 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -5.111 1.728 7.817 1.00 0.00 H new ATOM 646 N TRP A 44 -4.333 3.041 5.469 1.00 0.00 N ATOM 647 CA TRP A 44 -3.171 3.861 5.146 1.00 0.00 C ATOM 648 C TRP A 44 -3.585 5.053 4.290 1.00 0.00 C ATOM 649 O TRP A 44 -3.092 6.168 4.470 1.00 0.00 O ATOM 650 CB TRP A 44 -2.141 3.032 4.370 1.00 0.00 C ATOM 651 CG TRP A 44 -1.170 2.277 5.228 1.00 0.00 C ATOM 652 CD1 TRP A 44 -0.924 2.457 6.559 1.00 0.00 C ATOM 653 CD2 TRP A 44 -0.303 1.222 4.798 1.00 0.00 C ATOM 654 NE1 TRP A 44 0.044 1.575 6.982 1.00 0.00 N ATOM 655 CE2 TRP A 44 0.440 0.805 5.917 1.00 0.00 C ATOM 656 CE3 TRP A 44 -0.086 0.588 3.571 1.00 0.00 C ATOM 657 CZ2 TRP A 44 1.386 -0.219 5.845 1.00 0.00 C ATOM 658 CZ3 TRP A 44 0.850 -0.426 3.500 1.00 0.00 C ATOM 659 CH2 TRP A 44 1.576 -0.820 4.630 1.00 0.00 C ATOM 0 H TRP A 44 -4.279 2.082 5.125 1.00 0.00 H new ATOM 0 HA TRP A 44 -2.734 4.215 6.079 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.670 2.323 3.734 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -1.582 3.696 3.711 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.417 3.184 7.187 1.00 0.00 H new ATOM 0 HE1 TRP A 44 0.408 1.505 7.932 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -0.641 0.886 2.693 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 1.947 -0.526 6.715 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 1.024 -0.923 2.557 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.301 -1.615 4.541 1.00 0.00 H new ATOM 670 N MET A 45 -4.480 4.796 3.342 1.00 0.00 N ATOM 671 CA MET A 45 -4.953 5.826 2.424 1.00 0.00 C ATOM 672 C MET A 45 -5.794 6.887 3.127 1.00 0.00 C ATOM 673 O MET A 45 -5.616 8.080 2.881 1.00 0.00 O ATOM 674 CB MET A 45 -5.757 5.186 1.289 1.00 0.00 C ATOM 675 CG MET A 45 -6.316 6.189 0.293 1.00 0.00 C ATOM 676 SD MET A 45 -5.867 5.806 -1.411 1.00 0.00 S ATOM 677 CE MET A 45 -6.828 4.320 -1.690 1.00 0.00 C ATOM 0 H MET A 45 -4.895 3.877 3.189 1.00 0.00 H new ATOM 0 HA MET A 45 -4.075 6.327 2.017 1.00 0.00 H new ATOM 0 HB2 MET A 45 -5.120 4.478 0.759 1.00 0.00 H new ATOM 0 HB3 MET A 45 -6.581 4.615 1.717 1.00 0.00 H new ATOM 0 HG2 MET A 45 -7.402 6.215 0.381 1.00 0.00 H new ATOM 0 HG3 MET A 45 -5.952 7.185 0.545 1.00 0.00 H new ATOM 0 HE1 MET A 45 -6.656 3.961 -2.705 1.00 0.00 H new ATOM 0 HE2 MET A 45 -6.526 3.552 -0.977 1.00 0.00 H new ATOM 0 HE3 MET A 45 -7.887 4.542 -1.558 1.00 0.00 H new ATOM 687 N ASN A 46 -6.704 6.470 4.004 1.00 0.00 N ATOM 688 CA ASN A 46 -7.543 7.421 4.721 1.00 0.00 C ATOM 689 C ASN A 46 -6.712 8.182 5.741 1.00 0.00 C ATOM 690 O ASN A 46 -6.875 9.389 5.916 1.00 0.00 O ATOM 691 CB ASN A 46 -8.698 6.699 5.416 1.00 0.00 C ATOM 692 CG ASN A 46 -9.983 6.759 4.613 1.00 0.00 C ATOM 693 OD1 ASN A 46 -10.740 7.726 4.702 1.00 0.00 O ATOM 694 ND2 ASN A 46 -10.235 5.723 3.823 1.00 0.00 N ATOM 0 H ASN A 46 -6.877 5.491 4.232 1.00 0.00 H new ATOM 0 HA ASN A 46 -7.959 8.128 4.003 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -8.425 5.657 5.582 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -8.864 7.145 6.397 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -11.084 5.707 3.258 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -9.579 4.943 3.780 1.00 0.00 H new ATOM 701 N PHE A 47 -5.804 7.469 6.401 1.00 0.00 N ATOM 702 CA PHE A 47 -4.933 8.086 7.389 1.00 0.00 C ATOM 703 C PHE A 47 -4.115 9.190 6.730 1.00 0.00 C ATOM 704 O PHE A 47 -3.929 10.263 7.301 1.00 0.00 O ATOM 705 CB PHE A 47 -4.008 7.035 8.025 1.00 0.00 C ATOM 706 CG PHE A 47 -2.548 7.409 8.009 1.00 0.00 C ATOM 707 CD1 PHE A 47 -2.058 8.375 8.874 1.00 0.00 C ATOM 708 CD2 PHE A 47 -1.674 6.802 7.123 1.00 0.00 C ATOM 709 CE1 PHE A 47 -0.721 8.726 8.855 1.00 0.00 C ATOM 710 CE2 PHE A 47 -0.337 7.151 7.097 1.00 0.00 C ATOM 711 CZ PHE A 47 0.140 8.115 7.965 1.00 0.00 C ATOM 0 H PHE A 47 -5.655 6.469 6.269 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.544 8.520 8.180 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -4.318 6.870 9.057 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -4.135 6.089 7.499 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -2.728 8.858 9.570 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -2.042 6.047 6.444 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -0.350 9.478 9.536 1.00 0.00 H new ATOM 0 HE2 PHE A 47 0.334 6.671 6.400 1.00 0.00 H new ATOM 0 HZ PHE A 47 1.184 8.390 7.947 1.00 0.00 H new ATOM 721 N TYR A 48 -3.632 8.916 5.521 1.00 0.00 N ATOM 722 CA TYR A 48 -2.835 9.887 4.786 1.00 0.00 C ATOM 723 C TYR A 48 -3.667 11.111 4.432 1.00 0.00 C ATOM 724 O TYR A 48 -3.238 12.244 4.634 1.00 0.00 O ATOM 725 CB TYR A 48 -2.273 9.252 3.514 1.00 0.00 C ATOM 726 CG TYR A 48 -0.926 8.594 3.706 1.00 0.00 C ATOM 727 CD1 TYR A 48 0.111 9.261 4.345 1.00 0.00 C ATOM 728 CD2 TYR A 48 -0.691 7.305 3.245 1.00 0.00 C ATOM 729 CE1 TYR A 48 1.345 8.661 4.521 1.00 0.00 C ATOM 730 CE2 TYR A 48 0.539 6.698 3.416 1.00 0.00 C ATOM 731 CZ TYR A 48 1.552 7.380 4.056 1.00 0.00 C ATOM 732 OH TYR A 48 2.778 6.780 4.228 1.00 0.00 O ATOM 0 H TYR A 48 -3.779 8.032 5.033 1.00 0.00 H new ATOM 0 HA TYR A 48 -2.009 10.203 5.422 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -2.981 8.509 3.146 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -2.186 10.018 2.744 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -0.049 10.265 4.711 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -1.483 6.768 2.744 1.00 0.00 H new ATOM 0 HE1 TYR A 48 2.142 9.193 5.020 1.00 0.00 H new ATOM 0 HE2 TYR A 48 0.706 5.695 3.050 1.00 0.00 H new ATOM 0 HH TYR A 48 2.758 5.878 3.845 1.00 0.00 H new ATOM 742 N ILE A 49 -4.856 10.876 3.892 1.00 0.00 N ATOM 743 CA ILE A 49 -5.744 11.962 3.496 1.00 0.00 C ATOM 744 C ILE A 49 -5.992 12.925 4.663 1.00 0.00 C ATOM 745 O ILE A 49 -5.760 14.131 4.545 1.00 0.00 O ATOM 746 CB ILE A 49 -7.086 11.394 2.962 1.00 0.00 C ATOM 747 CG1 ILE A 49 -7.054 11.311 1.434 1.00 0.00 C ATOM 748 CG2 ILE A 49 -8.278 12.222 3.426 1.00 0.00 C ATOM 749 CD1 ILE A 49 -6.767 12.634 0.757 1.00 0.00 C ATOM 0 H ILE A 49 -5.228 9.942 3.718 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.260 12.523 2.696 1.00 0.00 H new ATOM 0 HB ILE A 49 -7.207 10.391 3.372 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -6.295 10.588 1.134 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -8.013 10.932 1.080 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -9.197 11.790 3.030 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -8.318 12.224 4.515 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -8.173 13.245 3.065 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -6.760 12.496 -0.324 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -7.539 13.355 1.026 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -5.795 13.005 1.081 1.00 0.00 H new ATOM 761 N ASN A 50 -6.455 12.391 5.787 1.00 0.00 N ATOM 762 CA ASN A 50 -6.726 13.210 6.966 1.00 0.00 C ATOM 763 C ASN A 50 -5.430 13.741 7.576 1.00 0.00 C ATOM 764 O ASN A 50 -5.381 14.867 8.070 1.00 0.00 O ATOM 765 CB ASN A 50 -7.499 12.399 8.008 1.00 0.00 C ATOM 766 CG ASN A 50 -8.917 12.095 7.570 1.00 0.00 C ATOM 767 OD1 ASN A 50 -9.737 12.999 7.408 1.00 0.00 O ATOM 768 ND2 ASN A 50 -9.215 10.816 7.374 1.00 0.00 N ATOM 0 H ASN A 50 -6.651 11.397 5.909 1.00 0.00 H new ATOM 0 HA ASN A 50 -7.331 14.061 6.653 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -6.973 11.464 8.200 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.523 12.950 8.948 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -10.154 10.551 7.077 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -8.505 10.099 7.520 1.00 0.00 H new ATOM 775 N TYR A 51 -4.388 12.918 7.543 1.00 0.00 N ATOM 776 CA TYR A 51 -3.089 13.291 8.096 1.00 0.00 C ATOM 777 C TYR A 51 -2.496 14.483 7.351 1.00 0.00 C ATOM 778 O TYR A 51 -1.931 15.393 7.959 1.00 0.00 O ATOM 779 CB TYR A 51 -2.143 12.091 8.016 1.00 0.00 C ATOM 780 CG TYR A 51 -0.695 12.407 8.320 1.00 0.00 C ATOM 781 CD1 TYR A 51 -0.349 13.275 9.347 1.00 0.00 C ATOM 782 CD2 TYR A 51 0.325 11.827 7.577 1.00 0.00 C ATOM 783 CE1 TYR A 51 0.976 13.556 9.623 1.00 0.00 C ATOM 784 CE2 TYR A 51 1.649 12.102 7.848 1.00 0.00 C ATOM 785 CZ TYR A 51 1.971 12.968 8.872 1.00 0.00 C ATOM 786 OH TYR A 51 3.291 13.244 9.146 1.00 0.00 O ATOM 0 H TYR A 51 -4.417 11.983 7.137 1.00 0.00 H new ATOM 0 HA TYR A 51 -3.222 13.584 9.138 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.488 11.327 8.712 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -2.205 11.663 7.016 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.126 13.737 9.938 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.077 11.149 6.773 1.00 0.00 H new ATOM 0 HE1 TYR A 51 1.231 14.234 10.424 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.430 11.641 7.261 1.00 0.00 H new ATOM 0 HH TYR A 51 3.865 12.748 8.526 1.00 0.00 H new ATOM 796 N TYR A 52 -2.622 14.463 6.033 1.00 0.00 N ATOM 797 CA TYR A 52 -2.097 15.530 5.190 1.00 0.00 C ATOM 798 C TYR A 52 -2.966 16.774 5.259 1.00 0.00 C ATOM 799 O TYR A 52 -2.459 17.888 5.190 1.00 0.00 O ATOM 800 CB TYR A 52 -2.001 15.054 3.744 1.00 0.00 C ATOM 801 CG TYR A 52 -0.966 13.980 3.550 1.00 0.00 C ATOM 802 CD1 TYR A 52 0.317 14.145 4.043 1.00 0.00 C ATOM 803 CD2 TYR A 52 -1.272 12.803 2.886 1.00 0.00 C ATOM 804 CE1 TYR A 52 1.272 13.164 3.887 1.00 0.00 C ATOM 805 CE2 TYR A 52 -0.325 11.815 2.721 1.00 0.00 C ATOM 806 CZ TYR A 52 0.946 11.998 3.224 1.00 0.00 C ATOM 807 OH TYR A 52 1.885 11.008 3.076 1.00 0.00 O ATOM 0 H TYR A 52 -3.087 13.714 5.519 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.105 15.787 5.560 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.973 14.677 3.425 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.762 15.902 3.102 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.574 15.058 4.559 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.267 12.658 2.492 1.00 0.00 H new ATOM 0 HE1 TYR A 52 2.268 13.306 4.280 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -0.577 10.903 2.201 1.00 0.00 H new ATOM 0 HH TYR A 52 1.458 10.133 3.189 1.00 0.00 H new ATOM 817 N ARG A 53 -4.274 16.588 5.413 1.00 0.00 N ATOM 818 CA ARG A 53 -5.192 17.719 5.500 1.00 0.00 C ATOM 819 C ARG A 53 -4.815 18.626 6.663 1.00 0.00 C ATOM 820 O ARG A 53 -5.017 19.839 6.615 1.00 0.00 O ATOM 821 CB ARG A 53 -6.628 17.220 5.670 1.00 0.00 C ATOM 822 CG ARG A 53 -7.655 18.336 5.764 1.00 0.00 C ATOM 823 CD ARG A 53 -9.054 17.836 5.444 1.00 0.00 C ATOM 824 NE ARG A 53 -9.556 18.377 4.182 1.00 0.00 N ATOM 825 CZ ARG A 53 -10.084 19.593 4.055 1.00 0.00 C ATOM 826 NH1 ARG A 53 -10.182 20.397 5.106 1.00 0.00 N ATOM 827 NH2 ARG A 53 -10.517 20.005 2.871 1.00 0.00 N ATOM 0 H ARG A 53 -4.719 15.673 5.480 1.00 0.00 H new ATOM 0 HA ARG A 53 -5.122 18.292 4.575 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.881 16.575 4.829 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.686 16.608 6.570 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -7.640 18.761 6.768 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.387 19.137 5.075 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -9.047 16.747 5.394 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -9.731 18.113 6.252 1.00 0.00 H new ATOM 0 HE ARG A 53 -9.499 17.789 3.351 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -9.852 20.085 6.019 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -10.588 21.327 5.001 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -10.445 19.391 2.060 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -10.922 20.936 2.772 1.00 0.00 H new ATOM 841 N GLN A 54 -4.266 18.023 7.709 1.00 0.00 N ATOM 842 CA GLN A 54 -3.857 18.761 8.895 1.00 0.00 C ATOM 843 C GLN A 54 -2.346 19.000 8.904 1.00 0.00 C ATOM 844 O GLN A 54 -1.836 19.745 9.741 1.00 0.00 O ATOM 845 CB GLN A 54 -4.278 17.985 10.149 1.00 0.00 C ATOM 846 CG GLN A 54 -3.693 18.526 11.445 1.00 0.00 C ATOM 847 CD GLN A 54 -4.103 17.706 12.652 1.00 0.00 C ATOM 848 OE1 GLN A 54 -4.574 18.246 13.653 1.00 0.00 O ATOM 849 NE2 GLN A 54 -3.924 16.392 12.564 1.00 0.00 N ATOM 0 H GLN A 54 -4.093 17.019 7.759 1.00 0.00 H new ATOM 0 HA GLN A 54 -4.348 19.734 8.885 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -5.365 17.997 10.222 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -3.978 16.943 10.035 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -2.606 18.540 11.371 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -4.016 19.558 11.583 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -3.530 15.987 11.715 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -4.180 15.789 13.346 1.00 0.00 H new ATOM 858 N GLN A 55 -1.629 18.353 7.985 1.00 0.00 N ATOM 859 CA GLN A 55 -0.178 18.484 7.912 1.00 0.00 C ATOM 860 C GLN A 55 0.265 19.508 6.861 1.00 0.00 C ATOM 861 O GLN A 55 1.458 19.786 6.728 1.00 0.00 O ATOM 862 CB GLN A 55 0.437 17.117 7.604 1.00 0.00 C ATOM 863 CG GLN A 55 1.953 17.117 7.569 1.00 0.00 C ATOM 864 CD GLN A 55 2.571 17.497 8.901 1.00 0.00 C ATOM 865 OE1 GLN A 55 3.389 18.414 8.980 1.00 0.00 O ATOM 866 NE2 GLN A 55 2.183 16.791 9.956 1.00 0.00 N ATOM 0 H GLN A 55 -2.032 17.733 7.282 1.00 0.00 H new ATOM 0 HA GLN A 55 0.173 18.848 8.878 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.101 16.401 8.354 1.00 0.00 H new ATOM 0 HB3 GLN A 55 0.061 16.770 6.642 1.00 0.00 H new ATOM 0 HG2 GLN A 55 2.305 16.127 7.279 1.00 0.00 H new ATOM 0 HG3 GLN A 55 2.294 17.814 6.803 1.00 0.00 H new ATOM 0 HE21 GLN A 55 1.502 16.039 9.844 1.00 0.00 H new ATOM 0 HE22 GLN A 55 2.565 17.000 10.878 1.00 0.00 H new ATOM 875 N VAL A 56 -0.682 20.082 6.121 1.00 0.00 N ATOM 876 CA VAL A 56 -0.330 21.078 5.103 1.00 0.00 C ATOM 877 C VAL A 56 -0.061 22.432 5.752 1.00 0.00 C ATOM 878 O VAL A 56 -0.271 22.608 6.953 1.00 0.00 O ATOM 879 CB VAL A 56 -1.415 21.293 4.017 1.00 0.00 C ATOM 880 CG1 VAL A 56 -0.785 21.326 2.636 1.00 0.00 C ATOM 881 CG2 VAL A 56 -2.524 20.256 4.062 1.00 0.00 C ATOM 0 H VAL A 56 -1.679 19.883 6.201 1.00 0.00 H new ATOM 0 HA VAL A 56 0.558 20.674 4.616 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.878 22.256 4.233 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.561 21.478 1.886 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.065 22.143 2.584 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.276 20.381 2.446 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.250 20.465 3.276 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.100 19.263 3.910 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.019 20.295 5.032 1.00 0.00 H new ATOM 891 N THR A 57 0.397 23.387 4.948 1.00 0.00 N ATOM 892 CA THR A 57 0.687 24.732 5.432 1.00 0.00 C ATOM 893 C THR A 57 0.230 25.768 4.405 1.00 0.00 C ATOM 894 O THR A 57 -0.137 25.414 3.284 1.00 0.00 O ATOM 895 CB THR A 57 2.186 24.882 5.699 1.00 0.00 C ATOM 896 OG1 THR A 57 2.694 23.736 6.359 1.00 0.00 O ATOM 897 CG2 THR A 57 2.528 26.088 6.547 1.00 0.00 C ATOM 0 H THR A 57 0.576 23.253 3.953 1.00 0.00 H new ATOM 0 HA THR A 57 0.145 24.896 6.364 1.00 0.00 H new ATOM 0 HB THR A 57 2.642 25.009 4.717 1.00 0.00 H new ATOM 0 HG1 THR A 57 3.654 23.850 6.520 1.00 0.00 H new ATOM 0 HG21 THR A 57 3.607 26.133 6.697 1.00 0.00 H new ATOM 0 HG22 THR A 57 2.194 26.994 6.042 1.00 0.00 H new ATOM 0 HG23 THR A 57 2.030 26.006 7.513 1.00 0.00 H new ATOM 905 N GLY A 58 0.260 27.043 4.780 1.00 0.00 N ATOM 906 CA GLY A 58 -0.148 28.092 3.861 1.00 0.00 C ATOM 907 C GLY A 58 -1.636 28.387 3.914 1.00 0.00 C ATOM 908 O GLY A 58 -2.273 28.226 4.954 1.00 0.00 O ATOM 0 H GLY A 58 0.558 27.368 5.700 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.405 29.003 4.091 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.123 27.802 2.846 1.00 0.00 H new ATOM 912 N GLU A 59 -2.189 28.827 2.783 1.00 0.00 N ATOM 913 CA GLU A 59 -3.610 29.155 2.697 1.00 0.00 C ATOM 914 C GLU A 59 -4.464 27.894 2.578 1.00 0.00 C ATOM 915 O GLU A 59 -3.959 26.818 2.258 1.00 0.00 O ATOM 916 CB GLU A 59 -3.870 30.080 1.507 1.00 0.00 C ATOM 917 CG GLU A 59 -4.028 31.540 1.896 1.00 0.00 C ATOM 918 CD GLU A 59 -2.830 32.073 2.657 1.00 0.00 C ATOM 919 OE1 GLU A 59 -1.834 32.454 2.007 1.00 0.00 O ATOM 920 OE2 GLU A 59 -2.887 32.107 3.904 1.00 0.00 O ATOM 0 H GLU A 59 -1.673 28.964 1.914 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.891 29.669 3.616 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.046 29.988 0.799 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -4.772 29.750 0.991 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.178 32.138 0.997 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -4.923 31.654 2.508 1.00 0.00 H new ATOM 927 N PRO A 60 -5.777 28.014 2.842 1.00 0.00 N ATOM 928 CA PRO A 60 -6.711 26.882 2.777 1.00 0.00 C ATOM 929 C PRO A 60 -6.915 26.347 1.361 1.00 0.00 C ATOM 930 O PRO A 60 -7.239 25.172 1.178 1.00 0.00 O ATOM 931 CB PRO A 60 -8.021 27.467 3.314 1.00 0.00 C ATOM 932 CG PRO A 60 -7.910 28.932 3.081 1.00 0.00 C ATOM 933 CD PRO A 60 -6.453 29.264 3.236 1.00 0.00 C ATOM 0 HA PRO A 60 -6.336 26.029 3.343 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -8.883 27.049 2.794 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -8.148 27.244 4.373 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -8.267 29.198 2.086 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -8.516 29.488 3.796 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.160 30.098 2.598 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.211 29.546 4.261 1.00 0.00 H new ATOM 941 N GLN A 61 -6.727 27.203 0.359 1.00 0.00 N ATOM 942 CA GLN A 61 -6.901 26.788 -1.029 1.00 0.00 C ATOM 943 C GLN A 61 -5.781 25.851 -1.460 1.00 0.00 C ATOM 944 O GLN A 61 -6.022 24.819 -2.093 1.00 0.00 O ATOM 945 CB GLN A 61 -6.940 28.011 -1.949 1.00 0.00 C ATOM 946 CG GLN A 61 -8.334 28.588 -2.136 1.00 0.00 C ATOM 947 CD GLN A 61 -8.556 29.852 -1.328 1.00 0.00 C ATOM 948 OE1 GLN A 61 -7.713 30.749 -1.315 1.00 0.00 O ATOM 949 NE2 GLN A 61 -9.695 29.929 -0.650 1.00 0.00 N ATOM 0 H GLN A 61 -6.457 28.179 0.481 1.00 0.00 H new ATOM 0 HA GLN A 61 -7.848 26.254 -1.106 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -6.288 28.783 -1.541 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -6.536 27.735 -2.923 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -8.495 28.804 -3.192 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -9.074 27.842 -1.847 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -10.365 29.161 -0.690 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -9.900 30.756 -0.089 1.00 0.00 H new ATOM 958 N GLU A 62 -4.555 26.203 -1.099 1.00 0.00 N ATOM 959 CA GLU A 62 -3.406 25.380 -1.440 1.00 0.00 C ATOM 960 C GLU A 62 -3.469 24.063 -0.685 1.00 0.00 C ATOM 961 O GLU A 62 -3.139 23.009 -1.228 1.00 0.00 O ATOM 962 CB GLU A 62 -2.100 26.108 -1.129 1.00 0.00 C ATOM 963 CG GLU A 62 -1.989 26.585 0.308 1.00 0.00 C ATOM 964 CD GLU A 62 -0.610 27.121 0.634 1.00 0.00 C ATOM 965 OE1 GLU A 62 0.279 26.310 0.965 1.00 0.00 O ATOM 966 OE2 GLU A 62 -0.419 28.353 0.556 1.00 0.00 O ATOM 0 H GLU A 62 -4.332 27.048 -0.573 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.433 25.179 -2.511 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.264 25.443 -1.346 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.006 26.966 -1.795 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.730 27.364 0.488 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.224 25.760 0.981 1.00 0.00 H new ATOM 973 N ARG A 63 -3.915 24.124 0.568 1.00 0.00 N ATOM 974 CA ARG A 63 -4.041 22.927 1.378 1.00 0.00 C ATOM 975 C ARG A 63 -4.959 21.938 0.679 1.00 0.00 C ATOM 976 O ARG A 63 -4.624 20.765 0.503 1.00 0.00 O ATOM 977 CB ARG A 63 -4.617 23.280 2.749 1.00 0.00 C ATOM 978 CG ARG A 63 -3.554 23.619 3.776 1.00 0.00 C ATOM 979 CD ARG A 63 -3.695 25.036 4.290 1.00 0.00 C ATOM 980 NE ARG A 63 -3.508 25.112 5.738 1.00 0.00 N ATOM 981 CZ ARG A 63 -4.429 24.746 6.626 1.00 0.00 C ATOM 982 NH1 ARG A 63 -5.605 24.281 6.220 1.00 0.00 N ATOM 983 NH2 ARG A 63 -4.176 24.844 7.923 1.00 0.00 N ATOM 0 H ARG A 63 -4.192 24.986 1.037 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.056 22.480 1.512 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.294 24.128 2.644 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -5.210 22.441 3.113 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -3.621 22.922 4.611 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -2.567 23.491 3.332 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -2.964 25.676 3.796 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -4.682 25.420 4.031 1.00 0.00 H new ATOM 0 HE ARG A 63 -2.618 25.467 6.089 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -5.806 24.203 5.223 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -6.307 24.002 6.905 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -3.275 25.200 8.241 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -4.882 24.563 8.603 1.00 0.00 H new ATOM 997 N ASP A 64 -6.130 22.431 0.292 1.00 0.00 N ATOM 998 CA ASP A 64 -7.119 21.605 -0.378 1.00 0.00 C ATOM 999 C ASP A 64 -6.564 20.990 -1.659 1.00 0.00 C ATOM 1000 O ASP A 64 -6.811 19.814 -1.938 1.00 0.00 O ATOM 1001 CB ASP A 64 -8.371 22.425 -0.692 1.00 0.00 C ATOM 1002 CG ASP A 64 -9.550 21.557 -1.087 1.00 0.00 C ATOM 1003 OD1 ASP A 64 -10.202 20.992 -0.183 1.00 0.00 O ATOM 1004 OD2 ASP A 64 -9.821 21.441 -2.300 1.00 0.00 O ATOM 0 H ASP A 64 -6.415 23.400 0.432 1.00 0.00 H new ATOM 0 HA ASP A 64 -7.381 20.792 0.299 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -8.639 23.021 0.180 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -8.151 23.123 -1.500 1.00 0.00 H new ATOM 1009 N LYS A 65 -5.808 21.762 -2.447 1.00 0.00 N ATOM 1010 CA LYS A 65 -5.246 21.230 -3.683 1.00 0.00 C ATOM 1011 C LYS A 65 -4.308 20.070 -3.385 1.00 0.00 C ATOM 1012 O LYS A 65 -4.410 19.002 -3.985 1.00 0.00 O ATOM 1013 CB LYS A 65 -4.498 22.327 -4.444 1.00 0.00 C ATOM 1014 CG LYS A 65 -3.869 21.849 -5.741 1.00 0.00 C ATOM 1015 CD LYS A 65 -2.973 22.916 -6.352 1.00 0.00 C ATOM 1016 CE LYS A 65 -1.804 22.301 -7.108 1.00 0.00 C ATOM 1017 NZ LYS A 65 -0.494 22.731 -6.548 1.00 0.00 N ATOM 0 H LYS A 65 -5.577 22.736 -2.253 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.065 20.867 -4.304 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.189 23.141 -4.664 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.718 22.736 -3.801 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -3.287 20.947 -5.553 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.653 21.581 -6.450 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -3.558 23.539 -7.029 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -2.595 23.569 -5.565 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.877 21.214 -7.068 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.861 22.586 -8.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.277 22.291 -7.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -0.413 23.766 -6.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.429 22.437 -5.553 1.00 0.00 H new ATOM 1031 N ALA A 66 -3.395 20.290 -2.451 1.00 0.00 N ATOM 1032 CA ALA A 66 -2.438 19.260 -2.072 1.00 0.00 C ATOM 1033 C ALA A 66 -3.169 18.005 -1.615 1.00 0.00 C ATOM 1034 O ALA A 66 -2.702 16.888 -1.830 1.00 0.00 O ATOM 1035 CB ALA A 66 -1.514 19.765 -0.975 1.00 0.00 C ATOM 0 H ALA A 66 -3.296 21.169 -1.943 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.832 19.014 -2.944 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.806 18.981 -0.706 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -0.969 20.639 -1.332 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.104 20.038 -0.100 1.00 0.00 H new ATOM 1041 N LEU A 67 -4.323 18.201 -0.984 1.00 0.00 N ATOM 1042 CA LEU A 67 -5.127 17.089 -0.496 1.00 0.00 C ATOM 1043 C LEU A 67 -5.749 16.307 -1.648 1.00 0.00 C ATOM 1044 O LEU A 67 -5.857 15.080 -1.587 1.00 0.00 O ATOM 1045 CB LEU A 67 -6.221 17.602 0.440 1.00 0.00 C ATOM 1046 CG LEU A 67 -5.859 17.606 1.928 1.00 0.00 C ATOM 1047 CD1 LEU A 67 -4.470 18.193 2.145 1.00 0.00 C ATOM 1048 CD2 LEU A 67 -6.899 18.385 2.721 1.00 0.00 C ATOM 0 H LEU A 67 -4.721 19.122 -0.799 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.470 16.415 0.054 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.483 18.618 0.144 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.112 16.990 0.301 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.850 16.576 2.283 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.234 18.186 3.209 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.734 17.596 1.606 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.446 19.218 1.775 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.630 18.380 3.777 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -6.936 19.413 2.361 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -7.877 17.920 2.594 1.00 0.00 H new ATOM 1060 N GLN A 68 -6.149 17.011 -2.705 1.00 0.00 N ATOM 1061 CA GLN A 68 -6.747 16.351 -3.858 1.00 0.00 C ATOM 1062 C GLN A 68 -5.680 15.599 -4.647 1.00 0.00 C ATOM 1063 O GLN A 68 -5.881 14.451 -5.045 1.00 0.00 O ATOM 1064 CB GLN A 68 -7.491 17.366 -4.746 1.00 0.00 C ATOM 1065 CG GLN A 68 -6.664 17.956 -5.883 1.00 0.00 C ATOM 1066 CD GLN A 68 -6.583 17.037 -7.087 1.00 0.00 C ATOM 1067 OE1 GLN A 68 -7.515 16.285 -7.373 1.00 0.00 O ATOM 1068 NE2 GLN A 68 -5.465 17.096 -7.801 1.00 0.00 N ATOM 0 H GLN A 68 -6.071 18.025 -2.785 1.00 0.00 H new ATOM 0 HA GLN A 68 -7.481 15.627 -3.504 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.369 16.879 -5.170 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.850 18.181 -4.118 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -7.099 18.908 -6.187 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -5.657 18.166 -5.523 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -4.718 17.734 -7.527 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -5.353 16.503 -8.623 1.00 0.00 H new ATOM 1077 N GLU A 69 -4.540 16.247 -4.864 1.00 0.00 N ATOM 1078 CA GLU A 69 -3.443 15.633 -5.594 1.00 0.00 C ATOM 1079 C GLU A 69 -2.927 14.413 -4.846 1.00 0.00 C ATOM 1080 O GLU A 69 -2.590 13.397 -5.452 1.00 0.00 O ATOM 1081 CB GLU A 69 -2.309 16.638 -5.804 1.00 0.00 C ATOM 1082 CG GLU A 69 -1.491 16.383 -7.058 1.00 0.00 C ATOM 1083 CD GLU A 69 -0.205 17.186 -7.091 1.00 0.00 C ATOM 1084 OE1 GLU A 69 0.813 16.697 -6.560 1.00 0.00 O ATOM 1085 OE2 GLU A 69 -0.219 18.304 -7.647 1.00 0.00 O ATOM 0 H GLU A 69 -4.354 17.197 -4.544 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.814 15.317 -6.569 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.730 17.642 -5.854 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.648 16.612 -4.938 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.253 15.321 -7.122 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.091 16.629 -7.934 1.00 0.00 H new ATOM 1092 N LEU A 70 -2.878 14.518 -3.521 1.00 0.00 N ATOM 1093 CA LEU A 70 -2.412 13.414 -2.692 1.00 0.00 C ATOM 1094 C LEU A 70 -3.347 12.225 -2.845 1.00 0.00 C ATOM 1095 O LEU A 70 -2.907 11.098 -3.071 1.00 0.00 O ATOM 1096 CB LEU A 70 -2.340 13.845 -1.220 1.00 0.00 C ATOM 1097 CG LEU A 70 -1.256 13.174 -0.355 1.00 0.00 C ATOM 1098 CD1 LEU A 70 -0.337 12.284 -1.182 1.00 0.00 C ATOM 1099 CD2 LEU A 70 -0.446 14.229 0.384 1.00 0.00 C ATOM 0 H LEU A 70 -3.154 15.352 -3.002 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.413 13.126 -3.017 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.182 14.923 -1.188 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.310 13.652 -0.761 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.762 12.536 0.370 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.412 11.831 -0.532 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.924 11.500 -1.661 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.159 12.883 -1.945 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.317 13.742 0.992 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.033 14.891 -0.337 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.107 14.810 1.028 1.00 0.00 H new ATOM 1111 N ARG A 71 -4.643 12.487 -2.717 1.00 0.00 N ATOM 1112 CA ARG A 71 -5.650 11.438 -2.838 1.00 0.00 C ATOM 1113 C ARG A 71 -5.504 10.708 -4.168 1.00 0.00 C ATOM 1114 O ARG A 71 -5.538 9.477 -4.216 1.00 0.00 O ATOM 1115 CB ARG A 71 -7.054 12.037 -2.719 1.00 0.00 C ATOM 1116 CG ARG A 71 -8.171 11.019 -2.897 1.00 0.00 C ATOM 1117 CD ARG A 71 -8.604 10.431 -1.564 1.00 0.00 C ATOM 1118 NE ARG A 71 -8.964 9.020 -1.678 1.00 0.00 N ATOM 1119 CZ ARG A 71 -9.640 8.350 -0.749 1.00 0.00 C ATOM 1120 NH1 ARG A 71 -10.034 8.959 0.363 1.00 0.00 N ATOM 1121 NH2 ARG A 71 -9.926 7.069 -0.933 1.00 0.00 N ATOM 0 H ARG A 71 -5.021 13.416 -2.530 1.00 0.00 H new ATOM 0 HA ARG A 71 -5.501 10.722 -2.030 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -7.157 12.508 -1.742 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -7.168 12.823 -3.466 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -9.024 11.494 -3.381 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -7.835 10.219 -3.557 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -7.797 10.542 -0.840 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -9.456 10.992 -1.180 1.00 0.00 H new ATOM 0 HE ARG A 71 -8.680 8.519 -2.520 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -9.819 9.945 0.508 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -10.552 8.441 1.072 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -9.628 6.597 -1.787 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -10.444 6.555 -0.221 1.00 0.00 H new ATOM 1135 N GLN A 72 -5.322 11.467 -5.243 1.00 0.00 N ATOM 1136 CA GLN A 72 -5.150 10.877 -6.560 1.00 0.00 C ATOM 1137 C GLN A 72 -3.819 10.138 -6.626 1.00 0.00 C ATOM 1138 O GLN A 72 -3.695 9.101 -7.282 1.00 0.00 O ATOM 1139 CB GLN A 72 -5.206 11.961 -7.640 1.00 0.00 C ATOM 1140 CG GLN A 72 -6.285 11.723 -8.684 1.00 0.00 C ATOM 1141 CD GLN A 72 -5.716 11.524 -10.077 1.00 0.00 C ATOM 1142 OE1 GLN A 72 -5.921 10.484 -10.700 1.00 0.00 O ATOM 1143 NE2 GLN A 72 -4.996 12.525 -10.570 1.00 0.00 N ATOM 0 H GLN A 72 -5.290 12.486 -5.226 1.00 0.00 H new ATOM 0 HA GLN A 72 -5.959 10.169 -6.737 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -5.378 12.927 -7.165 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -4.237 12.018 -8.137 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -6.868 10.845 -8.405 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -6.970 12.571 -8.693 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -4.852 13.370 -10.017 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -4.587 12.449 -11.501 1.00 0.00 H new ATOM 1152 N GLU A 73 -2.826 10.683 -5.928 1.00 0.00 N ATOM 1153 CA GLU A 73 -1.498 10.091 -5.890 1.00 0.00 C ATOM 1154 C GLU A 73 -1.541 8.686 -5.300 1.00 0.00 C ATOM 1155 O GLU A 73 -0.941 7.760 -5.845 1.00 0.00 O ATOM 1156 CB GLU A 73 -0.547 10.972 -5.077 1.00 0.00 C ATOM 1157 CG GLU A 73 0.808 11.174 -5.736 1.00 0.00 C ATOM 1158 CD GLU A 73 0.705 11.870 -7.078 1.00 0.00 C ATOM 1159 OE1 GLU A 73 0.389 11.190 -8.077 1.00 0.00 O ATOM 1160 OE2 GLU A 73 0.941 13.096 -7.131 1.00 0.00 O ATOM 0 H GLU A 73 -2.920 11.538 -5.380 1.00 0.00 H new ATOM 0 HA GLU A 73 -1.131 10.021 -6.914 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -1.013 11.944 -4.918 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -0.401 10.524 -4.094 1.00 0.00 H new ATOM 0 HG2 GLU A 73 1.446 11.761 -5.075 1.00 0.00 H new ATOM 0 HG3 GLU A 73 1.291 10.206 -5.869 1.00 0.00 H new ATOM 1167 N LEU A 74 -2.265 8.521 -4.193 1.00 0.00 N ATOM 1168 CA LEU A 74 -2.387 7.216 -3.560 1.00 0.00 C ATOM 1169 C LEU A 74 -3.180 6.267 -4.450 1.00 0.00 C ATOM 1170 O LEU A 74 -2.808 5.113 -4.631 1.00 0.00 O ATOM 1171 CB LEU A 74 -3.074 7.345 -2.198 1.00 0.00 C ATOM 1172 CG LEU A 74 -2.477 8.399 -1.264 1.00 0.00 C ATOM 1173 CD1 LEU A 74 -3.317 8.530 -0.002 1.00 0.00 C ATOM 1174 CD2 LEU A 74 -1.038 8.048 -0.916 1.00 0.00 C ATOM 0 H LEU A 74 -2.771 9.271 -3.722 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.386 6.811 -3.414 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.126 7.581 -2.360 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.038 6.377 -1.698 1.00 0.00 H new ATOM 0 HG LEU A 74 -2.481 9.359 -1.779 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.878 9.284 0.651 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.331 8.828 -0.269 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.345 7.572 0.517 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.629 8.808 -0.251 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.010 7.078 -0.419 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.443 8.006 -1.828 1.00 0.00 H new ATOM 1186 N ASN A 75 -4.286 6.768 -4.988 1.00 0.00 N ATOM 1187 CA ASN A 75 -5.151 5.969 -5.853 1.00 0.00 C ATOM 1188 C ASN A 75 -4.354 5.340 -6.994 1.00 0.00 C ATOM 1189 O ASN A 75 -4.583 4.188 -7.364 1.00 0.00 O ATOM 1190 CB ASN A 75 -6.305 6.832 -6.391 1.00 0.00 C ATOM 1191 CG ASN A 75 -6.345 6.923 -7.907 1.00 0.00 C ATOM 1192 OD1 ASN A 75 -6.842 6.023 -8.583 1.00 0.00 O ATOM 1193 ND2 ASN A 75 -5.820 8.016 -8.448 1.00 0.00 N ATOM 0 H ASN A 75 -4.607 7.725 -4.841 1.00 0.00 H new ATOM 0 HA ASN A 75 -5.576 5.156 -5.264 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -7.250 6.421 -6.036 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -6.219 7.837 -5.978 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -5.819 8.133 -9.461 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -5.418 8.738 -7.850 1.00 0.00 H new ATOM 1200 N THR A 76 -3.419 6.102 -7.547 1.00 0.00 N ATOM 1201 CA THR A 76 -2.591 5.615 -8.644 1.00 0.00 C ATOM 1202 C THR A 76 -1.449 4.742 -8.124 1.00 0.00 C ATOM 1203 O THR A 76 -1.061 3.765 -8.765 1.00 0.00 O ATOM 1204 CB THR A 76 -2.027 6.789 -9.445 1.00 0.00 C ATOM 1205 OG1 THR A 76 -1.300 6.326 -10.569 1.00 0.00 O ATOM 1206 CG2 THR A 76 -1.106 7.678 -8.637 1.00 0.00 C ATOM 0 H THR A 76 -3.215 7.058 -7.255 1.00 0.00 H new ATOM 0 HA THR A 76 -3.219 5.007 -9.295 1.00 0.00 H new ATOM 0 HB THR A 76 -2.895 7.374 -9.749 1.00 0.00 H new ATOM 0 HG1 THR A 76 -0.949 7.092 -11.069 1.00 0.00 H new ATOM 0 HG21 THR A 76 -0.741 8.491 -9.265 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.651 8.092 -7.789 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.261 7.093 -8.274 1.00 0.00 H new ATOM 1214 N LEU A 77 -0.911 5.110 -6.966 1.00 0.00 N ATOM 1215 CA LEU A 77 0.194 4.371 -6.364 1.00 0.00 C ATOM 1216 C LEU A 77 -0.255 3.013 -5.825 1.00 0.00 C ATOM 1217 O LEU A 77 0.530 2.067 -5.775 1.00 0.00 O ATOM 1218 CB LEU A 77 0.824 5.201 -5.242 1.00 0.00 C ATOM 1219 CG LEU A 77 2.172 5.834 -5.589 1.00 0.00 C ATOM 1220 CD1 LEU A 77 2.526 6.922 -4.586 1.00 0.00 C ATOM 1221 CD2 LEU A 77 3.262 4.773 -5.635 1.00 0.00 C ATOM 0 H LEU A 77 -1.222 5.916 -6.425 1.00 0.00 H new ATOM 0 HA LEU A 77 0.934 4.186 -7.143 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.129 5.992 -4.961 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.953 4.564 -4.367 1.00 0.00 H new ATOM 0 HG LEU A 77 2.094 6.291 -6.576 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.488 7.361 -4.850 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.758 7.695 -4.602 1.00 0.00 H new ATOM 0 HD13 LEU A 77 2.585 6.490 -3.587 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.215 5.241 -5.883 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.339 4.288 -4.662 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.014 4.030 -6.393 1.00 0.00 H new ATOM 1233 N ALA A 78 -1.511 2.925 -5.403 1.00 0.00 N ATOM 1234 CA ALA A 78 -2.050 1.686 -4.848 1.00 0.00 C ATOM 1235 C ALA A 78 -2.283 0.624 -5.922 1.00 0.00 C ATOM 1236 O ALA A 78 -2.203 -0.572 -5.644 1.00 0.00 O ATOM 1237 CB ALA A 78 -3.346 1.969 -4.103 1.00 0.00 C ATOM 0 H ALA A 78 -2.177 3.697 -5.434 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.308 1.290 -4.155 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -3.740 1.039 -3.693 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.153 2.671 -3.292 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -4.074 2.400 -4.790 1.00 0.00 H new ATOM 1243 N ASN A 79 -2.582 1.058 -7.143 1.00 0.00 N ATOM 1244 CA ASN A 79 -2.836 0.127 -8.239 1.00 0.00 C ATOM 1245 C ASN A 79 -1.647 -0.809 -8.480 1.00 0.00 C ATOM 1246 O ASN A 79 -1.821 -2.025 -8.562 1.00 0.00 O ATOM 1247 CB ASN A 79 -3.160 0.895 -9.523 1.00 0.00 C ATOM 1248 CG ASN A 79 -4.249 0.225 -10.338 1.00 0.00 C ATOM 1249 OD1 ASN A 79 -5.385 0.086 -9.884 1.00 0.00 O ATOM 1250 ND2 ASN A 79 -3.907 -0.195 -11.551 1.00 0.00 N ATOM 0 H ASN A 79 -2.654 2.043 -7.398 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.692 -0.485 -7.954 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.472 1.908 -9.268 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.258 0.982 -10.129 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -4.598 -0.653 -12.146 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -2.954 -0.059 -11.888 1.00 0.00 H new ATOM 1257 N PRO A 80 -0.421 -0.262 -8.602 1.00 0.00 N ATOM 1258 CA PRO A 80 0.779 -1.073 -8.841 1.00 0.00 C ATOM 1259 C PRO A 80 1.143 -1.957 -7.651 1.00 0.00 C ATOM 1260 O PRO A 80 1.495 -3.126 -7.822 1.00 0.00 O ATOM 1261 CB PRO A 80 1.873 -0.034 -9.093 1.00 0.00 C ATOM 1262 CG PRO A 80 1.390 1.201 -8.420 1.00 0.00 C ATOM 1263 CD PRO A 80 -0.110 1.176 -8.535 1.00 0.00 C ATOM 0 HA PRO A 80 0.634 -1.767 -9.669 1.00 0.00 H new ATOM 0 HB2 PRO A 80 2.829 -0.359 -8.683 1.00 0.00 H new ATOM 0 HB3 PRO A 80 2.023 0.131 -10.160 1.00 0.00 H new ATOM 0 HG2 PRO A 80 1.701 1.223 -7.376 1.00 0.00 H new ATOM 0 HG3 PRO A 80 1.803 2.091 -8.895 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -0.587 1.651 -7.678 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -0.454 1.704 -9.424 1.00 0.00 H new ATOM 1271 N PHE A 81 1.045 -1.408 -6.441 1.00 0.00 N ATOM 1272 CA PHE A 81 1.352 -2.165 -5.232 1.00 0.00 C ATOM 1273 C PHE A 81 0.375 -3.322 -5.079 1.00 0.00 C ATOM 1274 O PHE A 81 0.775 -4.479 -4.922 1.00 0.00 O ATOM 1275 CB PHE A 81 1.274 -1.238 -4.014 1.00 0.00 C ATOM 1276 CG PHE A 81 1.342 -1.934 -2.680 1.00 0.00 C ATOM 1277 CD1 PHE A 81 1.946 -3.177 -2.547 1.00 0.00 C ATOM 1278 CD2 PHE A 81 0.805 -1.333 -1.553 1.00 0.00 C ATOM 1279 CE1 PHE A 81 2.010 -3.803 -1.316 1.00 0.00 C ATOM 1280 CE2 PHE A 81 0.864 -1.953 -0.321 1.00 0.00 C ATOM 1281 CZ PHE A 81 1.469 -3.190 -0.201 1.00 0.00 C ATOM 0 H PHE A 81 0.756 -0.444 -6.274 1.00 0.00 H new ATOM 0 HA PHE A 81 2.361 -2.571 -5.306 1.00 0.00 H new ATOM 0 HB2 PHE A 81 2.089 -0.516 -4.073 1.00 0.00 H new ATOM 0 HB3 PHE A 81 0.343 -0.673 -4.065 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.370 -3.660 -3.415 1.00 0.00 H new ATOM 0 HD2 PHE A 81 0.333 -0.365 -1.640 1.00 0.00 H new ATOM 0 HE1 PHE A 81 2.482 -4.770 -1.225 1.00 0.00 H new ATOM 0 HE2 PHE A 81 0.438 -1.472 0.547 1.00 0.00 H new ATOM 0 HZ PHE A 81 1.519 -3.677 0.762 1.00 0.00 H new ATOM 1291 N LEU A 82 -0.913 -3.000 -5.137 1.00 0.00 N ATOM 1292 CA LEU A 82 -1.954 -4.006 -5.016 1.00 0.00 C ATOM 1293 C LEU A 82 -1.773 -5.087 -6.071 1.00 0.00 C ATOM 1294 O LEU A 82 -2.136 -6.242 -5.854 1.00 0.00 O ATOM 1295 CB LEU A 82 -3.336 -3.363 -5.151 1.00 0.00 C ATOM 1296 CG LEU A 82 -3.823 -2.608 -3.913 1.00 0.00 C ATOM 1297 CD1 LEU A 82 -4.909 -1.613 -4.288 1.00 0.00 C ATOM 1298 CD2 LEU A 82 -4.330 -3.584 -2.861 1.00 0.00 C ATOM 0 H LEU A 82 -1.258 -2.049 -5.267 1.00 0.00 H new ATOM 0 HA LEU A 82 -1.877 -4.464 -4.030 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.318 -2.673 -5.995 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.060 -4.141 -5.391 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.983 -2.055 -3.493 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -5.243 -1.085 -3.395 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.513 -0.895 -5.006 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.751 -2.144 -4.732 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.673 -3.031 -1.987 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.157 -4.164 -3.271 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -3.524 -4.258 -2.571 1.00 0.00 H new ATOM 1310 N ALA A 83 -1.197 -4.712 -7.211 1.00 0.00 N ATOM 1311 CA ALA A 83 -0.961 -5.660 -8.289 1.00 0.00 C ATOM 1312 C ALA A 83 0.114 -6.663 -7.892 1.00 0.00 C ATOM 1313 O ALA A 83 -0.062 -7.871 -8.047 1.00 0.00 O ATOM 1314 CB ALA A 83 -0.561 -4.928 -9.562 1.00 0.00 C ATOM 0 H ALA A 83 -0.887 -3.761 -7.409 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.886 -6.204 -8.479 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.388 -5.652 -10.359 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.360 -4.248 -9.857 1.00 0.00 H new ATOM 0 HB3 ALA A 83 0.352 -4.360 -9.383 1.00 0.00 H new ATOM 1320 N LYS A 84 1.227 -6.157 -7.370 1.00 0.00 N ATOM 1321 CA LYS A 84 2.323 -7.019 -6.942 1.00 0.00 C ATOM 1322 C LYS A 84 1.838 -8.027 -5.907 1.00 0.00 C ATOM 1323 O LYS A 84 2.225 -9.196 -5.933 1.00 0.00 O ATOM 1324 CB LYS A 84 3.466 -6.190 -6.350 1.00 0.00 C ATOM 1325 CG LYS A 84 4.108 -5.240 -7.348 1.00 0.00 C ATOM 1326 CD LYS A 84 4.853 -5.996 -8.437 1.00 0.00 C ATOM 1327 CE LYS A 84 4.644 -5.360 -9.802 1.00 0.00 C ATOM 1328 NZ LYS A 84 3.252 -5.548 -10.296 1.00 0.00 N ATOM 0 H LYS A 84 1.393 -5.160 -7.234 1.00 0.00 H new ATOM 0 HA LYS A 84 2.690 -7.553 -7.818 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.087 -5.615 -5.505 1.00 0.00 H new ATOM 0 HB3 LYS A 84 4.229 -6.864 -5.960 1.00 0.00 H new ATOM 0 HG2 LYS A 84 3.340 -4.612 -7.800 1.00 0.00 H new ATOM 0 HG3 LYS A 84 4.798 -4.576 -6.828 1.00 0.00 H new ATOM 0 HD2 LYS A 84 5.918 -6.017 -8.204 1.00 0.00 H new ATOM 0 HD3 LYS A 84 4.512 -7.031 -8.461 1.00 0.00 H new ATOM 0 HE2 LYS A 84 4.868 -4.295 -9.744 1.00 0.00 H new ATOM 0 HE3 LYS A 84 5.344 -5.794 -10.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 3.223 -5.383 -11.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.939 -6.519 -10.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 2.620 -4.873 -9.819 1.00 0.00 H new ATOM 1342 N TYR A 85 0.991 -7.563 -4.993 1.00 0.00 N ATOM 1343 CA TYR A 85 0.469 -8.432 -3.949 1.00 0.00 C ATOM 1344 C TYR A 85 -0.638 -9.340 -4.472 1.00 0.00 C ATOM 1345 O TYR A 85 -0.773 -10.473 -4.019 1.00 0.00 O ATOM 1346 CB TYR A 85 -0.023 -7.625 -2.749 1.00 0.00 C ATOM 1347 CG TYR A 85 0.438 -8.212 -1.434 1.00 0.00 C ATOM 1348 CD1 TYR A 85 1.783 -8.496 -1.222 1.00 0.00 C ATOM 1349 CD2 TYR A 85 -0.461 -8.495 -0.416 1.00 0.00 C ATOM 1350 CE1 TYR A 85 2.219 -9.043 -0.031 1.00 0.00 C ATOM 1351 CE2 TYR A 85 -0.033 -9.044 0.780 1.00 0.00 C ATOM 1352 CZ TYR A 85 1.307 -9.316 0.967 1.00 0.00 C ATOM 1353 OH TYR A 85 1.736 -9.861 2.155 1.00 0.00 O ATOM 0 H TYR A 85 0.656 -6.600 -4.955 1.00 0.00 H new ATOM 0 HA TYR A 85 1.293 -9.065 -3.620 1.00 0.00 H new ATOM 0 HB2 TYR A 85 0.336 -6.599 -2.832 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -1.112 -7.584 -2.764 1.00 0.00 H new ATOM 0 HD1 TYR A 85 2.499 -8.285 -2.002 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -1.510 -8.284 -0.559 1.00 0.00 H new ATOM 0 HE1 TYR A 85 3.267 -9.256 0.118 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -0.745 -9.259 1.564 1.00 0.00 H new ATOM 0 HH TYR A 85 1.809 -9.155 2.831 1.00 0.00 H new ATOM 1363 N ARG A 86 -1.426 -8.855 -5.428 1.00 0.00 N ATOM 1364 CA ARG A 86 -2.501 -9.668 -5.990 1.00 0.00 C ATOM 1365 C ARG A 86 -1.915 -10.824 -6.796 1.00 0.00 C ATOM 1366 O ARG A 86 -2.401 -11.952 -6.726 1.00 0.00 O ATOM 1367 CB ARG A 86 -3.449 -8.818 -6.853 1.00 0.00 C ATOM 1368 CG ARG A 86 -3.047 -8.701 -8.320 1.00 0.00 C ATOM 1369 CD ARG A 86 -4.174 -8.125 -9.166 1.00 0.00 C ATOM 1370 NE ARG A 86 -4.946 -7.113 -8.448 1.00 0.00 N ATOM 1371 CZ ARG A 86 -6.195 -6.772 -8.760 1.00 0.00 C ATOM 1372 NH1 ARG A 86 -6.811 -7.348 -9.785 1.00 0.00 N ATOM 1373 NH2 ARG A 86 -6.828 -5.851 -8.048 1.00 0.00 N ATOM 0 H ARG A 86 -1.343 -7.919 -5.825 1.00 0.00 H new ATOM 0 HA ARG A 86 -3.088 -10.078 -5.169 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -4.450 -9.246 -6.798 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -3.507 -7.817 -6.426 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.165 -8.066 -8.407 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -2.771 -9.684 -8.702 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -3.757 -7.685 -10.072 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -4.838 -8.931 -9.479 1.00 0.00 H new ATOM 0 HE ARG A 86 -4.502 -6.640 -7.661 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -6.328 -8.056 -10.338 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -7.768 -7.083 -10.019 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -6.359 -5.403 -7.261 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -7.785 -5.590 -8.287 1.00 0.00 H new ATOM 1387 N ASP A 87 -0.854 -10.537 -7.545 1.00 0.00 N ATOM 1388 CA ASP A 87 -0.185 -11.555 -8.349 1.00 0.00 C ATOM 1389 C ASP A 87 0.594 -12.501 -7.443 1.00 0.00 C ATOM 1390 O ASP A 87 0.644 -13.709 -7.677 1.00 0.00 O ATOM 1391 CB ASP A 87 0.757 -10.903 -9.361 1.00 0.00 C ATOM 1392 CG ASP A 87 0.033 -10.445 -10.612 1.00 0.00 C ATOM 1393 OD1 ASP A 87 -0.749 -9.476 -10.523 1.00 0.00 O ATOM 1394 OD2 ASP A 87 0.247 -11.057 -11.680 1.00 0.00 O ATOM 0 H ASP A 87 -0.439 -9.608 -7.612 1.00 0.00 H new ATOM 0 HA ASP A 87 -0.939 -12.122 -8.894 1.00 0.00 H new ATOM 0 HB2 ASP A 87 1.250 -10.049 -8.897 1.00 0.00 H new ATOM 0 HB3 ASP A 87 1.538 -11.612 -9.635 1.00 0.00 H new ATOM 1399 N PHE A 88 1.181 -11.936 -6.394 1.00 0.00 N ATOM 1400 CA PHE A 88 1.943 -12.706 -5.420 1.00 0.00 C ATOM 1401 C PHE A 88 1.000 -13.547 -4.560 1.00 0.00 C ATOM 1402 O PHE A 88 1.351 -14.631 -4.101 1.00 0.00 O ATOM 1403 CB PHE A 88 2.756 -11.753 -4.541 1.00 0.00 C ATOM 1404 CG PHE A 88 3.767 -12.431 -3.666 1.00 0.00 C ATOM 1405 CD1 PHE A 88 4.533 -13.482 -4.145 1.00 0.00 C ATOM 1406 CD2 PHE A 88 3.958 -12.007 -2.363 1.00 0.00 C ATOM 1407 CE1 PHE A 88 5.470 -14.097 -3.336 1.00 0.00 C ATOM 1408 CE2 PHE A 88 4.890 -12.616 -1.550 1.00 0.00 C ATOM 1409 CZ PHE A 88 5.649 -13.663 -2.036 1.00 0.00 C ATOM 0 H PHE A 88 1.142 -10.936 -6.196 1.00 0.00 H new ATOM 0 HA PHE A 88 2.623 -13.378 -5.944 1.00 0.00 H new ATOM 0 HB2 PHE A 88 3.270 -11.036 -5.181 1.00 0.00 H new ATOM 0 HB3 PHE A 88 2.071 -11.185 -3.912 1.00 0.00 H new ATOM 0 HD1 PHE A 88 4.396 -13.824 -5.160 1.00 0.00 H new ATOM 0 HD2 PHE A 88 3.369 -11.188 -1.978 1.00 0.00 H new ATOM 0 HE1 PHE A 88 6.061 -14.915 -3.719 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.027 -12.275 -0.534 1.00 0.00 H new ATOM 0 HZ PHE A 88 6.381 -14.141 -1.402 1.00 0.00 H new ATOM 1419 N LEU A 89 -0.216 -13.038 -4.388 1.00 0.00 N ATOM 1420 CA LEU A 89 -1.238 -13.746 -3.626 1.00 0.00 C ATOM 1421 C LEU A 89 -1.847 -14.846 -4.493 1.00 0.00 C ATOM 1422 O LEU A 89 -2.030 -15.980 -4.054 1.00 0.00 O ATOM 1423 CB LEU A 89 -2.324 -12.775 -3.153 1.00 0.00 C ATOM 1424 CG LEU A 89 -2.097 -12.148 -1.770 1.00 0.00 C ATOM 1425 CD1 LEU A 89 -0.611 -12.003 -1.469 1.00 0.00 C ATOM 1426 CD2 LEU A 89 -2.788 -10.795 -1.681 1.00 0.00 C ATOM 0 H LEU A 89 -0.517 -12.139 -4.765 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.779 -14.196 -2.745 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -2.413 -11.973 -3.886 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.278 -13.303 -3.141 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.530 -12.815 -1.024 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -0.481 -11.556 -0.483 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.139 -12.985 -1.487 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.148 -11.364 -2.221 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -2.618 -10.364 -0.695 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.383 -10.129 -2.443 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.859 -10.922 -1.841 1.00 0.00 H new