USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 405 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 8 LYS NZ :NH3+ 146:sc= -0.0903 (180deg=-0.77) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0.00678 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -1.06 K(o=-1.1,f=-5!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0.052) USER MOD Single : A 53 TYR OH : rot 150:sc= -0.447 USER MOD Single : A 56 CYS SG : rot 180:sc= 0.00847 USER MOD Single : A 57 ASN : amide:sc=-0.00289 X(o=-0.0029,f=0) USER MOD ----------------------------------------------------------------- ATOM 66 N LYS A 8 0.248 5.972 -1.538 1.00 0.00 N ATOM 67 CA LYS A 8 0.427 5.833 -0.103 1.00 0.00 C ATOM 68 C LYS A 8 1.115 4.500 0.194 1.00 0.00 C ATOM 69 O LYS A 8 1.118 3.598 -0.643 1.00 0.00 O ATOM 70 CB LYS A 8 -0.908 6.011 0.623 1.00 0.00 C ATOM 71 CG LYS A 8 -1.851 4.843 0.332 1.00 0.00 C ATOM 72 CD LYS A 8 -3.155 5.335 -0.299 1.00 0.00 C ATOM 73 CE LYS A 8 -4.071 5.963 0.754 1.00 0.00 C ATOM 74 NZ LYS A 8 -3.926 7.436 0.753 1.00 0.00 N ATOM 0 HA LYS A 8 1.078 6.620 0.278 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.735 6.084 1.697 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.374 6.946 0.311 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.363 4.135 -0.338 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.069 4.308 1.256 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -2.934 6.066 -1.076 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -3.667 4.502 -0.781 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -5.107 5.693 0.551 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -3.826 5.568 1.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -4.842 7.875 0.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -3.223 7.716 1.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -3.611 7.753 -0.186 1.00 0.00 H new ATOM 88 N TYR A 9 1.683 4.416 1.389 1.00 0.00 N ATOM 89 CA TYR A 9 2.373 3.208 1.807 1.00 0.00 C ATOM 90 C TYR A 9 1.909 2.764 3.196 1.00 0.00 C ATOM 91 O TYR A 9 1.231 3.514 3.897 1.00 0.00 O ATOM 92 CB TYR A 9 3.858 3.571 1.870 1.00 0.00 C ATOM 93 CG TYR A 9 4.504 3.789 0.500 1.00 0.00 C ATOM 94 CD1 TYR A 9 4.735 2.713 -0.333 1.00 0.00 C ATOM 95 CD2 TYR A 9 4.856 5.061 0.098 1.00 0.00 C ATOM 96 CE1 TYR A 9 5.343 2.917 -1.622 1.00 0.00 C ATOM 97 CE2 TYR A 9 5.465 5.266 -1.191 1.00 0.00 C ATOM 98 CZ TYR A 9 5.678 4.184 -1.987 1.00 0.00 C ATOM 99 OH TYR A 9 6.252 4.377 -3.205 1.00 0.00 O ATOM 0 H TYR A 9 1.679 5.166 2.081 1.00 0.00 H new ATOM 0 HA TYR A 9 2.171 2.391 1.114 1.00 0.00 H new ATOM 0 HB2 TYR A 9 3.975 4.477 2.464 1.00 0.00 H new ATOM 0 HB3 TYR A 9 4.394 2.777 2.391 1.00 0.00 H new ATOM 0 HD1 TYR A 9 4.460 1.717 -0.018 1.00 0.00 H new ATOM 0 HD2 TYR A 9 4.675 5.903 0.750 1.00 0.00 H new ATOM 0 HE1 TYR A 9 5.529 2.084 -2.284 1.00 0.00 H new ATOM 0 HE2 TYR A 9 5.746 6.256 -1.518 1.00 0.00 H new ATOM 0 HH TYR A 9 6.437 5.331 -3.332 1.00 0.00 H new ATOM 109 N VAL A 10 2.293 1.547 3.552 1.00 0.00 N ATOM 110 CA VAL A 10 1.926 0.995 4.845 1.00 0.00 C ATOM 111 C VAL A 10 3.170 0.416 5.520 1.00 0.00 C ATOM 112 O VAL A 10 3.942 -0.308 4.892 1.00 0.00 O ATOM 113 CB VAL A 10 0.805 -0.033 4.674 1.00 0.00 C ATOM 114 CG1 VAL A 10 1.356 -1.364 4.159 1.00 0.00 C ATOM 115 CG2 VAL A 10 0.036 -0.228 5.983 1.00 0.00 C ATOM 0 H VAL A 10 2.855 0.928 2.968 1.00 0.00 H new ATOM 0 HA VAL A 10 1.537 1.776 5.498 1.00 0.00 H new ATOM 0 HB VAL A 10 0.108 0.352 3.930 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.539 -2.077 4.046 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.838 -1.209 3.194 1.00 0.00 H new ATOM 0 HG13 VAL A 10 2.084 -1.756 4.869 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.755 -0.963 5.834 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.718 -0.580 6.757 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.404 0.720 6.291 1.00 0.00 H new ATOM 125 N LYS A 11 3.328 0.757 6.791 1.00 0.00 N ATOM 126 CA LYS A 11 4.466 0.280 7.558 1.00 0.00 C ATOM 127 C LYS A 11 4.032 -0.906 8.421 1.00 0.00 C ATOM 128 O LYS A 11 3.059 -0.812 9.169 1.00 0.00 O ATOM 129 CB LYS A 11 5.091 1.425 8.356 1.00 0.00 C ATOM 130 CG LYS A 11 6.516 1.076 8.792 1.00 0.00 C ATOM 131 CD LYS A 11 6.626 1.027 10.318 1.00 0.00 C ATOM 132 CE LYS A 11 7.170 2.346 10.870 1.00 0.00 C ATOM 133 NZ LYS A 11 6.074 3.325 11.048 1.00 0.00 N ATOM 0 H LYS A 11 2.687 1.358 7.309 1.00 0.00 H new ATOM 0 HA LYS A 11 5.251 -0.080 6.893 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.104 2.331 7.750 1.00 0.00 H new ATOM 0 HB3 LYS A 11 4.480 1.637 9.233 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.803 0.112 8.372 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.212 1.816 8.397 1.00 0.00 H new ATOM 0 HD2 LYS A 11 5.646 0.824 10.751 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.281 0.207 10.613 1.00 0.00 H new ATOM 0 HE2 LYS A 11 7.667 2.170 11.824 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.920 2.750 10.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 6.461 4.215 11.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 5.617 3.505 10.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 5.373 2.944 11.715 1.00 0.00 H new ATOM 147 N ILE A 12 4.775 -1.996 8.290 1.00 0.00 N ATOM 148 CA ILE A 12 4.479 -3.199 9.049 1.00 0.00 C ATOM 149 C ILE A 12 4.831 -2.968 10.520 1.00 0.00 C ATOM 150 O ILE A 12 5.996 -2.769 10.860 1.00 0.00 O ATOM 151 CB ILE A 12 5.183 -4.409 8.431 1.00 0.00 C ATOM 152 CG1 ILE A 12 4.860 -4.529 6.940 1.00 0.00 C ATOM 153 CG2 ILE A 12 4.845 -5.690 9.196 1.00 0.00 C ATOM 154 CD1 ILE A 12 3.379 -4.842 6.724 1.00 0.00 C ATOM 0 H ILE A 12 5.581 -2.071 7.670 1.00 0.00 H new ATOM 0 HA ILE A 12 3.413 -3.423 9.007 1.00 0.00 H new ATOM 0 HB ILE A 12 6.259 -4.258 8.516 1.00 0.00 H new ATOM 0 HG12 ILE A 12 5.117 -3.599 6.433 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.470 -5.314 6.494 1.00 0.00 H new ATOM 0 HG21 ILE A 12 5.358 -6.535 8.736 1.00 0.00 H new ATOM 0 HG22 ILE A 12 5.167 -5.590 10.233 1.00 0.00 H new ATOM 0 HG23 ILE A 12 3.769 -5.859 9.165 1.00 0.00 H new ATOM 0 HD11 ILE A 12 3.176 -4.922 5.656 1.00 0.00 H new ATOM 0 HD12 ILE A 12 3.131 -5.785 7.212 1.00 0.00 H new ATOM 0 HD13 ILE A 12 2.772 -4.043 7.150 1.00 0.00 H new ATOM 166 N LEU A 13 3.802 -3.003 11.354 1.00 0.00 N ATOM 167 CA LEU A 13 3.987 -2.800 12.781 1.00 0.00 C ATOM 168 C LEU A 13 4.457 -4.108 13.421 1.00 0.00 C ATOM 169 O LEU A 13 5.072 -4.096 14.486 1.00 0.00 O ATOM 170 CB LEU A 13 2.715 -2.229 13.410 1.00 0.00 C ATOM 171 CG LEU A 13 2.244 -0.879 12.867 1.00 0.00 C ATOM 172 CD1 LEU A 13 0.923 -0.458 13.512 1.00 0.00 C ATOM 173 CD2 LEU A 13 3.329 0.187 13.034 1.00 0.00 C ATOM 0 H LEU A 13 2.837 -3.169 11.069 1.00 0.00 H new ATOM 0 HA LEU A 13 4.765 -2.059 12.963 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.911 -2.952 13.275 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.878 -2.129 14.483 1.00 0.00 H new ATOM 0 HG LEU A 13 2.059 -0.987 11.798 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.611 0.505 13.108 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.159 -1.206 13.298 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.056 -0.373 14.591 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.969 1.137 12.640 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.569 0.300 14.091 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.223 -0.116 12.490 1.00 0.00 H new ATOM 185 N TYR A 14 4.150 -5.204 12.744 1.00 0.00 N ATOM 186 CA TYR A 14 4.533 -6.518 13.233 1.00 0.00 C ATOM 187 C TYR A 14 4.883 -7.454 12.074 1.00 0.00 C ATOM 188 O TYR A 14 4.233 -7.426 11.031 1.00 0.00 O ATOM 189 CB TYR A 14 3.308 -7.069 13.965 1.00 0.00 C ATOM 190 CG TYR A 14 2.873 -6.229 15.168 1.00 0.00 C ATOM 191 CD1 TYR A 14 3.549 -6.337 16.366 1.00 0.00 C ATOM 192 CD2 TYR A 14 1.803 -5.364 15.055 1.00 0.00 C ATOM 193 CE1 TYR A 14 3.139 -5.547 17.498 1.00 0.00 C ATOM 194 CE2 TYR A 14 1.393 -4.574 16.187 1.00 0.00 C ATOM 195 CZ TYR A 14 2.081 -4.705 17.353 1.00 0.00 C ATOM 196 OH TYR A 14 1.694 -3.958 18.422 1.00 0.00 O ATOM 0 H TYR A 14 3.640 -5.210 11.861 1.00 0.00 H new ATOM 0 HA TYR A 14 5.409 -6.447 13.878 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.477 -7.137 13.262 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.524 -8.083 14.302 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.386 -7.014 16.455 1.00 0.00 H new ATOM 0 HD2 TYR A 14 1.273 -5.280 14.118 1.00 0.00 H new ATOM 0 HE1 TYR A 14 3.660 -5.622 18.441 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.558 -3.893 16.112 1.00 0.00 H new ATOM 0 HH TYR A 14 0.927 -3.402 18.172 1.00 0.00 H new ATOM 206 N ASP A 15 5.910 -8.261 12.297 1.00 0.00 N ATOM 207 CA ASP A 15 6.355 -9.203 11.285 1.00 0.00 C ATOM 208 C ASP A 15 5.277 -10.269 11.078 1.00 0.00 C ATOM 209 O ASP A 15 4.932 -10.997 12.008 1.00 0.00 O ATOM 210 CB ASP A 15 7.641 -9.909 11.716 1.00 0.00 C ATOM 211 CG ASP A 15 7.695 -10.310 13.192 1.00 0.00 C ATOM 212 OD1 ASP A 15 6.658 -10.806 13.684 1.00 0.00 O ATOM 213 OD2 ASP A 15 8.772 -10.111 13.795 1.00 0.00 O ATOM 0 H ASP A 15 6.447 -8.282 13.164 1.00 0.00 H new ATOM 0 HA ASP A 15 6.540 -8.647 10.366 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.768 -10.804 11.107 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.486 -9.255 11.502 1.00 0.00 H new ATOM 218 N PHE A 16 4.775 -10.328 9.853 1.00 0.00 N ATOM 219 CA PHE A 16 3.743 -11.293 9.513 1.00 0.00 C ATOM 220 C PHE A 16 4.248 -12.289 8.467 1.00 0.00 C ATOM 221 O PHE A 16 5.047 -11.935 7.602 1.00 0.00 O ATOM 222 CB PHE A 16 2.570 -10.505 8.925 1.00 0.00 C ATOM 223 CG PHE A 16 1.325 -11.352 8.656 1.00 0.00 C ATOM 224 CD1 PHE A 16 0.411 -11.549 9.644 1.00 0.00 C ATOM 225 CD2 PHE A 16 1.131 -11.907 7.430 1.00 0.00 C ATOM 226 CE1 PHE A 16 -0.746 -12.335 9.394 1.00 0.00 C ATOM 227 CE2 PHE A 16 -0.025 -12.692 7.180 1.00 0.00 C ATOM 228 CZ PHE A 16 -0.939 -12.890 8.168 1.00 0.00 C ATOM 0 H PHE A 16 5.064 -9.723 9.084 1.00 0.00 H new ATOM 0 HA PHE A 16 3.452 -11.855 10.400 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.307 -9.699 9.610 1.00 0.00 H new ATOM 0 HB3 PHE A 16 2.889 -10.040 7.992 1.00 0.00 H new ATOM 0 HD1 PHE A 16 0.565 -11.108 10.618 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.857 -11.750 6.646 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.472 -12.492 10.178 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.179 -13.132 6.206 1.00 0.00 H new ATOM 0 HZ PHE A 16 -1.818 -13.488 7.978 1.00 0.00 H new ATOM 238 N THR A 17 3.760 -13.516 8.581 1.00 0.00 N ATOM 239 CA THR A 17 4.152 -14.566 7.656 1.00 0.00 C ATOM 240 C THR A 17 2.922 -15.138 6.948 1.00 0.00 C ATOM 241 O THR A 17 1.946 -15.511 7.596 1.00 0.00 O ATOM 242 CB THR A 17 4.944 -15.614 8.440 1.00 0.00 C ATOM 243 OG1 THR A 17 6.163 -14.953 8.769 1.00 0.00 O ATOM 244 CG2 THR A 17 5.383 -16.790 7.565 1.00 0.00 C ATOM 0 H THR A 17 3.097 -13.806 9.300 1.00 0.00 H new ATOM 0 HA THR A 17 4.793 -14.178 6.864 1.00 0.00 H new ATOM 0 HB THR A 17 4.338 -15.983 9.268 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.737 -15.561 9.281 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.941 -17.505 8.170 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.504 -17.279 7.144 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.017 -16.425 6.757 1.00 0.00 H new ATOM 252 N ALA A 18 3.011 -15.189 5.627 1.00 0.00 N ATOM 253 CA ALA A 18 1.918 -15.710 4.823 1.00 0.00 C ATOM 254 C ALA A 18 1.761 -17.208 5.092 1.00 0.00 C ATOM 255 O ALA A 18 2.637 -17.999 4.745 1.00 0.00 O ATOM 256 CB ALA A 18 2.180 -15.406 3.347 1.00 0.00 C ATOM 0 H ALA A 18 3.823 -14.878 5.093 1.00 0.00 H new ATOM 0 HA ALA A 18 0.979 -15.227 5.093 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.360 -15.797 2.744 1.00 0.00 H new ATOM 0 HB2 ALA A 18 2.253 -14.328 3.205 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.114 -15.877 3.039 1.00 0.00 H new ATOM 324 N GLU A 23 -2.331 -14.587 1.443 1.00 0.00 N ATOM 325 CA GLU A 23 -1.570 -13.905 2.476 1.00 0.00 C ATOM 326 C GLU A 23 -0.226 -13.432 1.919 1.00 0.00 C ATOM 327 O GLU A 23 0.271 -13.981 0.937 1.00 0.00 O ATOM 328 CB GLU A 23 -1.372 -14.807 3.696 1.00 0.00 C ATOM 329 CG GLU A 23 -2.712 -15.137 4.357 1.00 0.00 C ATOM 330 CD GLU A 23 -2.505 -15.690 5.769 1.00 0.00 C ATOM 331 OE1 GLU A 23 -1.946 -16.804 5.866 1.00 0.00 O ATOM 332 OE2 GLU A 23 -2.910 -14.986 6.719 1.00 0.00 O ATOM 0 HA GLU A 23 -2.135 -13.031 2.800 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.874 -15.729 3.394 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.719 -14.313 4.416 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.331 -14.241 4.401 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.250 -15.867 3.752 1.00 0.00 H new ATOM 339 N LEU A 24 0.324 -12.419 2.571 1.00 0.00 N ATOM 340 CA LEU A 24 1.601 -11.865 2.154 1.00 0.00 C ATOM 341 C LEU A 24 2.592 -11.946 3.317 1.00 0.00 C ATOM 342 O LEU A 24 2.222 -11.722 4.469 1.00 0.00 O ATOM 343 CB LEU A 24 1.417 -10.451 1.600 1.00 0.00 C ATOM 344 CG LEU A 24 2.430 -10.007 0.543 1.00 0.00 C ATOM 345 CD1 LEU A 24 2.216 -10.761 -0.771 1.00 0.00 C ATOM 346 CD2 LEU A 24 2.390 -8.491 0.347 1.00 0.00 C ATOM 0 H LEU A 24 -0.091 -11.967 3.386 1.00 0.00 H new ATOM 0 HA LEU A 24 2.021 -12.450 1.336 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.418 -10.378 1.170 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.458 -9.748 2.432 1.00 0.00 H new ATOM 0 HG LEU A 24 3.429 -10.258 0.900 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.949 -10.427 -1.506 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.335 -11.831 -0.600 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.211 -10.563 -1.145 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.120 -8.203 -0.410 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.393 -8.192 0.022 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.628 -7.996 1.288 1.00 0.00 H new ATOM 358 N SER A 25 3.831 -12.268 2.976 1.00 0.00 N ATOM 359 CA SER A 25 4.878 -12.381 3.978 1.00 0.00 C ATOM 360 C SER A 25 5.667 -11.073 4.061 1.00 0.00 C ATOM 361 O SER A 25 6.254 -10.635 3.073 1.00 0.00 O ATOM 362 CB SER A 25 5.816 -13.548 3.664 1.00 0.00 C ATOM 363 OG SER A 25 6.116 -13.633 2.274 1.00 0.00 O ATOM 0 H SER A 25 4.134 -12.454 2.020 1.00 0.00 H new ATOM 0 HA SER A 25 4.409 -12.576 4.942 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.741 -13.431 4.228 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.357 -14.480 3.994 1.00 0.00 H new ATOM 0 HG SER A 25 6.719 -14.389 2.115 1.00 0.00 H new ATOM 369 N VAL A 26 5.654 -10.486 5.249 1.00 0.00 N ATOM 370 CA VAL A 26 6.361 -9.237 5.474 1.00 0.00 C ATOM 371 C VAL A 26 6.993 -9.257 6.867 1.00 0.00 C ATOM 372 O VAL A 26 6.634 -10.085 7.703 1.00 0.00 O ATOM 373 CB VAL A 26 5.414 -8.054 5.264 1.00 0.00 C ATOM 374 CG1 VAL A 26 4.976 -7.955 3.801 1.00 0.00 C ATOM 375 CG2 VAL A 26 4.202 -8.150 6.193 1.00 0.00 C ATOM 0 H VAL A 26 5.165 -10.852 6.066 1.00 0.00 H new ATOM 0 HA VAL A 26 7.169 -9.121 4.752 1.00 0.00 H new ATOM 0 HB VAL A 26 5.957 -7.142 5.514 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.303 -7.106 3.679 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.852 -7.818 3.167 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.460 -8.871 3.513 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.545 -7.297 6.023 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.659 -9.073 5.988 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.537 -8.149 7.230 1.00 0.00 H new ATOM 385 N LEU A 27 7.922 -8.335 7.074 1.00 0.00 N ATOM 386 CA LEU A 27 8.607 -8.237 8.352 1.00 0.00 C ATOM 387 C LEU A 27 8.136 -6.977 9.082 1.00 0.00 C ATOM 388 O LEU A 27 7.315 -6.224 8.561 1.00 0.00 O ATOM 389 CB LEU A 27 10.122 -8.303 8.154 1.00 0.00 C ATOM 390 CG LEU A 27 10.731 -9.705 8.100 1.00 0.00 C ATOM 391 CD1 LEU A 27 12.114 -9.678 7.447 1.00 0.00 C ATOM 392 CD2 LEU A 27 10.767 -10.342 9.491 1.00 0.00 C ATOM 0 H LEU A 27 8.216 -7.649 6.378 1.00 0.00 H new ATOM 0 HA LEU A 27 8.355 -9.087 8.986 1.00 0.00 H new ATOM 0 HB2 LEU A 27 10.370 -7.785 7.228 1.00 0.00 H new ATOM 0 HB3 LEU A 27 10.599 -7.752 8.965 1.00 0.00 H new ATOM 0 HG LEU A 27 10.092 -10.330 7.476 1.00 0.00 H new ATOM 0 HD11 LEU A 27 12.524 -10.688 7.421 1.00 0.00 H new ATOM 0 HD12 LEU A 27 12.029 -9.295 6.430 1.00 0.00 H new ATOM 0 HD13 LEU A 27 12.776 -9.032 8.024 1.00 0.00 H new ATOM 0 HD21 LEU A 27 11.205 -11.338 9.424 1.00 0.00 H new ATOM 0 HD22 LEU A 27 11.369 -9.725 10.158 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.753 -10.417 9.883 1.00 0.00 H new ATOM 404 N LYS A 28 8.677 -6.787 10.277 1.00 0.00 N ATOM 405 CA LYS A 28 8.322 -5.632 11.083 1.00 0.00 C ATOM 406 C LYS A 28 9.240 -4.462 10.722 1.00 0.00 C ATOM 407 O LYS A 28 10.431 -4.655 10.479 1.00 0.00 O ATOM 408 CB LYS A 28 8.340 -5.991 12.570 1.00 0.00 C ATOM 409 CG LYS A 28 8.046 -4.763 13.435 1.00 0.00 C ATOM 410 CD LYS A 28 8.618 -4.935 14.843 1.00 0.00 C ATOM 411 CE LYS A 28 8.530 -3.627 15.634 1.00 0.00 C ATOM 412 NZ LYS A 28 8.292 -3.904 17.068 1.00 0.00 N ATOM 0 H LYS A 28 9.358 -7.414 10.706 1.00 0.00 H new ATOM 0 HA LYS A 28 7.302 -5.316 10.867 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.600 -6.766 12.769 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.313 -6.403 12.836 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.475 -3.875 12.970 1.00 0.00 H new ATOM 0 HG3 LYS A 28 6.969 -4.604 13.493 1.00 0.00 H new ATOM 0 HD2 LYS A 28 8.072 -5.719 15.368 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.657 -5.257 14.780 1.00 0.00 H new ATOM 0 HE2 LYS A 28 9.454 -3.060 15.515 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.724 -3.009 15.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.235 -3.006 17.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.399 -4.426 17.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.075 -4.475 17.446 1.00 0.00 H new ATOM 426 N ASP A 29 8.652 -3.275 10.699 1.00 0.00 N ATOM 427 CA ASP A 29 9.402 -2.075 10.372 1.00 0.00 C ATOM 428 C ASP A 29 9.458 -1.912 8.852 1.00 0.00 C ATOM 429 O ASP A 29 9.882 -0.872 8.350 1.00 0.00 O ATOM 430 CB ASP A 29 10.839 -2.164 10.891 1.00 0.00 C ATOM 431 CG ASP A 29 10.991 -2.826 12.262 1.00 0.00 C ATOM 432 OD1 ASP A 29 10.301 -2.362 13.196 1.00 0.00 O ATOM 433 OD2 ASP A 29 11.793 -3.781 12.345 1.00 0.00 O ATOM 0 H ASP A 29 7.665 -3.119 10.902 1.00 0.00 H new ATOM 0 HA ASP A 29 8.902 -1.227 10.840 1.00 0.00 H new ATOM 0 HB2 ASP A 29 11.437 -2.719 10.168 1.00 0.00 H new ATOM 0 HB3 ASP A 29 11.254 -1.157 10.942 1.00 0.00 H new ATOM 438 N GLU A 30 9.024 -2.956 8.160 1.00 0.00 N ATOM 439 CA GLU A 30 9.019 -2.941 6.707 1.00 0.00 C ATOM 440 C GLU A 30 7.945 -1.983 6.189 1.00 0.00 C ATOM 441 O GLU A 30 7.088 -1.536 6.950 1.00 0.00 O ATOM 442 CB GLU A 30 8.815 -4.350 6.146 1.00 0.00 C ATOM 443 CG GLU A 30 10.129 -5.133 6.136 1.00 0.00 C ATOM 444 CD GLU A 30 10.965 -4.816 7.378 1.00 0.00 C ATOM 445 OE1 GLU A 30 11.625 -3.754 7.362 1.00 0.00 O ATOM 446 OE2 GLU A 30 10.925 -5.642 8.315 1.00 0.00 O ATOM 0 H GLU A 30 8.673 -3.817 8.579 1.00 0.00 H new ATOM 0 HA GLU A 30 9.990 -2.585 6.363 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.076 -4.881 6.747 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.417 -4.288 5.133 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.919 -6.202 6.097 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.697 -4.887 5.239 1.00 0.00 H new ATOM 453 N VAL A 31 8.026 -1.697 4.898 1.00 0.00 N ATOM 454 CA VAL A 31 7.071 -0.800 4.270 1.00 0.00 C ATOM 455 C VAL A 31 6.596 -1.411 2.950 1.00 0.00 C ATOM 456 O VAL A 31 7.370 -1.528 2.001 1.00 0.00 O ATOM 457 CB VAL A 31 7.692 0.588 4.096 1.00 0.00 C ATOM 458 CG1 VAL A 31 6.773 1.503 3.285 1.00 0.00 C ATOM 459 CG2 VAL A 31 8.029 1.211 5.452 1.00 0.00 C ATOM 0 H VAL A 31 8.738 -2.070 4.270 1.00 0.00 H new ATOM 0 HA VAL A 31 6.194 -0.672 4.904 1.00 0.00 H new ATOM 0 HB VAL A 31 8.622 0.471 3.540 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.239 2.483 3.177 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.606 1.069 2.299 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.819 1.610 3.801 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.469 2.197 5.300 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.119 1.307 6.045 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.739 0.574 5.979 1.00 0.00 H new ATOM 469 N LEU A 32 5.325 -1.786 2.933 1.00 0.00 N ATOM 470 CA LEU A 32 4.737 -2.383 1.745 1.00 0.00 C ATOM 471 C LEU A 32 3.846 -1.352 1.050 1.00 0.00 C ATOM 472 O LEU A 32 3.553 -0.298 1.613 1.00 0.00 O ATOM 473 CB LEU A 32 4.012 -3.682 2.102 1.00 0.00 C ATOM 474 CG LEU A 32 4.905 -4.867 2.477 1.00 0.00 C ATOM 475 CD1 LEU A 32 6.002 -5.079 1.432 1.00 0.00 C ATOM 476 CD2 LEU A 32 5.479 -4.696 3.885 1.00 0.00 C ATOM 0 H LEU A 32 4.686 -1.688 3.722 1.00 0.00 H new ATOM 0 HA LEU A 32 5.514 -2.664 1.034 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.339 -3.482 2.935 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.392 -3.974 1.254 1.00 0.00 H new ATOM 0 HG LEU A 32 4.292 -5.768 2.487 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.622 -5.927 1.723 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.547 -5.278 0.462 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.620 -4.183 1.366 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.110 -5.551 4.127 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.073 -3.783 3.927 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.663 -4.631 4.605 1.00 0.00 H new ATOM 488 N GLU A 33 3.438 -1.692 -0.164 1.00 0.00 N ATOM 489 CA GLU A 33 2.586 -0.809 -0.942 1.00 0.00 C ATOM 490 C GLU A 33 1.128 -1.264 -0.852 1.00 0.00 C ATOM 491 O GLU A 33 0.830 -2.445 -1.026 1.00 0.00 O ATOM 492 CB GLU A 33 3.050 -0.742 -2.399 1.00 0.00 C ATOM 493 CG GLU A 33 2.081 0.084 -3.246 1.00 0.00 C ATOM 494 CD GLU A 33 2.818 0.804 -4.377 1.00 0.00 C ATOM 495 OE1 GLU A 33 3.220 0.102 -5.330 1.00 0.00 O ATOM 496 OE2 GLU A 33 2.963 2.041 -4.263 1.00 0.00 O ATOM 0 H GLU A 33 3.682 -2.567 -0.628 1.00 0.00 H new ATOM 0 HA GLU A 33 2.660 0.195 -0.525 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.046 -0.302 -2.447 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.126 -1.750 -2.807 1.00 0.00 H new ATOM 0 HG2 GLU A 33 1.313 -0.566 -3.664 1.00 0.00 H new ATOM 0 HG3 GLU A 33 1.573 0.814 -2.616 1.00 0.00 H new ATOM 503 N VAL A 34 0.257 -0.303 -0.581 1.00 0.00 N ATOM 504 CA VAL A 34 -1.163 -0.589 -0.465 1.00 0.00 C ATOM 505 C VAL A 34 -1.820 -0.452 -1.840 1.00 0.00 C ATOM 506 O VAL A 34 -1.595 0.531 -2.544 1.00 0.00 O ATOM 507 CB VAL A 34 -1.795 0.317 0.593 1.00 0.00 C ATOM 508 CG1 VAL A 34 -1.725 1.785 0.170 1.00 0.00 C ATOM 509 CG2 VAL A 34 -3.238 -0.102 0.882 1.00 0.00 C ATOM 0 H VAL A 34 0.508 0.675 -0.438 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.320 -1.614 -0.130 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.223 0.206 1.514 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.181 2.408 0.940 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.683 2.076 0.038 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.261 1.919 -0.770 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.664 0.558 1.637 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.827 -0.034 -0.033 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.252 -1.129 1.248 1.00 0.00 H new ATOM 519 N LEU A 35 -2.619 -1.452 -2.181 1.00 0.00 N ATOM 520 CA LEU A 35 -3.310 -1.455 -3.459 1.00 0.00 C ATOM 521 C LEU A 35 -4.819 -1.373 -3.218 1.00 0.00 C ATOM 522 O LEU A 35 -5.507 -0.563 -3.838 1.00 0.00 O ATOM 523 CB LEU A 35 -2.886 -2.665 -4.295 1.00 0.00 C ATOM 524 CG LEU A 35 -1.483 -3.212 -4.019 1.00 0.00 C ATOM 525 CD1 LEU A 35 -1.360 -4.664 -4.486 1.00 0.00 C ATOM 526 CD2 LEU A 35 -0.413 -2.316 -4.645 1.00 0.00 C ATOM 0 H LEU A 35 -2.803 -2.266 -1.594 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.032 -0.579 -4.044 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.606 -3.466 -4.130 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.948 -2.393 -5.349 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.319 -3.205 -2.941 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.354 -5.029 -4.279 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.086 -5.280 -3.955 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.552 -4.719 -5.558 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.574 -2.727 -4.434 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.564 -2.268 -5.723 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.486 -1.313 -4.224 1.00 0.00 H new ATOM 538 N GLU A 36 -5.289 -2.223 -2.317 1.00 0.00 N ATOM 539 CA GLU A 36 -6.703 -2.257 -1.987 1.00 0.00 C ATOM 540 C GLU A 36 -6.908 -1.964 -0.499 1.00 0.00 C ATOM 541 O GLU A 36 -6.281 -2.592 0.353 1.00 0.00 O ATOM 542 CB GLU A 36 -7.324 -3.601 -2.372 1.00 0.00 C ATOM 543 CG GLU A 36 -8.231 -3.456 -3.596 1.00 0.00 C ATOM 544 CD GLU A 36 -9.314 -2.402 -3.354 1.00 0.00 C ATOM 545 OE1 GLU A 36 -10.242 -2.711 -2.575 1.00 0.00 O ATOM 546 OE2 GLU A 36 -9.189 -1.312 -3.953 1.00 0.00 O ATOM 0 H GLU A 36 -4.715 -2.893 -1.805 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.209 -1.482 -2.563 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.535 -4.323 -2.583 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.899 -3.993 -1.533 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.634 -3.177 -4.464 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.696 -4.415 -3.824 1.00 0.00 H new ATOM 553 N ASP A 37 -7.788 -1.010 -0.232 1.00 0.00 N ATOM 554 CA ASP A 37 -8.083 -0.627 1.138 1.00 0.00 C ATOM 555 C ASP A 37 -9.590 -0.405 1.288 1.00 0.00 C ATOM 556 O ASP A 37 -10.327 -0.444 0.304 1.00 0.00 O ATOM 557 CB ASP A 37 -7.374 0.677 1.511 1.00 0.00 C ATOM 558 CG ASP A 37 -8.097 1.953 1.077 1.00 0.00 C ATOM 559 OD1 ASP A 37 -8.841 1.872 0.075 1.00 0.00 O ATOM 560 OD2 ASP A 37 -7.890 2.981 1.756 1.00 0.00 O ATOM 0 H ASP A 37 -8.306 -0.491 -0.941 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.736 -1.426 1.793 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.240 0.703 2.592 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.379 0.672 1.066 1.00 0.00 H new ATOM 565 N GLY A 38 -10.002 -0.177 2.526 1.00 0.00 N ATOM 566 CA GLY A 38 -11.407 0.051 2.817 1.00 0.00 C ATOM 567 C GLY A 38 -12.071 -1.222 3.346 1.00 0.00 C ATOM 568 O GLY A 38 -13.191 -1.177 3.852 1.00 0.00 O ATOM 0 H GLY A 38 -9.387 -0.145 3.339 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -11.505 0.849 3.553 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -11.919 0.385 1.915 1.00 0.00 H new ATOM 572 N ARG A 39 -11.353 -2.326 3.209 1.00 0.00 N ATOM 573 CA ARG A 39 -11.859 -3.609 3.667 1.00 0.00 C ATOM 574 C ARG A 39 -11.071 -4.086 4.888 1.00 0.00 C ATOM 575 O ARG A 39 -9.991 -3.570 5.175 1.00 0.00 O ATOM 576 CB ARG A 39 -11.762 -4.665 2.563 1.00 0.00 C ATOM 577 CG ARG A 39 -13.078 -5.433 2.422 1.00 0.00 C ATOM 578 CD ARG A 39 -12.871 -6.926 2.682 1.00 0.00 C ATOM 579 NE ARG A 39 -12.649 -7.637 1.403 1.00 0.00 N ATOM 580 CZ ARG A 39 -12.034 -8.823 1.299 1.00 0.00 C ATOM 581 NH1 ARG A 39 -11.576 -9.438 2.398 1.00 0.00 N ATOM 582 NH2 ARG A 39 -11.878 -9.393 0.097 1.00 0.00 N ATOM 0 H ARG A 39 -10.425 -2.359 2.787 1.00 0.00 H new ATOM 0 HA ARG A 39 -12.907 -3.475 3.936 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -11.514 -4.185 1.616 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -10.954 -5.360 2.790 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -13.812 -5.036 3.124 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -13.483 -5.287 1.421 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -12.017 -7.073 3.342 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -13.742 -7.339 3.191 1.00 0.00 H new ATOM 0 HE ARG A 39 -12.985 -7.196 0.547 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -11.696 -9.003 3.313 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -11.108 -10.341 2.320 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -12.227 -8.924 -0.739 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -11.410 -10.296 0.018 1.00 0.00 H new ATOM 596 N GLN A 40 -11.641 -5.064 5.576 1.00 0.00 N ATOM 597 CA GLN A 40 -11.005 -5.616 6.760 1.00 0.00 C ATOM 598 C GLN A 40 -9.515 -5.849 6.503 1.00 0.00 C ATOM 599 O GLN A 40 -8.667 -5.246 7.158 1.00 0.00 O ATOM 600 CB GLN A 40 -11.695 -6.908 7.201 1.00 0.00 C ATOM 601 CG GLN A 40 -13.036 -6.612 7.875 1.00 0.00 C ATOM 602 CD GLN A 40 -12.831 -6.096 9.301 1.00 0.00 C ATOM 603 OE1 GLN A 40 -11.993 -5.250 9.567 1.00 0.00 O ATOM 604 NE2 GLN A 40 -13.641 -6.650 10.198 1.00 0.00 N ATOM 0 H GLN A 40 -12.537 -5.489 5.336 1.00 0.00 H new ATOM 0 HA GLN A 40 -11.104 -4.895 7.572 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -11.853 -7.553 6.337 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.050 -7.452 7.891 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -13.585 -5.872 7.292 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -13.644 -7.516 7.896 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -14.320 -7.353 9.906 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -13.583 -6.372 11.178 1.00 0.00 H new ATOM 613 N TRP A 41 -9.242 -6.725 5.548 1.00 0.00 N ATOM 614 CA TRP A 41 -7.869 -7.046 5.196 1.00 0.00 C ATOM 615 C TRP A 41 -7.501 -6.241 3.948 1.00 0.00 C ATOM 616 O TRP A 41 -8.252 -6.220 2.975 1.00 0.00 O ATOM 617 CB TRP A 41 -7.689 -8.554 5.010 1.00 0.00 C ATOM 618 CG TRP A 41 -7.928 -9.371 6.281 1.00 0.00 C ATOM 619 CD1 TRP A 41 -9.009 -9.367 7.073 1.00 0.00 C ATOM 620 CD2 TRP A 41 -7.019 -10.319 6.878 1.00 0.00 C ATOM 621 NE1 TRP A 41 -8.864 -10.239 8.132 1.00 0.00 N ATOM 622 CE2 TRP A 41 -7.615 -10.837 8.010 1.00 0.00 C ATOM 623 CE3 TRP A 41 -5.735 -10.726 6.474 1.00 0.00 C ATOM 624 CZ2 TRP A 41 -7.001 -11.789 8.832 1.00 0.00 C ATOM 625 CZ3 TRP A 41 -5.135 -11.679 7.306 1.00 0.00 C ATOM 626 CH2 TRP A 41 -5.721 -12.209 8.449 1.00 0.00 C ATOM 0 H TRP A 41 -9.948 -7.223 5.006 1.00 0.00 H new ATOM 0 HA TRP A 41 -7.189 -6.769 6.002 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -8.374 -8.898 4.235 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -6.678 -8.747 4.651 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -9.884 -8.757 6.903 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -9.547 -10.413 8.869 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -5.250 -10.335 5.592 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -7.488 -12.179 9.714 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -4.147 -12.027 7.041 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -5.192 -12.942 9.040 1.00 0.00 H new ATOM 637 N TRP A 42 -6.345 -5.598 4.018 1.00 0.00 N ATOM 638 CA TRP A 42 -5.867 -4.793 2.906 1.00 0.00 C ATOM 639 C TRP A 42 -5.052 -5.700 1.982 1.00 0.00 C ATOM 640 O TRP A 42 -4.608 -6.772 2.392 1.00 0.00 O ATOM 641 CB TRP A 42 -5.076 -3.583 3.405 1.00 0.00 C ATOM 642 CG TRP A 42 -5.863 -2.672 4.350 1.00 0.00 C ATOM 643 CD1 TRP A 42 -7.136 -2.798 4.748 1.00 0.00 C ATOM 644 CD2 TRP A 42 -5.372 -1.482 5.003 1.00 0.00 C ATOM 645 NE1 TRP A 42 -7.501 -1.781 5.606 1.00 0.00 N ATOM 646 CE2 TRP A 42 -6.394 -0.955 5.767 1.00 0.00 C ATOM 647 CE3 TRP A 42 -4.107 -0.871 4.951 1.00 0.00 C ATOM 648 CZ2 TRP A 42 -6.256 0.207 6.535 1.00 0.00 C ATOM 649 CZ3 TRP A 42 -3.985 0.290 5.725 1.00 0.00 C ATOM 650 CH2 TRP A 42 -5.004 0.833 6.498 1.00 0.00 C ATOM 0 H TRP A 42 -5.725 -5.618 4.828 1.00 0.00 H new ATOM 0 HA TRP A 42 -6.703 -4.381 2.341 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -4.180 -3.934 3.917 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -4.744 -2.999 2.546 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -7.794 -3.596 4.436 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -8.415 -1.658 6.042 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -3.293 -1.266 4.361 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -7.071 0.600 7.124 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -3.032 0.799 5.721 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -4.831 1.734 7.068 1.00 0.00 H new ATOM 661 N LYS A 43 -4.881 -5.238 0.752 1.00 0.00 N ATOM 662 CA LYS A 43 -4.128 -5.994 -0.233 1.00 0.00 C ATOM 663 C LYS A 43 -2.836 -5.244 -0.567 1.00 0.00 C ATOM 664 O LYS A 43 -2.848 -4.302 -1.356 1.00 0.00 O ATOM 665 CB LYS A 43 -4.996 -6.296 -1.456 1.00 0.00 C ATOM 666 CG LYS A 43 -4.537 -7.578 -2.152 1.00 0.00 C ATOM 667 CD LYS A 43 -5.352 -7.835 -3.421 1.00 0.00 C ATOM 668 CE LYS A 43 -4.472 -8.415 -4.530 1.00 0.00 C ATOM 669 NZ LYS A 43 -5.215 -8.464 -5.809 1.00 0.00 N ATOM 0 H LYS A 43 -5.251 -4.349 0.415 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.839 -6.964 0.172 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.038 -6.397 -1.151 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.948 -5.461 -2.155 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.479 -7.500 -2.404 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.641 -8.423 -1.471 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.167 -8.524 -3.201 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.805 -6.904 -3.761 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.575 -7.806 -4.647 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.143 -9.417 -4.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.603 -8.860 -6.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.058 -9.064 -5.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.507 -7.503 -6.078 1.00 0.00 H new ATOM 683 N LEU A 44 -1.753 -5.692 0.052 1.00 0.00 N ATOM 684 CA LEU A 44 -0.456 -5.075 -0.169 1.00 0.00 C ATOM 685 C LEU A 44 0.366 -5.952 -1.115 1.00 0.00 C ATOM 686 O LEU A 44 0.002 -7.097 -1.380 1.00 0.00 O ATOM 687 CB LEU A 44 0.237 -4.793 1.166 1.00 0.00 C ATOM 688 CG LEU A 44 -0.659 -4.268 2.289 1.00 0.00 C ATOM 689 CD1 LEU A 44 -1.402 -3.004 1.852 1.00 0.00 C ATOM 690 CD2 LEU A 44 -1.617 -5.355 2.781 1.00 0.00 C ATOM 0 H LEU A 44 -1.747 -6.475 0.706 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.572 -4.105 -0.653 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.712 -5.713 1.507 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.032 -4.068 0.994 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.024 -3.994 3.132 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.032 -2.651 2.669 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.681 -2.230 1.590 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.024 -3.229 0.985 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.242 -4.955 3.579 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.248 -5.684 1.956 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.044 -6.201 3.159 1.00 0.00 H new ATOM 702 N ARG A 45 1.458 -5.381 -1.600 1.00 0.00 N ATOM 703 CA ARG A 45 2.335 -6.096 -2.512 1.00 0.00 C ATOM 704 C ARG A 45 3.790 -5.976 -2.053 1.00 0.00 C ATOM 705 O ARG A 45 4.325 -4.873 -1.955 1.00 0.00 O ATOM 706 CB ARG A 45 2.210 -5.552 -3.936 1.00 0.00 C ATOM 707 CG ARG A 45 3.074 -6.358 -4.909 1.00 0.00 C ATOM 708 CD ARG A 45 3.619 -5.466 -6.027 1.00 0.00 C ATOM 709 NE ARG A 45 4.355 -4.321 -5.447 1.00 0.00 N ATOM 710 CZ ARG A 45 4.992 -3.392 -6.174 1.00 0.00 C ATOM 711 NH1 ARG A 45 4.987 -3.468 -7.511 1.00 0.00 N ATOM 712 NH2 ARG A 45 5.635 -2.388 -5.562 1.00 0.00 N ATOM 0 H ARG A 45 1.756 -4.431 -1.379 1.00 0.00 H new ATOM 0 HA ARG A 45 2.035 -7.144 -2.508 1.00 0.00 H new ATOM 0 HB2 ARG A 45 1.168 -5.589 -4.253 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.512 -4.505 -3.957 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.902 -6.818 -4.370 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.485 -7.168 -5.340 1.00 0.00 H new ATOM 0 HD2 ARG A 45 4.279 -6.043 -6.675 1.00 0.00 H new ATOM 0 HD3 ARG A 45 2.799 -5.105 -6.648 1.00 0.00 H new ATOM 0 HE ARG A 45 4.379 -4.233 -4.431 1.00 0.00 H new ATOM 0 HH11 ARG A 45 4.498 -4.233 -7.977 1.00 0.00 H new ATOM 0 HH12 ARG A 45 5.472 -2.761 -8.064 1.00 0.00 H new ATOM 0 HH21 ARG A 45 5.640 -2.331 -4.544 1.00 0.00 H new ATOM 0 HH22 ARG A 45 6.120 -1.681 -6.115 1.00 0.00 H new ATOM 726 N SER A 46 4.389 -7.127 -1.784 1.00 0.00 N ATOM 727 CA SER A 46 5.771 -7.165 -1.338 1.00 0.00 C ATOM 728 C SER A 46 6.699 -6.724 -2.472 1.00 0.00 C ATOM 729 O SER A 46 6.524 -7.136 -3.618 1.00 0.00 O ATOM 730 CB SER A 46 6.154 -8.564 -0.852 1.00 0.00 C ATOM 731 OG SER A 46 7.163 -8.522 0.154 1.00 0.00 O ATOM 0 H SER A 46 3.942 -8.040 -1.866 1.00 0.00 H new ATOM 0 HA SER A 46 5.879 -6.476 -0.500 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.270 -9.066 -0.458 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.508 -9.157 -1.696 1.00 0.00 H new ATOM 0 HG SER A 46 7.379 -9.434 0.439 1.00 0.00 H new ATOM 737 N ARG A 47 7.666 -5.892 -2.113 1.00 0.00 N ATOM 738 CA ARG A 47 8.621 -5.391 -3.086 1.00 0.00 C ATOM 739 C ARG A 47 9.186 -6.544 -3.918 1.00 0.00 C ATOM 740 O ARG A 47 9.687 -6.331 -5.021 1.00 0.00 O ATOM 741 CB ARG A 47 9.774 -4.656 -2.398 1.00 0.00 C ATOM 742 CG ARG A 47 10.367 -5.502 -1.269 1.00 0.00 C ATOM 743 CD ARG A 47 11.405 -6.488 -1.811 1.00 0.00 C ATOM 744 NE ARG A 47 12.764 -6.066 -1.406 1.00 0.00 N ATOM 745 CZ ARG A 47 13.816 -6.893 -1.331 1.00 0.00 C ATOM 746 NH1 ARG A 47 13.672 -8.190 -1.633 1.00 0.00 N ATOM 747 NH2 ARG A 47 15.012 -6.422 -0.953 1.00 0.00 N ATOM 0 H ARG A 47 7.808 -5.553 -1.162 1.00 0.00 H new ATOM 0 HA ARG A 47 8.095 -4.692 -3.737 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.549 -4.423 -3.128 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.418 -3.707 -1.998 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.830 -4.852 -0.527 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.571 -6.048 -0.762 1.00 0.00 H new ATOM 0 HD2 ARG A 47 11.199 -7.490 -1.434 1.00 0.00 H new ATOM 0 HD3 ARG A 47 11.339 -6.537 -2.898 1.00 0.00 H new ATOM 0 HE ARG A 47 12.909 -5.085 -1.169 1.00 0.00 H new ATOM 0 HH11 ARG A 47 12.761 -8.549 -1.920 1.00 0.00 H new ATOM 0 HH12 ARG A 47 14.473 -8.819 -1.576 1.00 0.00 H new ATOM 0 HH21 ARG A 47 15.122 -5.434 -0.722 1.00 0.00 H new ATOM 0 HH22 ARG A 47 15.813 -7.051 -0.896 1.00 0.00 H new ATOM 761 N SER A 48 9.085 -7.741 -3.358 1.00 0.00 N ATOM 762 CA SER A 48 9.579 -8.928 -4.035 1.00 0.00 C ATOM 763 C SER A 48 8.742 -9.204 -5.285 1.00 0.00 C ATOM 764 O SER A 48 9.218 -9.832 -6.229 1.00 0.00 O ATOM 765 CB SER A 48 9.559 -10.142 -3.104 1.00 0.00 C ATOM 766 OG SER A 48 10.869 -10.520 -2.690 1.00 0.00 O ATOM 0 H SER A 48 8.668 -7.914 -2.443 1.00 0.00 H new ATOM 0 HA SER A 48 10.613 -8.748 -4.330 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.953 -9.916 -2.227 1.00 0.00 H new ATOM 0 HB3 SER A 48 9.084 -10.981 -3.612 1.00 0.00 H new ATOM 0 HG SER A 48 10.813 -11.297 -2.096 1.00 0.00 H new ATOM 772 N GLY A 49 7.509 -8.721 -5.251 1.00 0.00 N ATOM 773 CA GLY A 49 6.601 -8.908 -6.370 1.00 0.00 C ATOM 774 C GLY A 49 5.475 -9.879 -6.006 1.00 0.00 C ATOM 775 O GLY A 49 4.942 -10.570 -6.874 1.00 0.00 O ATOM 0 H GLY A 49 7.117 -8.200 -4.466 1.00 0.00 H new ATOM 0 HA2 GLY A 49 6.177 -7.948 -6.664 1.00 0.00 H new ATOM 0 HA3 GLY A 49 7.151 -9.290 -7.230 1.00 0.00 H new ATOM 779 N GLN A 50 5.147 -9.901 -4.723 1.00 0.00 N ATOM 780 CA GLN A 50 4.095 -10.775 -4.234 1.00 0.00 C ATOM 781 C GLN A 50 2.968 -9.952 -3.608 1.00 0.00 C ATOM 782 O GLN A 50 3.219 -9.081 -2.776 1.00 0.00 O ATOM 783 CB GLN A 50 4.649 -11.794 -3.236 1.00 0.00 C ATOM 784 CG GLN A 50 5.919 -12.456 -3.775 1.00 0.00 C ATOM 785 CD GLN A 50 5.583 -13.708 -4.587 1.00 0.00 C ATOM 786 OE1 GLN A 50 5.192 -13.645 -5.741 1.00 0.00 O ATOM 787 NE2 GLN A 50 5.756 -14.847 -3.922 1.00 0.00 N ATOM 0 H GLN A 50 5.592 -9.327 -4.007 1.00 0.00 H new ATOM 0 HA GLN A 50 3.687 -11.328 -5.080 1.00 0.00 H new ATOM 0 HB2 GLN A 50 4.866 -11.300 -2.289 1.00 0.00 H new ATOM 0 HB3 GLN A 50 3.896 -12.555 -3.033 1.00 0.00 H new ATOM 0 HG2 GLN A 50 6.465 -11.749 -4.400 1.00 0.00 H new ATOM 0 HG3 GLN A 50 6.575 -12.721 -2.946 1.00 0.00 H new ATOM 0 HE21 GLN A 50 6.086 -14.829 -2.957 1.00 0.00 H new ATOM 0 HE22 GLN A 50 5.558 -15.738 -4.377 1.00 0.00 H new ATOM 796 N ALA A 51 1.750 -10.256 -4.032 1.00 0.00 N ATOM 797 CA ALA A 51 0.584 -9.554 -3.524 1.00 0.00 C ATOM 798 C ALA A 51 -0.276 -10.525 -2.712 1.00 0.00 C ATOM 799 O ALA A 51 -0.621 -11.604 -3.192 1.00 0.00 O ATOM 800 CB ALA A 51 -0.185 -8.929 -4.690 1.00 0.00 C ATOM 0 H ALA A 51 1.546 -10.979 -4.722 1.00 0.00 H new ATOM 0 HA ALA A 51 0.883 -8.743 -2.860 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.060 -8.402 -4.308 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.461 -8.226 -5.216 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.504 -9.713 -5.377 1.00 0.00 H new ATOM 806 N GLY A 52 -0.598 -10.107 -1.497 1.00 0.00 N ATOM 807 CA GLY A 52 -1.411 -10.926 -0.614 1.00 0.00 C ATOM 808 C GLY A 52 -2.231 -10.056 0.341 1.00 0.00 C ATOM 809 O GLY A 52 -2.095 -8.833 0.343 1.00 0.00 O ATOM 0 H GLY A 52 -0.310 -9.211 -1.103 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.079 -11.552 -1.206 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.770 -11.596 -0.041 1.00 0.00 H new ATOM 813 N TYR A 53 -3.063 -10.721 1.129 1.00 0.00 N ATOM 814 CA TYR A 53 -3.904 -10.023 2.087 1.00 0.00 C ATOM 815 C TYR A 53 -3.369 -10.190 3.510 1.00 0.00 C ATOM 816 O TYR A 53 -2.783 -11.220 3.840 1.00 0.00 O ATOM 817 CB TYR A 53 -5.283 -10.679 1.993 1.00 0.00 C ATOM 818 CG TYR A 53 -6.079 -10.279 0.749 1.00 0.00 C ATOM 819 CD1 TYR A 53 -6.559 -8.991 0.622 1.00 0.00 C ATOM 820 CD2 TYR A 53 -6.317 -11.205 -0.246 1.00 0.00 C ATOM 821 CE1 TYR A 53 -7.309 -8.614 -0.549 1.00 0.00 C ATOM 822 CE2 TYR A 53 -7.067 -10.828 -1.416 1.00 0.00 C ATOM 823 CZ TYR A 53 -7.526 -9.552 -1.510 1.00 0.00 C ATOM 824 OH TYR A 53 -8.233 -9.196 -2.615 1.00 0.00 O ATOM 0 H TYR A 53 -3.173 -11.735 1.124 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.932 -8.956 1.867 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -5.160 -11.762 2.000 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -5.860 -10.418 2.880 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -6.372 -8.266 1.400 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -5.941 -12.213 -0.147 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -7.690 -7.610 -0.661 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -7.261 -11.543 -2.202 1.00 0.00 H new ATOM 0 HH TYR A 53 -7.930 -9.726 -3.382 1.00 0.00 H new ATOM 834 N VAL A 54 -3.591 -9.162 4.316 1.00 0.00 N ATOM 835 CA VAL A 54 -3.138 -9.182 5.696 1.00 0.00 C ATOM 836 C VAL A 54 -4.066 -8.311 6.545 1.00 0.00 C ATOM 837 O VAL A 54 -4.853 -7.531 6.010 1.00 0.00 O ATOM 838 CB VAL A 54 -1.674 -8.746 5.773 1.00 0.00 C ATOM 839 CG1 VAL A 54 -0.743 -9.959 5.824 1.00 0.00 C ATOM 840 CG2 VAL A 54 -1.313 -7.827 4.605 1.00 0.00 C ATOM 0 H VAL A 54 -4.079 -8.310 4.039 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.183 -10.194 6.098 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.541 -8.182 6.696 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.292 -9.621 5.878 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.975 -10.559 6.704 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.881 -10.562 4.926 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.267 -7.532 4.684 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.471 -8.355 3.664 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.944 -6.938 4.633 1.00 0.00 H new ATOM 850 N PRO A 55 -3.941 -8.477 7.889 1.00 0.00 N ATOM 851 CA PRO A 55 -4.759 -7.715 8.817 1.00 0.00 C ATOM 852 C PRO A 55 -4.273 -6.268 8.916 1.00 0.00 C ATOM 853 O PRO A 55 -3.072 -6.008 8.870 1.00 0.00 O ATOM 854 CB PRO A 55 -4.661 -8.466 10.135 1.00 0.00 C ATOM 855 CG PRO A 55 -3.430 -9.350 10.021 1.00 0.00 C ATOM 856 CD PRO A 55 -3.020 -9.391 8.558 1.00 0.00 C ATOM 0 HA PRO A 55 -5.797 -7.635 8.495 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -4.569 -7.774 10.973 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -5.556 -9.063 10.312 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.619 -8.956 10.634 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.646 -10.354 10.385 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.985 -9.075 8.428 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -3.099 -10.400 8.153 1.00 0.00 H new ATOM 864 N CYS A 56 -5.232 -5.363 9.050 1.00 0.00 N ATOM 865 CA CYS A 56 -4.917 -3.949 9.155 1.00 0.00 C ATOM 866 C CYS A 56 -4.526 -3.650 10.604 1.00 0.00 C ATOM 867 O CYS A 56 -4.240 -2.505 10.950 1.00 0.00 O ATOM 868 CB CYS A 56 -6.081 -3.073 8.686 1.00 0.00 C ATOM 869 SG CYS A 56 -7.510 -3.278 9.810 1.00 0.00 S ATOM 0 H CYS A 56 -6.227 -5.582 9.088 1.00 0.00 H new ATOM 0 HA CYS A 56 -4.081 -3.711 8.497 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -5.774 -2.028 8.662 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -6.365 -3.345 7.669 1.00 0.00 H new ATOM 0 HG CYS A 56 -8.492 -2.529 9.405 1.00 0.00 H new ATOM 875 N ASN A 57 -4.528 -4.700 11.412 1.00 0.00 N ATOM 876 CA ASN A 57 -4.177 -4.565 12.816 1.00 0.00 C ATOM 877 C ASN A 57 -2.664 -4.376 12.943 1.00 0.00 C ATOM 878 O ASN A 57 -2.187 -3.799 13.919 1.00 0.00 O ATOM 879 CB ASN A 57 -4.565 -5.818 13.603 1.00 0.00 C ATOM 880 CG ASN A 57 -5.659 -5.507 14.626 1.00 0.00 C ATOM 881 OD1 ASN A 57 -6.812 -5.290 14.293 1.00 0.00 O ATOM 882 ND2 ASN A 57 -5.234 -5.496 15.886 1.00 0.00 N ATOM 0 H ASN A 57 -4.767 -5.648 11.121 1.00 0.00 H new ATOM 0 HA ASN A 57 -4.715 -3.706 13.217 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.913 -6.590 12.916 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -3.688 -6.217 14.113 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -5.888 -5.297 16.643 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -4.254 -5.686 16.095 1.00 0.00 H new ATOM 889 N ILE A 58 -1.951 -4.872 11.943 1.00 0.00 N ATOM 890 CA ILE A 58 -0.502 -4.765 11.931 1.00 0.00 C ATOM 891 C ILE A 58 -0.087 -3.629 10.994 1.00 0.00 C ATOM 892 O ILE A 58 1.028 -3.119 11.087 1.00 0.00 O ATOM 893 CB ILE A 58 0.132 -6.113 11.582 1.00 0.00 C ATOM 894 CG1 ILE A 58 -0.244 -6.545 10.163 1.00 0.00 C ATOM 895 CG2 ILE A 58 -0.232 -7.175 12.621 1.00 0.00 C ATOM 896 CD1 ILE A 58 0.373 -7.903 9.822 1.00 0.00 C ATOM 0 H ILE A 58 -2.350 -5.349 11.135 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.130 -4.512 12.924 1.00 0.00 H new ATOM 0 HB ILE A 58 1.216 -5.998 11.606 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.329 -6.601 10.071 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.098 -5.796 9.448 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.231 -8.124 12.349 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.128 -6.863 13.602 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.315 -7.296 12.653 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.090 -8.187 8.808 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.459 -7.837 9.891 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.010 -8.654 10.524 1.00 0.00 H new ATOM 908 N LEU A 59 -1.007 -3.266 10.112 1.00 0.00 N ATOM 909 CA LEU A 59 -0.751 -2.200 9.159 1.00 0.00 C ATOM 910 C LEU A 59 -0.628 -0.871 9.907 1.00 0.00 C ATOM 911 O LEU A 59 -1.160 -0.722 11.006 1.00 0.00 O ATOM 912 CB LEU A 59 -1.819 -2.192 8.063 1.00 0.00 C ATOM 913 CG LEU A 59 -1.908 -3.456 7.205 1.00 0.00 C ATOM 914 CD1 LEU A 59 -3.054 -3.353 6.196 1.00 0.00 C ATOM 915 CD2 LEU A 59 -0.571 -3.753 6.525 1.00 0.00 C ATOM 0 H LEU A 59 -1.931 -3.692 10.038 1.00 0.00 H new ATOM 0 HA LEU A 59 0.197 -2.367 8.647 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.790 -2.025 8.530 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.631 -1.343 7.406 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.129 -4.299 7.860 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.096 -4.264 5.599 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.997 -3.224 6.728 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.887 -2.497 5.542 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.662 -4.656 5.922 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.294 -2.915 5.885 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.198 -3.899 7.283 1.00 0.00 H new ATOM 927 N GLY A 60 0.076 0.061 9.282 1.00 0.00 N ATOM 928 CA GLY A 60 0.275 1.372 9.875 1.00 0.00 C ATOM 929 C GLY A 60 0.593 2.417 8.803 1.00 0.00 C ATOM 930 O GLY A 60 1.266 2.116 7.818 1.00 0.00 O ATOM 0 H GLY A 60 0.516 -0.066 8.370 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.621 1.668 10.421 1.00 0.00 H new ATOM 0 HA3 GLY A 60 1.090 1.328 10.598 1.00 0.00 H new