USER MOD reduce.3.24.130724 H: found=0, std=0, add=424, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 425 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 CYS SG : rot -27:sc= -4.28! USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 40:sc= -3.29! USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 ASN : amide:sc= -0.0418 X(o=-0.042,f=-0.27) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 15:sc= -4.44! USER MOD Single : A 53 MET CE :methyl -153:sc= -2.04 (180deg=-3.63!) USER MOD Single : A 56 SER OG : rot -178:sc= 0.195 USER MOD Single : A 57 ASN : amide:sc= -0.367 K(o=-0.37,f=-3.2!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N ARG A 8 -8.077 -5.773 0.820 1.00 0.00 N ATOM 67 CA ARG A 8 -7.059 -5.881 1.851 1.00 0.00 C ATOM 68 C ARG A 8 -6.561 -4.490 2.252 1.00 0.00 C ATOM 69 O ARG A 8 -6.622 -3.552 1.459 1.00 0.00 O ATOM 70 CB ARG A 8 -5.873 -6.719 1.369 1.00 0.00 C ATOM 71 CG ARG A 8 -6.030 -8.182 1.788 1.00 0.00 C ATOM 72 CD ARG A 8 -4.873 -8.622 2.688 1.00 0.00 C ATOM 73 NE ARG A 8 -5.365 -9.554 3.726 1.00 0.00 N ATOM 74 CZ ARG A 8 -4.695 -9.850 4.849 1.00 0.00 C ATOM 75 NH1 ARG A 8 -3.501 -9.289 5.084 1.00 0.00 N ATOM 76 NH2 ARG A 8 -5.219 -10.708 5.735 1.00 0.00 N ATOM 0 HA ARG A 8 -7.511 -6.373 2.713 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -5.794 -6.654 0.284 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -4.947 -6.316 1.780 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -6.975 -8.314 2.314 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -6.068 -8.816 0.902 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -4.100 -9.106 2.090 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -4.415 -7.751 3.157 1.00 0.00 H new ATOM 0 HE ARG A 8 -6.271 -9.999 3.578 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -3.102 -8.637 4.409 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -2.991 -9.514 5.938 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -6.127 -11.136 5.555 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -4.710 -10.933 6.589 1.00 0.00 H new ATOM 90 N ARG A 9 -6.080 -4.402 3.483 1.00 0.00 N ATOM 91 CA ARG A 9 -5.573 -3.142 4.000 1.00 0.00 C ATOM 92 C ARG A 9 -4.181 -3.338 4.605 1.00 0.00 C ATOM 93 O ARG A 9 -3.889 -4.391 5.170 1.00 0.00 O ATOM 94 CB ARG A 9 -6.508 -2.567 5.065 1.00 0.00 C ATOM 95 CG ARG A 9 -7.389 -1.460 4.481 1.00 0.00 C ATOM 96 CD ARG A 9 -8.354 -0.914 5.536 1.00 0.00 C ATOM 97 NE ARG A 9 -9.642 -1.639 5.467 1.00 0.00 N ATOM 98 CZ ARG A 9 -10.683 -1.398 6.275 1.00 0.00 C ATOM 99 NH1 ARG A 9 -10.595 -0.450 7.217 1.00 0.00 N ATOM 100 NH2 ARG A 9 -11.813 -2.105 6.140 1.00 0.00 N ATOM 0 H ARG A 9 -6.030 -5.183 4.138 1.00 0.00 H new ATOM 0 HA ARG A 9 -5.516 -2.441 3.167 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -7.136 -3.361 5.470 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -5.921 -2.171 5.894 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -6.762 -0.652 4.104 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -7.953 -1.848 3.633 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -7.919 -1.022 6.530 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -8.518 0.151 5.374 1.00 0.00 H new ATOM 0 HE ARG A 9 -9.744 -2.368 4.760 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -9.735 0.089 7.319 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -11.388 -0.267 7.832 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -11.880 -2.827 5.422 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -12.606 -1.922 6.755 1.00 0.00 H new ATOM 114 N CYS A 10 -3.360 -2.308 4.466 1.00 0.00 N ATOM 115 CA CYS A 10 -2.006 -2.354 4.992 1.00 0.00 C ATOM 116 C CYS A 10 -1.597 -0.935 5.390 1.00 0.00 C ATOM 117 O CYS A 10 -2.034 0.037 4.774 1.00 0.00 O ATOM 118 CB CYS A 10 -1.030 -2.969 3.988 1.00 0.00 C ATOM 119 SG CYS A 10 -1.769 -4.462 3.230 1.00 0.00 S ATOM 0 H CYS A 10 -3.606 -1.436 3.997 1.00 0.00 H new ATOM 0 HA CYS A 10 -1.976 -2.999 5.870 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -0.785 -2.242 3.214 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.097 -3.229 4.488 1.00 0.00 H new ATOM 0 HG CYS A 10 -2.630 -4.985 4.052 1.00 0.00 H new ATOM 125 N GLN A 11 -0.763 -0.859 6.417 1.00 0.00 N ATOM 126 CA GLN A 11 -0.290 0.425 6.904 1.00 0.00 C ATOM 127 C GLN A 11 1.128 0.696 6.396 1.00 0.00 C ATOM 128 O GLN A 11 1.891 -0.236 6.147 1.00 0.00 O ATOM 129 CB GLN A 11 -0.346 0.487 8.431 1.00 0.00 C ATOM 130 CG GLN A 11 -0.349 1.936 8.922 1.00 0.00 C ATOM 131 CD GLN A 11 -1.166 2.077 10.208 1.00 0.00 C ATOM 132 OE1 GLN A 11 -1.256 1.171 11.020 1.00 0.00 O ATOM 133 NE2 GLN A 11 -1.756 3.261 10.347 1.00 0.00 N ATOM 0 H GLN A 11 -0.403 -1.667 6.925 1.00 0.00 H new ATOM 0 HA GLN A 11 -0.949 1.203 6.517 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.241 -0.023 8.786 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.510 -0.041 8.851 1.00 0.00 H new ATOM 0 HG2 GLN A 11 0.675 2.266 9.099 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.764 2.584 8.150 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -1.640 3.976 9.629 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -2.325 3.454 11.171 1.00 0.00 H new ATOM 142 N VAL A 12 1.438 1.977 6.256 1.00 0.00 N ATOM 143 CA VAL A 12 2.750 2.382 5.782 1.00 0.00 C ATOM 144 C VAL A 12 3.652 2.679 6.982 1.00 0.00 C ATOM 145 O VAL A 12 3.270 3.429 7.879 1.00 0.00 O ATOM 146 CB VAL A 12 2.617 3.569 4.826 1.00 0.00 C ATOM 147 CG1 VAL A 12 3.894 4.413 4.819 1.00 0.00 C ATOM 148 CG2 VAL A 12 2.263 3.099 3.414 1.00 0.00 C ATOM 0 H VAL A 12 0.803 2.748 6.463 1.00 0.00 H new ATOM 0 HA VAL A 12 3.217 1.576 5.216 1.00 0.00 H new ATOM 0 HB VAL A 12 1.802 4.198 5.184 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.773 5.250 4.131 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.085 4.793 5.823 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.735 3.798 4.498 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.174 3.962 2.755 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.047 2.438 3.043 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.315 2.561 3.437 1.00 0.00 H new ATOM 158 N ALA A 13 4.831 2.075 6.960 1.00 0.00 N ATOM 159 CA ALA A 13 5.789 2.265 8.035 1.00 0.00 C ATOM 160 C ALA A 13 6.887 3.224 7.569 1.00 0.00 C ATOM 161 O ALA A 13 7.607 3.793 8.388 1.00 0.00 O ATOM 162 CB ALA A 13 6.347 0.907 8.468 1.00 0.00 C ATOM 0 H ALA A 13 5.144 1.454 6.214 1.00 0.00 H new ATOM 0 HA ALA A 13 5.307 2.712 8.905 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.066 1.050 9.275 1.00 0.00 H new ATOM 0 HB2 ALA A 13 5.532 0.273 8.816 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.841 0.430 7.622 1.00 0.00 H new ATOM 168 N PHE A 14 6.980 3.374 6.256 1.00 0.00 N ATOM 169 CA PHE A 14 7.977 4.255 5.673 1.00 0.00 C ATOM 170 C PHE A 14 7.383 5.071 4.523 1.00 0.00 C ATOM 171 O PHE A 14 6.932 4.509 3.526 1.00 0.00 O ATOM 172 CB PHE A 14 9.095 3.364 5.125 1.00 0.00 C ATOM 173 CG PHE A 14 9.366 2.117 5.969 1.00 0.00 C ATOM 174 CD1 PHE A 14 8.616 0.997 5.789 1.00 0.00 C ATOM 175 CD2 PHE A 14 10.358 2.128 6.899 1.00 0.00 C ATOM 176 CE1 PHE A 14 8.868 -0.160 6.572 1.00 0.00 C ATOM 177 CE2 PHE A 14 10.610 0.971 7.683 1.00 0.00 C ATOM 178 CZ PHE A 14 9.859 -0.149 7.502 1.00 0.00 C ATOM 0 H PHE A 14 6.381 2.900 5.580 1.00 0.00 H new ATOM 0 HA PHE A 14 8.343 4.952 6.427 1.00 0.00 H new ATOM 0 HB2 PHE A 14 8.836 3.056 4.112 1.00 0.00 H new ATOM 0 HB3 PHE A 14 10.012 3.950 5.056 1.00 0.00 H new ATOM 0 HD1 PHE A 14 7.828 0.988 5.050 1.00 0.00 H new ATOM 0 HD2 PHE A 14 10.954 3.017 7.041 1.00 0.00 H new ATOM 0 HE1 PHE A 14 8.272 -1.049 6.429 1.00 0.00 H new ATOM 0 HE2 PHE A 14 11.397 0.980 8.422 1.00 0.00 H new ATOM 0 HZ PHE A 14 10.050 -1.029 8.097 1.00 0.00 H new ATOM 188 N SER A 15 7.401 6.384 4.701 1.00 0.00 N ATOM 189 CA SER A 15 6.869 7.283 3.691 1.00 0.00 C ATOM 190 C SER A 15 7.643 7.116 2.381 1.00 0.00 C ATOM 191 O SER A 15 8.873 7.088 2.382 1.00 0.00 O ATOM 192 CB SER A 15 6.931 8.737 4.161 1.00 0.00 C ATOM 193 OG SER A 15 8.219 9.083 4.661 1.00 0.00 O ATOM 0 H SER A 15 7.776 6.847 5.529 1.00 0.00 H new ATOM 0 HA SER A 15 5.823 7.027 3.523 1.00 0.00 H new ATOM 0 HB2 SER A 15 6.675 9.397 3.332 1.00 0.00 H new ATOM 0 HB3 SER A 15 6.185 8.898 4.939 1.00 0.00 H new ATOM 0 HG SER A 15 8.217 10.020 4.949 1.00 0.00 H new ATOM 199 N TYR A 16 6.891 7.007 1.296 1.00 0.00 N ATOM 200 CA TYR A 16 7.490 6.843 -0.017 1.00 0.00 C ATOM 201 C TYR A 16 7.006 7.929 -0.981 1.00 0.00 C ATOM 202 O TYR A 16 5.803 8.116 -1.156 1.00 0.00 O ATOM 203 CB TYR A 16 7.022 5.479 -0.527 1.00 0.00 C ATOM 204 CG TYR A 16 7.448 5.172 -1.964 1.00 0.00 C ATOM 205 CD1 TYR A 16 6.719 5.676 -3.023 1.00 0.00 C ATOM 206 CD2 TYR A 16 8.561 4.392 -2.202 1.00 0.00 C ATOM 207 CE1 TYR A 16 7.120 5.387 -4.375 1.00 0.00 C ATOM 208 CE2 TYR A 16 8.962 4.103 -3.555 1.00 0.00 C ATOM 209 CZ TYR A 16 8.222 4.615 -4.574 1.00 0.00 C ATOM 210 OH TYR A 16 8.601 4.342 -5.852 1.00 0.00 O ATOM 0 H TYR A 16 5.871 7.029 1.300 1.00 0.00 H new ATOM 0 HA TYR A 16 8.576 6.916 0.045 1.00 0.00 H new ATOM 0 HB2 TYR A 16 7.413 4.703 0.131 1.00 0.00 H new ATOM 0 HB3 TYR A 16 5.935 5.432 -0.463 1.00 0.00 H new ATOM 0 HD1 TYR A 16 5.848 6.287 -2.837 1.00 0.00 H new ATOM 0 HD2 TYR A 16 9.132 3.998 -1.374 1.00 0.00 H new ATOM 0 HE1 TYR A 16 6.559 5.774 -5.212 1.00 0.00 H new ATOM 0 HE2 TYR A 16 9.831 3.493 -3.755 1.00 0.00 H new ATOM 0 HH TYR A 16 8.487 5.143 -6.405 1.00 0.00 H new ATOM 220 N LEU A 17 7.967 8.616 -1.579 1.00 0.00 N ATOM 221 CA LEU A 17 7.654 9.677 -2.521 1.00 0.00 C ATOM 222 C LEU A 17 7.756 9.135 -3.947 1.00 0.00 C ATOM 223 O LEU A 17 8.759 8.525 -4.313 1.00 0.00 O ATOM 224 CB LEU A 17 8.537 10.900 -2.263 1.00 0.00 C ATOM 225 CG LEU A 17 8.342 11.596 -0.915 1.00 0.00 C ATOM 226 CD1 LEU A 17 7.128 12.527 -0.949 1.00 0.00 C ATOM 227 CD2 LEU A 17 8.250 10.576 0.221 1.00 0.00 C ATOM 0 H LEU A 17 8.964 8.459 -1.430 1.00 0.00 H new ATOM 0 HA LEU A 17 6.628 10.018 -2.383 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.580 10.594 -2.344 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.356 11.627 -3.054 1.00 0.00 H new ATOM 0 HG LEU A 17 9.218 12.215 -0.721 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.012 13.009 0.022 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.274 13.287 -1.717 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.232 11.949 -1.176 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.112 11.098 1.168 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.404 9.911 0.046 1.00 0.00 H new ATOM 0 HD23 LEU A 17 9.169 9.991 0.260 1.00 0.00 H new ATOM 239 N PRO A 18 6.675 9.382 -4.735 1.00 0.00 N ATOM 240 CA PRO A 18 6.633 8.925 -6.114 1.00 0.00 C ATOM 241 C PRO A 18 7.525 9.791 -7.006 1.00 0.00 C ATOM 242 O PRO A 18 7.247 10.973 -7.207 1.00 0.00 O ATOM 243 CB PRO A 18 5.165 8.985 -6.504 1.00 0.00 C ATOM 244 CG PRO A 18 4.503 9.908 -5.493 1.00 0.00 C ATOM 245 CD PRO A 18 5.468 10.101 -4.335 1.00 0.00 C ATOM 0 HA PRO A 18 7.022 7.914 -6.234 1.00 0.00 H new ATOM 0 HB2 PRO A 18 5.045 9.366 -7.518 1.00 0.00 H new ATOM 0 HB3 PRO A 18 4.714 7.993 -6.481 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.262 10.867 -5.952 1.00 0.00 H new ATOM 0 HG3 PRO A 18 3.565 9.478 -5.141 1.00 0.00 H new ATOM 0 HD2 PRO A 18 5.675 11.157 -4.164 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.058 9.702 -3.407 1.00 0.00 H new ATOM 253 N GLN A 19 8.578 9.170 -7.516 1.00 0.00 N ATOM 254 CA GLN A 19 9.512 9.870 -8.382 1.00 0.00 C ATOM 255 C GLN A 19 8.939 9.989 -9.795 1.00 0.00 C ATOM 256 O GLN A 19 9.618 10.459 -10.707 1.00 0.00 O ATOM 257 CB GLN A 19 10.873 9.171 -8.399 1.00 0.00 C ATOM 258 CG GLN A 19 11.260 8.690 -6.999 1.00 0.00 C ATOM 259 CD GLN A 19 12.610 9.271 -6.574 1.00 0.00 C ATOM 260 OE1 GLN A 19 12.694 10.261 -5.866 1.00 0.00 O ATOM 261 NE2 GLN A 19 13.659 8.601 -7.045 1.00 0.00 N ATOM 0 H GLN A 19 8.805 8.190 -7.346 1.00 0.00 H new ATOM 0 HA GLN A 19 9.661 10.875 -7.986 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.842 8.323 -9.083 1.00 0.00 H new ATOM 0 HB3 GLN A 19 11.633 9.856 -8.775 1.00 0.00 H new ATOM 0 HG2 GLN A 19 10.492 8.985 -6.284 1.00 0.00 H new ATOM 0 HG3 GLN A 19 11.308 7.601 -6.985 1.00 0.00 H new ATOM 0 HE21 GLN A 19 13.517 7.780 -7.633 1.00 0.00 H new ATOM 0 HE22 GLN A 19 14.605 8.909 -6.818 1.00 0.00 H new ATOM 270 N ASN A 20 7.695 9.554 -9.933 1.00 0.00 N ATOM 271 CA ASN A 20 7.022 9.606 -11.221 1.00 0.00 C ATOM 272 C ASN A 20 5.657 10.274 -11.051 1.00 0.00 C ATOM 273 O ASN A 20 5.439 11.017 -10.095 1.00 0.00 O ATOM 274 CB ASN A 20 6.795 8.200 -11.780 1.00 0.00 C ATOM 275 CG ASN A 20 7.972 7.281 -11.448 1.00 0.00 C ATOM 276 OD1 ASN A 20 8.102 6.769 -10.348 1.00 0.00 O ATOM 277 ND2 ASN A 20 8.819 7.101 -12.457 1.00 0.00 N ATOM 0 H ASN A 20 7.135 9.164 -9.175 1.00 0.00 H new ATOM 0 HA ASN A 20 7.652 10.170 -11.909 1.00 0.00 H new ATOM 0 HB2 ASN A 20 5.876 7.784 -11.366 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.663 8.251 -12.861 1.00 0.00 H new ATOM 0 HD21 ASN A 20 9.637 6.504 -12.336 1.00 0.00 H new ATOM 0 HD22 ASN A 20 8.651 7.560 -13.352 1.00 0.00 H new ATOM 284 N ASP A 21 4.771 9.986 -11.994 1.00 0.00 N ATOM 285 CA ASP A 21 3.433 10.550 -11.961 1.00 0.00 C ATOM 286 C ASP A 21 2.406 9.419 -12.055 1.00 0.00 C ATOM 287 O ASP A 21 1.251 9.653 -12.410 1.00 0.00 O ATOM 288 CB ASP A 21 3.204 11.495 -13.142 1.00 0.00 C ATOM 289 CG ASP A 21 2.454 12.785 -12.802 1.00 0.00 C ATOM 290 OD1 ASP A 21 3.134 13.738 -12.365 1.00 0.00 O ATOM 291 OD2 ASP A 21 1.218 12.788 -12.987 1.00 0.00 O ATOM 0 H ASP A 21 4.954 9.369 -12.785 1.00 0.00 H new ATOM 0 HA ASP A 21 3.324 11.105 -11.029 1.00 0.00 H new ATOM 0 HB2 ASP A 21 4.171 11.757 -13.571 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.648 10.961 -13.912 1.00 0.00 H new ATOM 296 N ASP A 22 2.863 8.219 -11.731 1.00 0.00 N ATOM 297 CA ASP A 22 1.998 7.052 -11.774 1.00 0.00 C ATOM 298 C ASP A 22 2.284 6.166 -10.560 1.00 0.00 C ATOM 299 O ASP A 22 1.862 5.011 -10.517 1.00 0.00 O ATOM 300 CB ASP A 22 2.254 6.223 -13.034 1.00 0.00 C ATOM 301 CG ASP A 22 1.031 5.484 -13.581 1.00 0.00 C ATOM 302 OD1 ASP A 22 -0.092 5.916 -13.243 1.00 0.00 O ATOM 303 OD2 ASP A 22 1.247 4.503 -14.325 1.00 0.00 O ATOM 0 H ASP A 22 3.821 8.029 -11.437 1.00 0.00 H new ATOM 0 HA ASP A 22 0.964 7.398 -11.773 1.00 0.00 H new ATOM 0 HB2 ASP A 22 2.640 6.882 -13.812 1.00 0.00 H new ATOM 0 HB3 ASP A 22 3.034 5.493 -12.818 1.00 0.00 H new ATOM 308 N GLU A 23 2.998 6.740 -9.603 1.00 0.00 N ATOM 309 CA GLU A 23 3.344 6.017 -8.391 1.00 0.00 C ATOM 310 C GLU A 23 2.532 6.546 -7.207 1.00 0.00 C ATOM 311 O GLU A 23 2.022 7.664 -7.249 1.00 0.00 O ATOM 312 CB GLU A 23 4.846 6.106 -8.110 1.00 0.00 C ATOM 313 CG GLU A 23 5.580 4.882 -8.661 1.00 0.00 C ATOM 314 CD GLU A 23 6.683 4.427 -7.703 1.00 0.00 C ATOM 315 OE1 GLU A 23 6.325 4.035 -6.571 1.00 0.00 O ATOM 316 OE2 GLU A 23 7.858 4.482 -8.124 1.00 0.00 O ATOM 0 H GLU A 23 3.347 7.698 -9.642 1.00 0.00 H new ATOM 0 HA GLU A 23 3.096 4.965 -8.535 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.251 7.011 -8.562 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.015 6.183 -7.036 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.871 4.069 -8.818 1.00 0.00 H new ATOM 0 HG3 GLU A 23 6.013 5.120 -9.633 1.00 0.00 H new ATOM 323 N LEU A 24 2.439 5.717 -6.178 1.00 0.00 N ATOM 324 CA LEU A 24 1.698 6.086 -4.984 1.00 0.00 C ATOM 325 C LEU A 24 2.650 6.738 -3.979 1.00 0.00 C ATOM 326 O LEU A 24 3.826 6.384 -3.913 1.00 0.00 O ATOM 327 CB LEU A 24 0.946 4.877 -4.423 1.00 0.00 C ATOM 328 CG LEU A 24 -0.465 4.653 -4.970 1.00 0.00 C ATOM 329 CD1 LEU A 24 -1.223 3.627 -4.125 1.00 0.00 C ATOM 330 CD2 LEU A 24 -1.226 5.975 -5.084 1.00 0.00 C ATOM 0 H LEU A 24 2.865 4.791 -6.146 1.00 0.00 H new ATOM 0 HA LEU A 24 0.933 6.824 -5.225 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.537 3.983 -4.620 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.882 4.984 -3.340 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.380 4.243 -5.976 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.223 3.486 -4.535 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.688 2.678 -4.139 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.299 3.986 -3.099 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.226 5.787 -5.475 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.303 6.437 -4.100 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.693 6.645 -5.758 1.00 0.00 H new ATOM 342 N GLU A 25 2.106 7.679 -3.221 1.00 0.00 N ATOM 343 CA GLU A 25 2.893 8.384 -2.223 1.00 0.00 C ATOM 344 C GLU A 25 2.571 7.855 -0.824 1.00 0.00 C ATOM 345 O GLU A 25 1.584 8.265 -0.214 1.00 0.00 O ATOM 346 CB GLU A 25 2.659 9.893 -2.306 1.00 0.00 C ATOM 347 CG GLU A 25 3.418 10.628 -1.199 1.00 0.00 C ATOM 348 CD GLU A 25 3.124 12.129 -1.235 1.00 0.00 C ATOM 349 OE1 GLU A 25 2.031 12.504 -0.759 1.00 0.00 O ATOM 350 OE2 GLU A 25 3.999 12.866 -1.739 1.00 0.00 O ATOM 0 H GLU A 25 1.130 7.970 -3.278 1.00 0.00 H new ATOM 0 HA GLU A 25 3.949 8.202 -2.425 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.982 10.262 -3.280 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.593 10.104 -2.223 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.135 10.222 -0.228 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.489 10.461 -1.315 1.00 0.00 H new ATOM 357 N LEU A 26 3.422 6.954 -0.356 1.00 0.00 N ATOM 358 CA LEU A 26 3.240 6.365 0.960 1.00 0.00 C ATOM 359 C LEU A 26 3.620 7.391 2.029 1.00 0.00 C ATOM 360 O LEU A 26 4.562 8.160 1.850 1.00 0.00 O ATOM 361 CB LEU A 26 4.012 5.049 1.069 1.00 0.00 C ATOM 362 CG LEU A 26 3.934 4.123 -0.146 1.00 0.00 C ATOM 363 CD1 LEU A 26 4.929 2.967 -0.020 1.00 0.00 C ATOM 364 CD2 LEU A 26 2.504 3.626 -0.366 1.00 0.00 C ATOM 0 H LEU A 26 4.240 6.617 -0.865 1.00 0.00 H new ATOM 0 HA LEU A 26 2.193 6.108 1.121 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.060 5.280 1.258 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.644 4.506 1.939 1.00 0.00 H new ATOM 0 HG LEU A 26 4.216 4.696 -1.030 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.853 2.324 -0.897 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.941 3.365 0.052 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.703 2.388 0.875 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.477 2.970 -1.236 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.170 3.076 0.514 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.845 4.478 -0.533 1.00 0.00 H new ATOM 376 N LYS A 27 2.866 7.369 3.119 1.00 0.00 N ATOM 377 CA LYS A 27 3.111 8.288 4.217 1.00 0.00 C ATOM 378 C LYS A 27 2.894 7.559 5.545 1.00 0.00 C ATOM 379 O LYS A 27 1.804 7.055 5.809 1.00 0.00 O ATOM 380 CB LYS A 27 2.259 9.549 4.062 1.00 0.00 C ATOM 381 CG LYS A 27 3.070 10.686 3.437 1.00 0.00 C ATOM 382 CD LYS A 27 3.358 11.783 4.464 1.00 0.00 C ATOM 383 CE LYS A 27 4.706 12.452 4.189 1.00 0.00 C ATOM 384 NZ LYS A 27 4.548 13.556 3.217 1.00 0.00 N ATOM 0 H LYS A 27 2.085 6.729 3.265 1.00 0.00 H new ATOM 0 HA LYS A 27 4.147 8.628 4.204 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.391 9.332 3.439 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.882 9.859 5.036 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.009 10.295 3.044 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.523 11.107 2.594 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.565 12.530 4.435 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.358 11.356 5.467 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.125 12.836 5.119 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.411 11.717 3.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.472 13.999 3.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.169 13.181 2.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.891 14.265 3.601 1.00 0.00 H new ATOM 398 N VAL A 28 3.950 7.525 6.344 1.00 0.00 N ATOM 399 CA VAL A 28 3.889 6.865 7.637 1.00 0.00 C ATOM 400 C VAL A 28 2.504 7.082 8.251 1.00 0.00 C ATOM 401 O VAL A 28 2.182 8.185 8.692 1.00 0.00 O ATOM 402 CB VAL A 28 5.024 7.364 8.534 1.00 0.00 C ATOM 403 CG1 VAL A 28 4.923 6.759 9.935 1.00 0.00 C ATOM 404 CG2 VAL A 28 6.388 7.070 7.906 1.00 0.00 C ATOM 0 H VAL A 28 4.853 7.944 6.121 1.00 0.00 H new ATOM 0 HA VAL A 28 4.030 5.790 7.523 1.00 0.00 H new ATOM 0 HB VAL A 28 4.925 8.445 8.629 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.742 7.130 10.552 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.972 7.042 10.386 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.984 5.673 9.867 1.00 0.00 H new ATOM 0 HG21 VAL A 28 7.177 7.435 8.563 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.500 5.995 7.766 1.00 0.00 H new ATOM 0 HG23 VAL A 28 6.460 7.571 6.941 1.00 0.00 H new ATOM 414 N GLY A 29 1.721 6.013 8.258 1.00 0.00 N ATOM 415 CA GLY A 29 0.378 6.073 8.810 1.00 0.00 C ATOM 416 C GLY A 29 -0.671 6.091 7.697 1.00 0.00 C ATOM 417 O GLY A 29 -1.763 6.628 7.877 1.00 0.00 O ATOM 0 H GLY A 29 1.991 5.101 7.890 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.209 5.214 9.460 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.274 6.965 9.427 1.00 0.00 H new ATOM 421 N ASP A 30 -0.304 5.496 6.571 1.00 0.00 N ATOM 422 CA ASP A 30 -1.200 5.436 5.429 1.00 0.00 C ATOM 423 C ASP A 30 -1.971 4.115 5.460 1.00 0.00 C ATOM 424 O ASP A 30 -1.662 3.230 6.256 1.00 0.00 O ATOM 425 CB ASP A 30 -0.421 5.499 4.114 1.00 0.00 C ATOM 426 CG ASP A 30 -0.607 4.291 3.194 1.00 0.00 C ATOM 427 OD1 ASP A 30 -0.350 3.166 3.676 1.00 0.00 O ATOM 428 OD2 ASP A 30 -1.001 4.519 2.030 1.00 0.00 O ATOM 0 H ASP A 30 0.602 5.051 6.426 1.00 0.00 H new ATOM 0 HA ASP A 30 -1.878 6.287 5.487 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -0.721 6.397 3.574 1.00 0.00 H new ATOM 0 HB3 ASP A 30 0.640 5.603 4.342 1.00 0.00 H new ATOM 433 N ILE A 31 -2.959 4.023 4.582 1.00 0.00 N ATOM 434 CA ILE A 31 -3.777 2.825 4.498 1.00 0.00 C ATOM 435 C ILE A 31 -4.192 2.596 3.044 1.00 0.00 C ATOM 436 O ILE A 31 -5.220 3.105 2.601 1.00 0.00 O ATOM 437 CB ILE A 31 -4.957 2.912 5.468 1.00 0.00 C ATOM 438 CG1 ILE A 31 -4.473 3.131 6.903 1.00 0.00 C ATOM 439 CG2 ILE A 31 -5.857 1.681 5.349 1.00 0.00 C ATOM 440 CD1 ILE A 31 -5.551 2.732 7.913 1.00 0.00 C ATOM 0 H ILE A 31 -3.212 4.759 3.922 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.204 1.951 4.807 1.00 0.00 H new ATOM 0 HB ILE A 31 -5.559 3.779 5.195 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.570 2.546 7.079 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.207 4.178 7.045 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -6.688 1.769 6.049 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -6.245 1.611 4.333 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -5.281 0.785 5.580 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -5.181 2.898 8.925 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -6.444 3.336 7.750 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -5.797 1.678 7.785 1.00 0.00 H new ATOM 452 N ILE A 32 -3.370 1.831 2.341 1.00 0.00 N ATOM 453 CA ILE A 32 -3.640 1.529 0.945 1.00 0.00 C ATOM 454 C ILE A 32 -4.452 0.236 0.855 1.00 0.00 C ATOM 455 O ILE A 32 -3.958 -0.838 1.197 1.00 0.00 O ATOM 456 CB ILE A 32 -2.337 1.493 0.144 1.00 0.00 C ATOM 457 CG1 ILE A 32 -1.874 2.907 -0.214 1.00 0.00 C ATOM 458 CG2 ILE A 32 -2.478 0.606 -1.095 1.00 0.00 C ATOM 459 CD1 ILE A 32 -0.360 3.047 -0.049 1.00 0.00 C ATOM 0 H ILE A 32 -2.517 1.411 2.711 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.244 2.317 0.495 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.564 1.049 0.771 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.154 3.136 -1.242 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.381 3.632 0.423 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.538 0.598 -1.646 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -2.727 -0.410 -0.789 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.270 0.997 -1.734 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.058 4.061 -0.310 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.086 2.842 0.986 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.145 2.338 -0.705 1.00 0.00 H new ATOM 471 N GLU A 33 -5.685 0.380 0.392 1.00 0.00 N ATOM 472 CA GLU A 33 -6.571 -0.763 0.253 1.00 0.00 C ATOM 473 C GLU A 33 -6.045 -1.715 -0.823 1.00 0.00 C ATOM 474 O GLU A 33 -6.463 -1.645 -1.977 1.00 0.00 O ATOM 475 CB GLU A 33 -7.999 -0.314 -0.063 1.00 0.00 C ATOM 476 CG GLU A 33 -8.805 -0.102 1.220 1.00 0.00 C ATOM 477 CD GLU A 33 -9.534 1.242 1.194 1.00 0.00 C ATOM 478 OE1 GLU A 33 -10.614 1.290 0.566 1.00 0.00 O ATOM 479 OE2 GLU A 33 -8.996 2.192 1.802 1.00 0.00 O ATOM 0 H GLU A 33 -6.091 1.271 0.108 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.595 -1.297 1.203 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -7.974 0.612 -0.638 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -8.490 -1.062 -0.685 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -9.528 -0.909 1.337 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.140 -0.142 2.082 1.00 0.00 H new ATOM 486 N VAL A 34 -5.134 -2.582 -0.406 1.00 0.00 N ATOM 487 CA VAL A 34 -4.545 -3.546 -1.320 1.00 0.00 C ATOM 488 C VAL A 34 -5.649 -4.167 -2.179 1.00 0.00 C ATOM 489 O VAL A 34 -6.497 -4.900 -1.672 1.00 0.00 O ATOM 490 CB VAL A 34 -3.741 -4.586 -0.537 1.00 0.00 C ATOM 491 CG1 VAL A 34 -3.125 -5.624 -1.476 1.00 0.00 C ATOM 492 CG2 VAL A 34 -2.665 -3.915 0.320 1.00 0.00 C ATOM 0 H VAL A 34 -4.789 -2.637 0.552 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.845 -3.054 -1.995 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.427 -5.105 0.132 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.559 -6.351 -0.894 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.917 -6.135 -2.023 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.459 -5.127 -2.181 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.108 -4.676 0.866 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.983 -3.358 -0.322 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.136 -3.233 1.027 1.00 0.00 H new ATOM 502 N VAL A 35 -5.601 -3.852 -3.465 1.00 0.00 N ATOM 503 CA VAL A 35 -6.586 -4.370 -4.399 1.00 0.00 C ATOM 504 C VAL A 35 -6.007 -5.589 -5.120 1.00 0.00 C ATOM 505 O VAL A 35 -6.681 -6.608 -5.263 1.00 0.00 O ATOM 506 CB VAL A 35 -7.030 -3.264 -5.358 1.00 0.00 C ATOM 507 CG1 VAL A 35 -7.638 -2.087 -4.593 1.00 0.00 C ATOM 508 CG2 VAL A 35 -5.868 -2.804 -6.240 1.00 0.00 C ATOM 0 H VAL A 35 -4.896 -3.245 -3.882 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.479 -4.700 -3.868 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.802 -3.675 -6.009 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -7.945 -1.315 -5.298 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.505 -2.429 -4.029 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.897 -1.677 -3.907 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.211 -2.017 -6.912 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.064 -2.420 -5.612 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.500 -3.647 -6.825 1.00 0.00 H new ATOM 518 N GLY A 36 -4.764 -5.444 -5.555 1.00 0.00 N ATOM 519 CA GLY A 36 -4.087 -6.521 -6.258 1.00 0.00 C ATOM 520 C GLY A 36 -2.573 -6.442 -6.053 1.00 0.00 C ATOM 521 O GLY A 36 -2.106 -6.108 -4.965 1.00 0.00 O ATOM 0 H GLY A 36 -4.208 -4.597 -5.434 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.456 -7.482 -5.901 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.317 -6.467 -7.322 1.00 0.00 H new ATOM 525 N GLU A 37 -1.847 -6.755 -7.117 1.00 0.00 N ATOM 526 CA GLU A 37 -0.395 -6.724 -7.067 1.00 0.00 C ATOM 527 C GLU A 37 0.177 -6.407 -8.451 1.00 0.00 C ATOM 528 O GLU A 37 -0.297 -6.933 -9.457 1.00 0.00 O ATOM 529 CB GLU A 37 0.164 -8.044 -6.532 1.00 0.00 C ATOM 530 CG GLU A 37 1.649 -8.189 -6.873 1.00 0.00 C ATOM 531 CD GLU A 37 1.848 -9.124 -8.067 1.00 0.00 C ATOM 532 OE1 GLU A 37 0.927 -9.173 -8.910 1.00 0.00 O ATOM 533 OE2 GLU A 37 2.918 -9.769 -8.110 1.00 0.00 O ATOM 0 H GLU A 37 -2.237 -7.031 -8.018 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.091 -5.934 -6.380 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.029 -8.089 -5.451 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.394 -8.878 -6.957 1.00 0.00 H new ATOM 0 HG2 GLU A 37 2.071 -7.210 -7.099 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.188 -8.577 -6.009 1.00 0.00 H new ATOM 540 N VAL A 38 1.186 -5.549 -8.457 1.00 0.00 N ATOM 541 CA VAL A 38 1.827 -5.156 -9.700 1.00 0.00 C ATOM 542 C VAL A 38 2.881 -6.199 -10.077 1.00 0.00 C ATOM 543 O VAL A 38 2.689 -6.968 -11.018 1.00 0.00 O ATOM 544 CB VAL A 38 2.403 -3.744 -9.569 1.00 0.00 C ATOM 545 CG1 VAL A 38 2.850 -3.206 -10.929 1.00 0.00 C ATOM 546 CG2 VAL A 38 1.395 -2.800 -8.910 1.00 0.00 C ATOM 0 H VAL A 38 1.576 -5.115 -7.620 1.00 0.00 H new ATOM 0 HA VAL A 38 1.099 -5.121 -10.511 1.00 0.00 H new ATOM 0 HB VAL A 38 3.281 -3.799 -8.926 1.00 0.00 H new ATOM 0 HG11 VAL A 38 3.255 -2.201 -10.808 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.618 -3.859 -11.344 1.00 0.00 H new ATOM 0 HG13 VAL A 38 1.996 -3.173 -11.606 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.829 -1.803 -8.829 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.490 -2.753 -9.516 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.147 -3.170 -7.915 1.00 0.00 H new ATOM 556 N GLU A 39 3.971 -6.191 -9.325 1.00 0.00 N ATOM 557 CA GLU A 39 5.056 -7.126 -9.568 1.00 0.00 C ATOM 558 C GLU A 39 5.726 -7.517 -8.249 1.00 0.00 C ATOM 559 O GLU A 39 5.406 -6.964 -7.198 1.00 0.00 O ATOM 560 CB GLU A 39 6.075 -6.541 -10.548 1.00 0.00 C ATOM 561 CG GLU A 39 6.578 -5.178 -10.068 1.00 0.00 C ATOM 562 CD GLU A 39 7.542 -4.561 -11.083 1.00 0.00 C ATOM 563 OE1 GLU A 39 8.368 -5.330 -11.621 1.00 0.00 O ATOM 564 OE2 GLU A 39 7.432 -3.335 -11.298 1.00 0.00 O ATOM 0 H GLU A 39 4.126 -5.551 -8.546 1.00 0.00 H new ATOM 0 HA GLU A 39 4.639 -8.025 -10.022 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.916 -7.226 -10.655 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.620 -6.438 -11.533 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.732 -4.509 -9.911 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.079 -5.289 -9.106 1.00 0.00 H new ATOM 571 N GLU A 40 6.644 -8.468 -8.348 1.00 0.00 N ATOM 572 CA GLU A 40 7.362 -8.939 -7.176 1.00 0.00 C ATOM 573 C GLU A 40 7.954 -7.757 -6.405 1.00 0.00 C ATOM 574 O GLU A 40 8.816 -7.046 -6.920 1.00 0.00 O ATOM 575 CB GLU A 40 8.450 -9.941 -7.566 1.00 0.00 C ATOM 576 CG GLU A 40 8.900 -10.760 -6.354 1.00 0.00 C ATOM 577 CD GLU A 40 10.422 -10.721 -6.201 1.00 0.00 C ATOM 578 OE1 GLU A 40 10.965 -9.596 -6.213 1.00 0.00 O ATOM 579 OE2 GLU A 40 11.008 -11.818 -6.075 1.00 0.00 O ATOM 0 H GLU A 40 6.907 -8.925 -9.221 1.00 0.00 H new ATOM 0 HA GLU A 40 6.657 -9.455 -6.524 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.074 -10.608 -8.341 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.303 -9.411 -7.988 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.430 -10.369 -5.452 1.00 0.00 H new ATOM 0 HG3 GLU A 40 8.568 -11.792 -6.465 1.00 0.00 H new ATOM 586 N GLY A 41 7.469 -7.584 -5.185 1.00 0.00 N ATOM 587 CA GLY A 41 7.940 -6.501 -4.339 1.00 0.00 C ATOM 588 C GLY A 41 7.097 -5.240 -4.541 1.00 0.00 C ATOM 589 O GLY A 41 7.262 -4.256 -3.822 1.00 0.00 O ATOM 0 H GLY A 41 6.754 -8.176 -4.762 1.00 0.00 H new ATOM 0 HA2 GLY A 41 7.898 -6.807 -3.294 1.00 0.00 H new ATOM 0 HA3 GLY A 41 8.984 -6.285 -4.566 1.00 0.00 H new ATOM 593 N TRP A 42 6.211 -5.311 -5.524 1.00 0.00 N ATOM 594 CA TRP A 42 5.342 -4.188 -5.831 1.00 0.00 C ATOM 595 C TRP A 42 3.895 -4.685 -5.789 1.00 0.00 C ATOM 596 O TRP A 42 3.565 -5.698 -6.404 1.00 0.00 O ATOM 597 CB TRP A 42 5.718 -3.554 -7.171 1.00 0.00 C ATOM 598 CG TRP A 42 7.032 -2.772 -7.143 1.00 0.00 C ATOM 599 CD1 TRP A 42 8.281 -3.255 -7.192 1.00 0.00 C ATOM 600 CD2 TRP A 42 7.178 -1.339 -7.056 1.00 0.00 C ATOM 601 NE1 TRP A 42 9.218 -2.243 -7.144 1.00 0.00 N ATOM 602 CE2 TRP A 42 8.526 -1.040 -7.058 1.00 0.00 C ATOM 603 CE3 TRP A 42 6.204 -0.328 -6.978 1.00 0.00 C ATOM 604 CZ2 TRP A 42 9.021 0.267 -6.985 1.00 0.00 C ATOM 605 CZ3 TRP A 42 6.716 0.973 -6.905 1.00 0.00 C ATOM 606 CH2 TRP A 42 8.069 1.290 -6.906 1.00 0.00 C ATOM 0 H TRP A 42 6.076 -6.129 -6.118 1.00 0.00 H new ATOM 0 HA TRP A 42 5.460 -3.396 -5.092 1.00 0.00 H new ATOM 0 HB2 TRP A 42 5.790 -4.338 -7.925 1.00 0.00 H new ATOM 0 HB3 TRP A 42 4.916 -2.885 -7.483 1.00 0.00 H new ATOM 0 HD1 TRP A 42 8.524 -4.305 -7.260 1.00 0.00 H new ATOM 0 HE1 TRP A 42 10.231 -2.357 -7.167 1.00 0.00 H new ATOM 0 HE3 TRP A 42 5.145 -0.538 -6.975 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 10.081 0.475 -6.989 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 6.010 1.788 -6.844 1.00 0.00 H new ATOM 0 HH2 TRP A 42 8.385 2.321 -6.846 1.00 0.00 H new ATOM 617 N TRP A 43 3.071 -3.949 -5.057 1.00 0.00 N ATOM 618 CA TRP A 43 1.668 -4.302 -4.927 1.00 0.00 C ATOM 619 C TRP A 43 0.835 -3.131 -5.453 1.00 0.00 C ATOM 620 O TRP A 43 1.356 -2.035 -5.655 1.00 0.00 O ATOM 621 CB TRP A 43 1.328 -4.677 -3.484 1.00 0.00 C ATOM 622 CG TRP A 43 1.860 -6.046 -3.054 1.00 0.00 C ATOM 623 CD1 TRP A 43 2.393 -7.003 -3.826 1.00 0.00 C ATOM 624 CD2 TRP A 43 1.888 -6.575 -1.712 1.00 0.00 C ATOM 625 NE1 TRP A 43 2.761 -8.105 -3.083 1.00 0.00 N ATOM 626 CE2 TRP A 43 2.444 -7.837 -1.756 1.00 0.00 C ATOM 627 CE3 TRP A 43 1.457 -6.006 -0.501 1.00 0.00 C ATOM 628 CZ2 TRP A 43 2.622 -8.637 -0.621 1.00 0.00 C ATOM 629 CZ3 TRP A 43 1.641 -6.818 0.625 1.00 0.00 C ATOM 630 CH2 TRP A 43 2.200 -8.090 0.597 1.00 0.00 C ATOM 0 H TRP A 43 3.349 -3.110 -4.548 1.00 0.00 H new ATOM 0 HA TRP A 43 1.437 -5.187 -5.519 1.00 0.00 H new ATOM 0 HB2 TRP A 43 1.732 -3.916 -2.817 1.00 0.00 H new ATOM 0 HB3 TRP A 43 0.245 -4.665 -3.362 1.00 0.00 H new ATOM 0 HD1 TRP A 43 2.519 -6.921 -4.896 1.00 0.00 H new ATOM 0 HE1 TRP A 43 3.187 -8.960 -3.441 1.00 0.00 H new ATOM 0 HE3 TRP A 43 1.019 -5.021 -0.444 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.061 -9.622 -0.681 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.327 -6.428 1.582 1.00 0.00 H new ATOM 0 HH2 TRP A 43 2.309 -8.655 1.511 1.00 0.00 H new ATOM 641 N GLU A 44 -0.445 -3.402 -5.659 1.00 0.00 N ATOM 642 CA GLU A 44 -1.355 -2.385 -6.157 1.00 0.00 C ATOM 643 C GLU A 44 -2.519 -2.190 -5.183 1.00 0.00 C ATOM 644 O GLU A 44 -3.171 -3.156 -4.789 1.00 0.00 O ATOM 645 CB GLU A 44 -1.864 -2.741 -7.555 1.00 0.00 C ATOM 646 CG GLU A 44 -2.231 -1.482 -8.343 1.00 0.00 C ATOM 647 CD GLU A 44 -1.505 -1.447 -9.689 1.00 0.00 C ATOM 648 OE1 GLU A 44 -1.921 -2.220 -10.579 1.00 0.00 O ATOM 649 OE2 GLU A 44 -0.549 -0.649 -9.799 1.00 0.00 O ATOM 0 H GLU A 44 -0.874 -4.312 -5.490 1.00 0.00 H new ATOM 0 HA GLU A 44 -0.810 -1.444 -6.233 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.099 -3.301 -8.093 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.736 -3.390 -7.474 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.308 -1.452 -8.506 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.971 -0.597 -7.763 1.00 0.00 H new ATOM 656 N GLY A 45 -2.743 -0.935 -4.822 1.00 0.00 N ATOM 657 CA GLY A 45 -3.816 -0.602 -3.901 1.00 0.00 C ATOM 658 C GLY A 45 -4.368 0.797 -4.185 1.00 0.00 C ATOM 659 O GLY A 45 -4.089 1.377 -5.233 1.00 0.00 O ATOM 0 H GLY A 45 -2.200 -0.137 -5.151 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.616 -1.337 -3.988 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.449 -0.651 -2.876 1.00 0.00 H new ATOM 663 N VAL A 46 -5.140 1.298 -3.232 1.00 0.00 N ATOM 664 CA VAL A 46 -5.733 2.618 -3.367 1.00 0.00 C ATOM 665 C VAL A 46 -5.362 3.466 -2.148 1.00 0.00 C ATOM 666 O VAL A 46 -5.548 3.038 -1.010 1.00 0.00 O ATOM 667 CB VAL A 46 -7.244 2.494 -3.571 1.00 0.00 C ATOM 668 CG1 VAL A 46 -7.955 3.800 -3.211 1.00 0.00 C ATOM 669 CG2 VAL A 46 -7.571 2.068 -5.003 1.00 0.00 C ATOM 0 H VAL A 46 -5.369 0.814 -2.364 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.340 3.125 -4.248 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.610 1.718 -2.899 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -9.028 3.685 -3.365 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -7.762 4.043 -2.166 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -7.582 4.604 -3.845 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.652 1.987 -5.121 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.184 2.811 -5.701 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.110 1.102 -5.209 1.00 0.00 H new ATOM 679 N LEU A 47 -4.844 4.652 -2.429 1.00 0.00 N ATOM 680 CA LEU A 47 -4.445 5.564 -1.370 1.00 0.00 C ATOM 681 C LEU A 47 -5.492 6.672 -1.236 1.00 0.00 C ATOM 682 O LEU A 47 -5.326 7.757 -1.790 1.00 0.00 O ATOM 683 CB LEU A 47 -3.027 6.084 -1.617 1.00 0.00 C ATOM 684 CG LEU A 47 -2.518 7.137 -0.631 1.00 0.00 C ATOM 685 CD1 LEU A 47 -2.469 6.578 0.792 1.00 0.00 C ATOM 686 CD2 LEU A 47 -1.164 7.695 -1.075 1.00 0.00 C ATOM 0 H LEU A 47 -4.691 5.003 -3.374 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.407 5.044 -0.413 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.342 5.236 -1.598 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.986 6.505 -2.621 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.223 7.969 -0.626 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.104 7.347 1.473 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.469 6.269 1.096 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.799 5.719 0.822 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.825 8.441 -0.357 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.436 6.885 -1.128 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.265 8.156 -2.057 1.00 0.00 H new ATOM 698 N ASN A 48 -6.545 6.360 -0.496 1.00 0.00 N ATOM 699 CA ASN A 48 -7.619 7.315 -0.282 1.00 0.00 C ATOM 700 C ASN A 48 -8.267 7.658 -1.625 1.00 0.00 C ATOM 701 O ASN A 48 -8.345 8.826 -2.000 1.00 0.00 O ATOM 702 CB ASN A 48 -7.087 8.612 0.331 1.00 0.00 C ATOM 703 CG ASN A 48 -7.192 8.581 1.857 1.00 0.00 C ATOM 704 OD1 ASN A 48 -8.257 8.727 2.435 1.00 0.00 O ATOM 705 ND2 ASN A 48 -6.031 8.384 2.475 1.00 0.00 N ATOM 0 H ASN A 48 -6.678 5.459 -0.037 1.00 0.00 H new ATOM 0 HA ASN A 48 -8.341 6.863 0.398 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -6.047 8.757 0.037 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -7.650 9.460 -0.059 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -5.995 8.348 3.494 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -5.176 8.269 1.930 1.00 0.00 H new ATOM 712 N GLY A 49 -8.714 6.617 -2.312 1.00 0.00 N ATOM 713 CA GLY A 49 -9.353 6.793 -3.605 1.00 0.00 C ATOM 714 C GLY A 49 -8.324 6.737 -4.737 1.00 0.00 C ATOM 715 O GLY A 49 -8.629 6.275 -5.835 1.00 0.00 O ATOM 0 H GLY A 49 -8.646 5.649 -1.998 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -10.104 6.017 -3.752 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.875 7.750 -3.630 1.00 0.00 H new ATOM 719 N LYS A 50 -7.128 7.216 -4.429 1.00 0.00 N ATOM 720 CA LYS A 50 -6.053 7.227 -5.407 1.00 0.00 C ATOM 721 C LYS A 50 -5.685 5.787 -5.771 1.00 0.00 C ATOM 722 O LYS A 50 -6.276 4.841 -5.251 1.00 0.00 O ATOM 723 CB LYS A 50 -4.871 8.052 -4.894 1.00 0.00 C ATOM 724 CG LYS A 50 -4.195 8.812 -6.037 1.00 0.00 C ATOM 725 CD LYS A 50 -4.291 10.324 -5.822 1.00 0.00 C ATOM 726 CE LYS A 50 -3.178 11.056 -6.574 1.00 0.00 C ATOM 727 NZ LYS A 50 -3.247 12.511 -6.313 1.00 0.00 N ATOM 0 H LYS A 50 -6.879 7.599 -3.517 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.379 7.715 -6.325 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -5.216 8.757 -4.138 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -4.147 7.396 -4.411 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -3.148 8.517 -6.106 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -4.664 8.545 -6.984 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -5.262 10.683 -6.163 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -4.224 10.549 -4.757 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.207 10.670 -6.264 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.269 10.868 -7.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.485 12.993 -6.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.167 12.877 -6.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.138 12.686 -5.294 1.00 0.00 H new ATOM 741 N THR A 51 -4.712 5.665 -6.661 1.00 0.00 N ATOM 742 CA THR A 51 -4.259 4.356 -7.100 1.00 0.00 C ATOM 743 C THR A 51 -2.869 4.457 -7.732 1.00 0.00 C ATOM 744 O THR A 51 -2.508 5.495 -8.285 1.00 0.00 O ATOM 745 CB THR A 51 -5.316 3.783 -8.046 1.00 0.00 C ATOM 746 OG1 THR A 51 -6.287 3.210 -7.175 1.00 0.00 O ATOM 747 CG2 THR A 51 -4.794 2.595 -8.856 1.00 0.00 C ATOM 0 H THR A 51 -4.224 6.451 -7.090 1.00 0.00 H new ATOM 0 HA THR A 51 -4.150 3.672 -6.258 1.00 0.00 H new ATOM 0 HB THR A 51 -5.656 4.564 -8.726 1.00 0.00 H new ATOM 0 HG1 THR A 51 -6.146 3.542 -6.264 1.00 0.00 H new ATOM 0 HG21 THR A 51 -5.583 2.226 -9.511 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.942 2.911 -9.457 1.00 0.00 H new ATOM 0 HG23 THR A 51 -4.485 1.800 -8.178 1.00 0.00 H new ATOM 755 N GLY A 52 -2.127 3.365 -7.629 1.00 0.00 N ATOM 756 CA GLY A 52 -0.784 3.317 -8.184 1.00 0.00 C ATOM 757 C GLY A 52 -0.043 2.062 -7.719 1.00 0.00 C ATOM 758 O GLY A 52 -0.631 1.190 -7.082 1.00 0.00 O ATOM 0 H GLY A 52 -2.430 2.506 -7.170 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.836 3.331 -9.273 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.229 4.205 -7.880 1.00 0.00 H new ATOM 762 N MET A 53 1.237 2.011 -8.056 1.00 0.00 N ATOM 763 CA MET A 53 2.065 0.877 -7.681 1.00 0.00 C ATOM 764 C MET A 53 3.077 1.270 -6.603 1.00 0.00 C ATOM 765 O MET A 53 3.849 2.210 -6.783 1.00 0.00 O ATOM 766 CB MET A 53 2.808 0.358 -8.914 1.00 0.00 C ATOM 767 CG MET A 53 3.390 1.513 -9.731 1.00 0.00 C ATOM 768 SD MET A 53 4.456 0.878 -11.014 1.00 0.00 S ATOM 769 CE MET A 53 5.986 0.737 -10.104 1.00 0.00 C ATOM 0 H MET A 53 1.721 2.737 -8.585 1.00 0.00 H new ATOM 0 HA MET A 53 1.419 0.096 -7.279 1.00 0.00 H new ATOM 0 HB2 MET A 53 3.609 -0.313 -8.604 1.00 0.00 H new ATOM 0 HB3 MET A 53 2.127 -0.224 -9.535 1.00 0.00 H new ATOM 0 HG2 MET A 53 2.584 2.099 -10.173 1.00 0.00 H new ATOM 0 HG3 MET A 53 3.951 2.183 -9.080 1.00 0.00 H new ATOM 0 HE1 MET A 53 6.828 0.826 -10.791 1.00 0.00 H new ATOM 0 HE2 MET A 53 6.040 1.530 -9.359 1.00 0.00 H new ATOM 0 HE3 MET A 53 6.025 -0.232 -9.606 1.00 0.00 H new ATOM 779 N PHE A 54 3.040 0.529 -5.505 1.00 0.00 N ATOM 780 CA PHE A 54 3.944 0.788 -4.397 1.00 0.00 C ATOM 781 C PHE A 54 4.621 -0.502 -3.929 1.00 0.00 C ATOM 782 O PHE A 54 4.092 -1.594 -4.131 1.00 0.00 O ATOM 783 CB PHE A 54 3.100 1.351 -3.253 1.00 0.00 C ATOM 784 CG PHE A 54 2.168 0.325 -2.604 1.00 0.00 C ATOM 785 CD1 PHE A 54 0.964 0.046 -3.171 1.00 0.00 C ATOM 786 CD2 PHE A 54 2.543 -0.307 -1.460 1.00 0.00 C ATOM 787 CE1 PHE A 54 0.099 -0.906 -2.569 1.00 0.00 C ATOM 788 CE2 PHE A 54 1.678 -1.258 -0.858 1.00 0.00 C ATOM 789 CZ PHE A 54 0.474 -1.538 -1.425 1.00 0.00 C ATOM 0 H PHE A 54 2.398 -0.250 -5.359 1.00 0.00 H new ATOM 0 HA PHE A 54 4.723 1.484 -4.708 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.765 1.757 -2.490 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.503 2.182 -3.630 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.665 0.548 -4.079 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.499 -0.085 -1.009 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -0.857 -1.128 -3.020 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.976 -1.759 0.051 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.184 -2.262 -0.967 1.00 0.00 H new ATOM 799 N PRO A 55 5.812 -0.329 -3.296 1.00 0.00 N ATOM 800 CA PRO A 55 6.567 -1.466 -2.797 1.00 0.00 C ATOM 801 C PRO A 55 5.933 -2.030 -1.524 1.00 0.00 C ATOM 802 O PRO A 55 5.642 -1.285 -0.589 1.00 0.00 O ATOM 803 CB PRO A 55 7.975 -0.938 -2.576 1.00 0.00 C ATOM 804 CG PRO A 55 7.847 0.576 -2.515 1.00 0.00 C ATOM 805 CD PRO A 55 6.470 0.949 -3.039 1.00 0.00 C ATOM 0 HA PRO A 55 6.575 -2.303 -3.495 1.00 0.00 H new ATOM 0 HB2 PRO A 55 8.399 -1.332 -1.652 1.00 0.00 H new ATOM 0 HB3 PRO A 55 8.638 -1.242 -3.386 1.00 0.00 H new ATOM 0 HG2 PRO A 55 7.974 0.929 -1.492 1.00 0.00 H new ATOM 0 HG3 PRO A 55 8.625 1.049 -3.115 1.00 0.00 H new ATOM 0 HD2 PRO A 55 5.916 1.540 -2.310 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.541 1.548 -3.947 1.00 0.00 H new ATOM 813 N SER A 56 5.737 -3.340 -1.528 1.00 0.00 N ATOM 814 CA SER A 56 5.143 -4.012 -0.385 1.00 0.00 C ATOM 815 C SER A 56 6.220 -4.326 0.655 1.00 0.00 C ATOM 816 O SER A 56 5.958 -5.025 1.633 1.00 0.00 O ATOM 817 CB SER A 56 4.426 -5.294 -0.811 1.00 0.00 C ATOM 818 OG SER A 56 5.343 -6.311 -1.210 1.00 0.00 O ATOM 0 H SER A 56 5.979 -3.955 -2.305 1.00 0.00 H new ATOM 0 HA SER A 56 4.403 -3.345 0.058 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.816 -5.660 0.015 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.748 -5.073 -1.635 1.00 0.00 H new ATOM 0 HG SER A 56 4.846 -7.102 -1.505 1.00 0.00 H new ATOM 824 N ASN A 57 7.408 -3.793 0.410 1.00 0.00 N ATOM 825 CA ASN A 57 8.525 -4.008 1.313 1.00 0.00 C ATOM 826 C ASN A 57 8.745 -2.749 2.154 1.00 0.00 C ATOM 827 O ASN A 57 9.808 -2.572 2.748 1.00 0.00 O ATOM 828 CB ASN A 57 9.814 -4.290 0.538 1.00 0.00 C ATOM 829 CG ASN A 57 10.410 -5.642 0.938 1.00 0.00 C ATOM 830 OD1 ASN A 57 9.840 -6.397 1.708 1.00 0.00 O ATOM 831 ND2 ASN A 57 11.585 -5.903 0.373 1.00 0.00 N ATOM 0 H ASN A 57 7.621 -3.213 -0.401 1.00 0.00 H new ATOM 0 HA ASN A 57 8.288 -4.865 1.943 1.00 0.00 H new ATOM 0 HB2 ASN A 57 9.608 -4.282 -0.532 1.00 0.00 H new ATOM 0 HB3 ASN A 57 10.538 -3.498 0.730 1.00 0.00 H new ATOM 0 HD21 ASN A 57 12.065 -6.780 0.576 1.00 0.00 H new ATOM 0 HD22 ASN A 57 12.007 -5.226 -0.263 1.00 0.00 H new ATOM 838 N PHE A 58 7.723 -1.906 2.178 1.00 0.00 N ATOM 839 CA PHE A 58 7.791 -0.668 2.936 1.00 0.00 C ATOM 840 C PHE A 58 6.452 -0.364 3.610 1.00 0.00 C ATOM 841 O PHE A 58 6.071 0.798 3.746 1.00 0.00 O ATOM 842 CB PHE A 58 8.114 0.448 1.941 1.00 0.00 C ATOM 843 CG PHE A 58 9.570 0.461 1.471 1.00 0.00 C ATOM 844 CD1 PHE A 58 9.992 -0.438 0.543 1.00 0.00 C ATOM 845 CD2 PHE A 58 10.441 1.373 1.981 1.00 0.00 C ATOM 846 CE1 PHE A 58 11.343 -0.426 0.106 1.00 0.00 C ATOM 847 CE2 PHE A 58 11.792 1.385 1.544 1.00 0.00 C ATOM 848 CZ PHE A 58 12.215 0.486 0.616 1.00 0.00 C ATOM 0 H PHE A 58 6.843 -2.056 1.685 1.00 0.00 H new ATOM 0 HA PHE A 58 8.549 -0.749 3.715 1.00 0.00 H new ATOM 0 HB2 PHE A 58 7.464 0.346 1.072 1.00 0.00 H new ATOM 0 HB3 PHE A 58 7.883 1.409 2.401 1.00 0.00 H new ATOM 0 HD1 PHE A 58 9.300 -1.161 0.138 1.00 0.00 H new ATOM 0 HD2 PHE A 58 10.105 2.088 2.718 1.00 0.00 H new ATOM 0 HE1 PHE A 58 11.679 -1.141 -0.631 1.00 0.00 H new ATOM 0 HE2 PHE A 58 12.484 2.109 1.949 1.00 0.00 H new ATOM 0 HZ PHE A 58 13.243 0.496 0.284 1.00 0.00 H new ATOM 858 N ILE A 59 5.774 -1.428 4.015 1.00 0.00 N ATOM 859 CA ILE A 59 4.486 -1.289 4.672 1.00 0.00 C ATOM 860 C ILE A 59 4.368 -2.337 5.781 1.00 0.00 C ATOM 861 O ILE A 59 5.333 -3.036 6.084 1.00 0.00 O ATOM 862 CB ILE A 59 3.352 -1.349 3.646 1.00 0.00 C ATOM 863 CG1 ILE A 59 3.539 -2.530 2.691 1.00 0.00 C ATOM 864 CG2 ILE A 59 3.220 -0.021 2.897 1.00 0.00 C ATOM 865 CD1 ILE A 59 2.943 -3.810 3.280 1.00 0.00 C ATOM 0 H ILE A 59 6.093 -2.390 3.901 1.00 0.00 H new ATOM 0 HA ILE A 59 4.404 -0.311 5.147 1.00 0.00 H new ATOM 0 HB ILE A 59 2.416 -1.512 4.180 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.063 -2.309 1.736 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.601 -2.677 2.492 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.407 -0.090 2.174 1.00 0.00 H new ATOM 0 HG22 ILE A 59 3.007 0.778 3.607 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.152 0.197 2.375 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.089 -4.634 2.582 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.438 -4.041 4.223 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.877 -3.668 3.455 1.00 0.00 H new ATOM 877 N LYS A 60 3.176 -2.412 6.355 1.00 0.00 N ATOM 878 CA LYS A 60 2.919 -3.362 7.424 1.00 0.00 C ATOM 879 C LYS A 60 1.467 -3.837 7.340 1.00 0.00 C ATOM 880 O LYS A 60 0.548 -3.101 7.695 1.00 0.00 O ATOM 881 CB LYS A 60 3.292 -2.758 8.780 1.00 0.00 C ATOM 882 CG LYS A 60 2.478 -1.493 9.058 1.00 0.00 C ATOM 883 CD LYS A 60 3.059 -0.716 10.241 1.00 0.00 C ATOM 884 CE LYS A 60 2.455 -1.196 11.562 1.00 0.00 C ATOM 885 NZ LYS A 60 3.362 -0.886 12.689 1.00 0.00 N ATOM 0 H LYS A 60 2.378 -1.830 6.100 1.00 0.00 H new ATOM 0 HA LYS A 60 3.550 -4.243 7.310 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.116 -3.489 9.569 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.356 -2.521 8.797 1.00 0.00 H new ATOM 0 HG2 LYS A 60 2.470 -0.859 8.171 1.00 0.00 H new ATOM 0 HG3 LYS A 60 1.443 -1.761 9.268 1.00 0.00 H new ATOM 0 HD2 LYS A 60 4.142 -0.840 10.266 1.00 0.00 H new ATOM 0 HD3 LYS A 60 2.863 0.349 10.113 1.00 0.00 H new ATOM 0 HE2 LYS A 60 1.489 -0.717 11.722 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.275 -2.270 11.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.937 -1.218 13.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.274 -1.363 12.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.513 0.142 12.740 1.00 0.00 H new ATOM 899 N GLU A 61 1.306 -5.065 6.869 1.00 0.00 N ATOM 900 CA GLU A 61 -0.018 -5.647 6.735 1.00 0.00 C ATOM 901 C GLU A 61 -0.829 -5.422 8.012 1.00 0.00 C ATOM 902 O GLU A 61 -0.291 -4.973 9.023 1.00 0.00 O ATOM 903 CB GLU A 61 0.069 -7.136 6.395 1.00 0.00 C ATOM 904 CG GLU A 61 0.478 -7.955 7.622 1.00 0.00 C ATOM 905 CD GLU A 61 0.394 -9.455 7.333 1.00 0.00 C ATOM 906 OE1 GLU A 61 1.143 -9.903 6.438 1.00 0.00 O ATOM 907 OE2 GLU A 61 -0.417 -10.120 8.013 1.00 0.00 O ATOM 0 H GLU A 61 2.071 -5.673 6.576 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.530 -5.150 5.911 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.895 -7.485 6.025 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.792 -7.288 5.594 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.495 -7.694 7.915 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.170 -7.706 8.462 1.00 0.00 H new ATOM 914 N LEU A 62 -2.112 -5.745 7.926 1.00 0.00 N ATOM 915 CA LEU A 62 -3.002 -5.584 9.062 1.00 0.00 C ATOM 916 C LEU A 62 -3.985 -6.756 9.105 1.00 0.00 C ATOM 917 O LEU A 62 -4.830 -6.894 8.222 1.00 0.00 O ATOM 918 CB LEU A 62 -3.681 -4.213 9.021 1.00 0.00 C ATOM 919 CG LEU A 62 -2.755 -3.012 8.820 1.00 0.00 C ATOM 920 CD1 LEU A 62 -3.512 -1.834 8.202 1.00 0.00 C ATOM 921 CD2 LEU A 62 -2.064 -2.626 10.129 1.00 0.00 C ATOM 0 H LEU A 62 -2.555 -6.117 7.086 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.437 -5.607 9.994 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.417 -4.218 8.217 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.228 -4.073 9.953 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.973 -3.298 8.116 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.831 -0.993 8.070 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.917 -2.129 7.234 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.328 -1.540 8.862 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.412 -1.770 9.957 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.816 -2.366 10.874 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.471 -3.467 10.489 1.00 0.00 H new