USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 628 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 39 ASN : amide:sc= -5.72! C(o=-9.7!,f=-13!) USER MOD Set 1.2: A 42 GLN : amide:sc= -3.94! C(o=-9.7!,f=-11!) USER MOD Set 2.1: A 27 SER OG : rot 11:sc= 0.913 USER MOD Set 2.2: A 40 GLN : amide:sc= -5.4! C(o=-4.5!,f=-2.6!) USER MOD Single : A 16 CYS SG : rot -90:sc= -0.696 USER MOD Single : A 18 ASN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 21 TYR OH : rot 165:sc= -0.378 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 151:sc= 0.181 (180deg=0.0276) USER MOD Single : A 34 ASN : amide:sc= -1.75 K(o=-1.8,f=-1.2) USER MOD Single : A 43 TYR OH : rot 172:sc= 0.44 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot -119:sc= 0.00115 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 MET CE :methyl -166:sc= -0.502 (180deg=-0.844) USER MOD Single : A 52 MET CE :methyl 168:sc= -1.12 (180deg=-1.53) USER MOD Single : A 55 LYS NZ :NH3+ 168:sc=-0.000612 (180deg=-0.121) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -154:sc=-0.00079 (180deg=-0.402) USER MOD Single : A 69 CYS SG : rot 180:sc= -0.851 USER MOD Single : A 77 LYS NZ :NH3+ -164:sc= -1.12 (180deg=-1.65) USER MOD Single : A 83 LYS NZ :NH3+ 164:sc= 0.00499 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 120 N LEU A 11 1.111 7.026 4.734 1.00 0.00 N ATOM 121 CA LEU A 11 2.157 6.072 4.385 1.00 0.00 C ATOM 122 C LEU A 11 2.061 4.818 5.248 1.00 0.00 C ATOM 123 O LEU A 11 2.544 3.752 4.867 1.00 0.00 O ATOM 124 CB LEU A 11 3.536 6.714 4.552 1.00 0.00 C ATOM 125 CG LEU A 11 4.706 5.969 3.908 1.00 0.00 C ATOM 126 CD1 LEU A 11 4.897 6.416 2.467 1.00 0.00 C ATOM 127 CD2 LEU A 11 5.981 6.185 4.709 1.00 0.00 C ATOM 0 HA LEU A 11 2.019 5.785 3.343 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.499 7.721 4.135 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.740 6.817 5.618 1.00 0.00 H new ATOM 0 HG LEU A 11 4.477 4.903 3.908 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.734 5.875 2.026 1.00 0.00 H new ATOM 0 HD12 LEU A 11 3.991 6.208 1.898 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.104 7.486 2.442 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.803 5.648 4.236 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.214 7.249 4.742 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.840 5.813 5.724 1.00 0.00 H new ATOM 139 N ARG A 12 1.432 4.954 6.411 1.00 0.00 N ATOM 140 CA ARG A 12 1.271 3.832 7.328 1.00 0.00 C ATOM 141 C ARG A 12 0.652 2.633 6.616 1.00 0.00 C ATOM 142 O ARG A 12 0.893 1.484 6.986 1.00 0.00 O ATOM 143 CB ARG A 12 0.399 4.238 8.517 1.00 0.00 C ATOM 144 CG ARG A 12 0.436 3.245 9.668 1.00 0.00 C ATOM 145 CD ARG A 12 1.556 3.566 10.645 1.00 0.00 C ATOM 146 NE ARG A 12 1.561 2.657 11.789 1.00 0.00 N ATOM 147 CZ ARG A 12 2.596 2.514 12.609 1.00 0.00 C ATOM 148 NH1 ARG A 12 3.703 3.217 12.414 1.00 0.00 N ATOM 149 NH2 ARG A 12 2.524 1.666 13.628 1.00 0.00 N ATOM 0 H ARG A 12 1.026 5.830 6.740 1.00 0.00 H new ATOM 0 HA ARG A 12 2.259 3.548 7.691 1.00 0.00 H new ATOM 0 HB2 ARG A 12 0.725 5.213 8.879 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -0.631 4.351 8.179 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -0.520 3.258 10.192 1.00 0.00 H new ATOM 0 HG3 ARG A 12 0.571 2.237 9.276 1.00 0.00 H new ATOM 0 HD2 ARG A 12 2.515 3.506 10.130 1.00 0.00 H new ATOM 0 HD3 ARG A 12 1.447 4.592 10.997 1.00 0.00 H new ATOM 0 HE ARG A 12 0.724 2.102 11.968 1.00 0.00 H new ATOM 0 HH11 ARG A 12 3.761 3.870 11.633 1.00 0.00 H new ATOM 0 HH12 ARG A 12 4.496 3.105 13.045 1.00 0.00 H new ATOM 0 HH21 ARG A 12 1.674 1.124 13.781 1.00 0.00 H new ATOM 0 HH22 ARG A 12 3.319 1.556 14.257 1.00 0.00 H new ATOM 163 N GLY A 13 -0.150 2.908 5.592 1.00 0.00 N ATOM 164 CA GLY A 13 -0.793 1.842 4.845 1.00 0.00 C ATOM 165 C GLY A 13 0.150 0.693 4.546 1.00 0.00 C ATOM 166 O GLY A 13 -0.259 -0.468 4.533 1.00 0.00 O ATOM 0 H GLY A 13 -0.366 3.850 5.266 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -1.647 1.469 5.411 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.182 2.242 3.909 1.00 0.00 H new ATOM 170 N LEU A 14 1.416 1.016 4.306 1.00 0.00 N ATOM 171 CA LEU A 14 2.421 0.002 4.005 1.00 0.00 C ATOM 172 C LEU A 14 2.702 -0.866 5.228 1.00 0.00 C ATOM 173 O LEU A 14 2.428 -2.066 5.224 1.00 0.00 O ATOM 174 CB LEU A 14 3.713 0.663 3.526 1.00 0.00 C ATOM 175 CG LEU A 14 3.584 1.600 2.324 1.00 0.00 C ATOM 176 CD1 LEU A 14 4.842 2.440 2.163 1.00 0.00 C ATOM 177 CD2 LEU A 14 3.304 0.806 1.057 1.00 0.00 C ATOM 0 H LEU A 14 1.771 1.972 4.314 1.00 0.00 H new ATOM 0 HA LEU A 14 2.032 -0.636 3.212 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.138 1.227 4.356 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.427 -0.121 3.275 1.00 0.00 H new ATOM 0 HG LEU A 14 2.744 2.272 2.500 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.731 3.100 1.303 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.998 3.038 3.061 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.700 1.785 2.010 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.215 1.489 0.212 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.122 0.109 0.876 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.374 0.250 1.174 1.00 0.00 H new ATOM 189 N GLU A 15 3.247 -0.249 6.271 1.00 0.00 N ATOM 190 CA GLU A 15 3.564 -0.967 7.501 1.00 0.00 C ATOM 191 C GLU A 15 2.333 -1.689 8.042 1.00 0.00 C ATOM 192 O GLU A 15 2.446 -2.737 8.679 1.00 0.00 O ATOM 193 CB GLU A 15 4.106 0.001 8.556 1.00 0.00 C ATOM 194 CG GLU A 15 5.550 0.412 8.320 1.00 0.00 C ATOM 195 CD GLU A 15 6.533 -0.698 8.642 1.00 0.00 C ATOM 196 OE1 GLU A 15 6.393 -1.799 8.068 1.00 0.00 O ATOM 197 OE2 GLU A 15 7.440 -0.467 9.467 1.00 0.00 O ATOM 0 H GLU A 15 3.478 0.744 6.290 1.00 0.00 H new ATOM 0 HA GLU A 15 4.328 -1.710 7.272 1.00 0.00 H new ATOM 0 HB2 GLU A 15 3.481 0.894 8.573 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.025 -0.463 9.539 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.673 0.711 7.279 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.780 1.285 8.931 1.00 0.00 H new ATOM 204 N CYS A 16 1.161 -1.120 7.784 1.00 0.00 N ATOM 205 CA CYS A 16 -0.091 -1.709 8.246 1.00 0.00 C ATOM 206 C CYS A 16 -0.159 -3.191 7.892 1.00 0.00 C ATOM 207 O CYS A 16 -0.316 -4.042 8.769 1.00 0.00 O ATOM 208 CB CYS A 16 -1.283 -0.971 7.632 1.00 0.00 C ATOM 209 SG CYS A 16 -2.881 -1.749 7.960 1.00 0.00 S ATOM 0 H CYS A 16 1.051 -0.253 7.258 1.00 0.00 H new ATOM 0 HA CYS A 16 -0.131 -1.611 9.331 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -1.302 0.049 8.016 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -1.138 -0.903 6.554 1.00 0.00 H new ATOM 0 HG CYS A 16 -3.151 -2.600 7.015 1.00 0.00 H new ATOM 215 N ILE A 17 -0.040 -3.493 6.604 1.00 0.00 N ATOM 216 CA ILE A 17 -0.087 -4.872 6.136 1.00 0.00 C ATOM 217 C ILE A 17 1.098 -5.673 6.662 1.00 0.00 C ATOM 218 O ILE A 17 2.232 -5.195 6.661 1.00 0.00 O ATOM 219 CB ILE A 17 -0.100 -4.944 4.598 1.00 0.00 C ATOM 220 CG1 ILE A 17 1.008 -4.063 4.016 1.00 0.00 C ATOM 221 CG2 ILE A 17 -1.458 -4.524 4.057 1.00 0.00 C ATOM 222 CD1 ILE A 17 1.233 -4.274 2.535 1.00 0.00 C ATOM 0 H ILE A 17 0.090 -2.801 5.866 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.011 -5.304 6.520 1.00 0.00 H new ATOM 0 HB ILE A 17 0.084 -5.975 4.296 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.759 -3.017 4.192 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.938 -4.263 4.549 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -1.449 -4.581 2.969 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.227 -5.189 4.449 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.672 -3.501 4.365 1.00 0.00 H new ATOM 0 HD11 ILE A 17 2.032 -3.617 2.191 1.00 0.00 H new ATOM 0 HD12 ILE A 17 1.513 -5.312 2.354 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.316 -4.046 1.992 1.00 0.00 H new ATOM 234 N ASN A 18 0.828 -6.895 7.111 1.00 0.00 N ATOM 235 CA ASN A 18 1.873 -7.764 7.639 1.00 0.00 C ATOM 236 C ASN A 18 2.927 -8.056 6.576 1.00 0.00 C ATOM 237 O ASN A 18 2.615 -8.165 5.389 1.00 0.00 O ATOM 238 CB ASN A 18 1.268 -9.074 8.147 1.00 0.00 C ATOM 239 CG ASN A 18 0.354 -8.864 9.339 1.00 0.00 C ATOM 240 OD1 ASN A 18 -0.757 -8.352 9.202 1.00 0.00 O ATOM 241 ND2 ASN A 18 0.820 -9.261 10.518 1.00 0.00 N ATOM 0 H ASN A 18 -0.106 -7.305 7.120 1.00 0.00 H new ATOM 0 HA ASN A 18 2.354 -7.248 8.470 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.707 -9.549 7.342 1.00 0.00 H new ATOM 0 HB3 ASN A 18 2.070 -9.758 8.423 1.00 0.00 H new ATOM 0 HD21 ASN A 18 0.250 -9.146 11.356 1.00 0.00 H new ATOM 0 HD22 ASN A 18 1.747 -9.681 10.585 1.00 0.00 H new ATOM 248 N LYS A 19 4.177 -8.182 7.008 1.00 0.00 N ATOM 249 CA LYS A 19 5.278 -8.464 6.095 1.00 0.00 C ATOM 250 C LYS A 19 4.846 -9.440 5.006 1.00 0.00 C ATOM 251 O LYS A 19 5.161 -9.252 3.829 1.00 0.00 O ATOM 252 CB LYS A 19 6.472 -9.037 6.863 1.00 0.00 C ATOM 253 CG LYS A 19 7.808 -8.780 6.190 1.00 0.00 C ATOM 254 CD LYS A 19 8.289 -7.359 6.427 1.00 0.00 C ATOM 255 CE LYS A 19 9.740 -7.183 6.004 1.00 0.00 C ATOM 256 NZ LYS A 19 10.368 -6.000 6.657 1.00 0.00 N ATOM 0 H LYS A 19 4.453 -8.093 7.986 1.00 0.00 H new ATOM 0 HA LYS A 19 5.573 -7.527 5.623 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.490 -8.606 7.864 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.335 -10.112 6.981 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.549 -9.484 6.570 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.717 -8.960 5.119 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.660 -6.664 5.871 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.184 -7.110 7.483 1.00 0.00 H new ATOM 0 HE2 LYS A 19 10.304 -8.080 6.258 1.00 0.00 H new ATOM 0 HE3 LYS A 19 9.792 -7.070 4.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 11.356 -5.914 6.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.845 -5.140 6.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 10.342 -6.119 7.690 1.00 0.00 H new ATOM 270 N HIS A 20 4.122 -10.481 5.404 1.00 0.00 N ATOM 271 CA HIS A 20 3.644 -11.485 4.460 1.00 0.00 C ATOM 272 C HIS A 20 3.016 -10.826 3.236 1.00 0.00 C ATOM 273 O HIS A 20 3.357 -11.152 2.099 1.00 0.00 O ATOM 274 CB HIS A 20 2.628 -12.408 5.135 1.00 0.00 C ATOM 275 CG HIS A 20 2.077 -13.460 4.224 1.00 0.00 C ATOM 276 ND1 HIS A 20 2.832 -14.508 3.741 1.00 0.00 N ATOM 277 CD2 HIS A 20 0.835 -13.625 3.709 1.00 0.00 C ATOM 278 CE1 HIS A 20 2.080 -15.270 2.966 1.00 0.00 C ATOM 279 NE2 HIS A 20 0.863 -14.755 2.931 1.00 0.00 N ATOM 0 H HIS A 20 3.854 -10.651 6.373 1.00 0.00 H new ATOM 0 HA HIS A 20 4.499 -12.076 4.133 1.00 0.00 H new ATOM 0 HB2 HIS A 20 3.100 -12.891 5.990 1.00 0.00 H new ATOM 0 HB3 HIS A 20 1.805 -11.807 5.522 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.019 -12.986 3.879 1.00 0.00 H new ATOM 0 HE1 HIS A 20 2.404 -16.161 2.449 1.00 0.00 H new ATOM 0 HE2 HIS A 20 0.073 -15.136 2.410 1.00 0.00 H new ATOM 288 N TYR A 21 2.096 -9.898 3.477 1.00 0.00 N ATOM 289 CA TYR A 21 1.419 -9.195 2.394 1.00 0.00 C ATOM 290 C TYR A 21 2.354 -8.191 1.727 1.00 0.00 C ATOM 291 O TYR A 21 2.499 -8.178 0.504 1.00 0.00 O ATOM 292 CB TYR A 21 0.175 -8.478 2.924 1.00 0.00 C ATOM 293 CG TYR A 21 -1.032 -9.377 3.059 1.00 0.00 C ATOM 294 CD1 TYR A 21 -1.535 -10.066 1.962 1.00 0.00 C ATOM 295 CD2 TYR A 21 -1.670 -9.539 4.282 1.00 0.00 C ATOM 296 CE1 TYR A 21 -2.639 -10.889 2.079 1.00 0.00 C ATOM 297 CE2 TYR A 21 -2.773 -10.361 4.410 1.00 0.00 C ATOM 298 CZ TYR A 21 -3.253 -11.033 3.306 1.00 0.00 C ATOM 299 OH TYR A 21 -4.353 -11.852 3.428 1.00 0.00 O ATOM 0 H TYR A 21 1.802 -9.616 4.412 1.00 0.00 H new ATOM 0 HA TYR A 21 1.117 -9.931 1.649 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.404 -8.043 3.897 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -0.070 -7.653 2.256 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.055 -9.956 1.001 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -1.297 -9.013 5.148 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -3.018 -11.416 1.216 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -3.256 -10.476 5.369 1.00 0.00 H new ATOM 0 HH TYR A 21 -4.521 -12.035 4.376 1.00 0.00 H new ATOM 309 N PHE A 22 2.986 -7.351 2.539 1.00 0.00 N ATOM 310 CA PHE A 22 3.907 -6.342 2.029 1.00 0.00 C ATOM 311 C PHE A 22 4.762 -6.908 0.899 1.00 0.00 C ATOM 312 O PHE A 22 4.904 -6.290 -0.156 1.00 0.00 O ATOM 313 CB PHE A 22 4.806 -5.826 3.154 1.00 0.00 C ATOM 314 CG PHE A 22 5.880 -4.890 2.681 1.00 0.00 C ATOM 315 CD1 PHE A 22 5.555 -3.724 2.007 1.00 0.00 C ATOM 316 CD2 PHE A 22 7.217 -5.174 2.911 1.00 0.00 C ATOM 317 CE1 PHE A 22 6.541 -2.859 1.570 1.00 0.00 C ATOM 318 CE2 PHE A 22 8.207 -4.314 2.478 1.00 0.00 C ATOM 319 CZ PHE A 22 7.870 -3.155 1.806 1.00 0.00 C ATOM 0 H PHE A 22 2.877 -7.349 3.553 1.00 0.00 H new ATOM 0 HA PHE A 22 3.318 -5.514 1.636 1.00 0.00 H new ATOM 0 HB2 PHE A 22 4.191 -5.315 3.895 1.00 0.00 H new ATOM 0 HB3 PHE A 22 5.270 -6.675 3.656 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.518 -3.488 1.821 1.00 0.00 H new ATOM 0 HD2 PHE A 22 7.488 -6.079 3.435 1.00 0.00 H new ATOM 0 HE1 PHE A 22 6.273 -1.954 1.045 1.00 0.00 H new ATOM 0 HE2 PHE A 22 9.245 -4.548 2.665 1.00 0.00 H new ATOM 0 HZ PHE A 22 8.643 -2.482 1.466 1.00 0.00 H new ATOM 329 N SER A 23 5.330 -8.088 1.129 1.00 0.00 N ATOM 330 CA SER A 23 6.175 -8.736 0.133 1.00 0.00 C ATOM 331 C SER A 23 5.507 -8.721 -1.239 1.00 0.00 C ATOM 332 O SER A 23 6.154 -8.463 -2.254 1.00 0.00 O ATOM 333 CB SER A 23 6.478 -10.177 0.550 1.00 0.00 C ATOM 334 OG SER A 23 7.441 -10.764 -0.308 1.00 0.00 O ATOM 0 H SER A 23 5.220 -8.614 1.996 1.00 0.00 H new ATOM 0 HA SER A 23 7.110 -8.180 0.068 1.00 0.00 H new ATOM 0 HB2 SER A 23 6.843 -10.193 1.577 1.00 0.00 H new ATOM 0 HB3 SER A 23 5.561 -10.766 0.529 1.00 0.00 H new ATOM 0 HG SER A 23 7.619 -11.684 -0.020 1.00 0.00 H new ATOM 340 N LEU A 24 4.208 -9.001 -1.260 1.00 0.00 N ATOM 341 CA LEU A 24 3.451 -9.020 -2.507 1.00 0.00 C ATOM 342 C LEU A 24 3.429 -7.639 -3.152 1.00 0.00 C ATOM 343 O LEU A 24 3.837 -7.473 -4.302 1.00 0.00 O ATOM 344 CB LEU A 24 2.020 -9.498 -2.249 1.00 0.00 C ATOM 345 CG LEU A 24 1.848 -10.995 -1.997 1.00 0.00 C ATOM 346 CD1 LEU A 24 2.066 -11.317 -0.525 1.00 0.00 C ATOM 347 CD2 LEU A 24 0.470 -11.458 -2.447 1.00 0.00 C ATOM 0 H LEU A 24 3.658 -9.218 -0.429 1.00 0.00 H new ATOM 0 HA LEU A 24 3.942 -9.712 -3.191 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.628 -8.958 -1.388 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.406 -9.221 -3.106 1.00 0.00 H new ATOM 0 HG LEU A 24 2.597 -11.530 -2.581 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.939 -12.388 -0.364 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.074 -11.023 -0.234 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.340 -10.771 0.078 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.366 -12.527 -2.260 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.295 -10.916 -1.891 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.351 -11.263 -3.513 1.00 0.00 H new ATOM 359 N PHE A 25 2.953 -6.648 -2.404 1.00 0.00 N ATOM 360 CA PHE A 25 2.880 -5.281 -2.904 1.00 0.00 C ATOM 361 C PHE A 25 4.118 -4.934 -3.725 1.00 0.00 C ATOM 362 O PHE A 25 4.014 -4.415 -4.837 1.00 0.00 O ATOM 363 CB PHE A 25 2.735 -4.298 -1.740 1.00 0.00 C ATOM 364 CG PHE A 25 2.209 -2.952 -2.152 1.00 0.00 C ATOM 365 CD1 PHE A 25 1.015 -2.844 -2.846 1.00 0.00 C ATOM 366 CD2 PHE A 25 2.910 -1.797 -1.846 1.00 0.00 C ATOM 367 CE1 PHE A 25 0.529 -1.608 -3.228 1.00 0.00 C ATOM 368 CE2 PHE A 25 2.428 -0.558 -2.224 1.00 0.00 C ATOM 369 CZ PHE A 25 1.237 -0.463 -2.917 1.00 0.00 C ATOM 0 H PHE A 25 2.612 -6.767 -1.450 1.00 0.00 H new ATOM 0 HA PHE A 25 2.005 -5.203 -3.549 1.00 0.00 H new ATOM 0 HB2 PHE A 25 2.066 -4.727 -0.994 1.00 0.00 H new ATOM 0 HB3 PHE A 25 3.706 -4.169 -1.261 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.458 -3.736 -3.091 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.843 -1.865 -1.306 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.403 -1.537 -3.769 1.00 0.00 H new ATOM 0 HE2 PHE A 25 2.982 0.335 -1.978 1.00 0.00 H new ATOM 0 HZ PHE A 25 0.860 0.504 -3.215 1.00 0.00 H new ATOM 379 N LYS A 26 5.290 -5.225 -3.170 1.00 0.00 N ATOM 380 CA LYS A 26 6.549 -4.947 -3.850 1.00 0.00 C ATOM 381 C LYS A 26 6.579 -5.597 -5.229 1.00 0.00 C ATOM 382 O LYS A 26 6.990 -4.977 -6.210 1.00 0.00 O ATOM 383 CB LYS A 26 7.727 -5.449 -3.012 1.00 0.00 C ATOM 384 CG LYS A 26 8.254 -4.421 -2.025 1.00 0.00 C ATOM 385 CD LYS A 26 9.387 -4.984 -1.185 1.00 0.00 C ATOM 386 CE LYS A 26 8.888 -6.042 -0.213 1.00 0.00 C ATOM 387 NZ LYS A 26 9.989 -6.582 0.632 1.00 0.00 N ATOM 0 H LYS A 26 5.394 -5.654 -2.250 1.00 0.00 H new ATOM 0 HA LYS A 26 6.634 -3.868 -3.975 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.419 -6.340 -2.465 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.536 -5.747 -3.679 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.603 -3.542 -2.566 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.445 -4.093 -1.373 1.00 0.00 H new ATOM 0 HD2 LYS A 26 10.145 -5.417 -1.838 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.867 -4.177 -0.631 1.00 0.00 H new ATOM 0 HE2 LYS A 26 8.117 -5.613 0.426 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.424 -6.857 -0.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.605 -6.889 1.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 10.429 -7.393 0.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 10.703 -5.842 0.786 1.00 0.00 H new ATOM 401 N SER A 27 6.139 -6.850 -5.297 1.00 0.00 N ATOM 402 CA SER A 27 6.119 -7.586 -6.556 1.00 0.00 C ATOM 403 C SER A 27 5.144 -6.947 -7.541 1.00 0.00 C ATOM 404 O SER A 27 5.357 -6.983 -8.754 1.00 0.00 O ATOM 405 CB SER A 27 5.732 -9.045 -6.312 1.00 0.00 C ATOM 406 OG SER A 27 6.878 -9.841 -6.059 1.00 0.00 O ATOM 0 H SER A 27 5.792 -7.376 -4.495 1.00 0.00 H new ATOM 0 HA SER A 27 7.120 -7.551 -6.986 1.00 0.00 H new ATOM 0 HB2 SER A 27 5.048 -9.107 -5.465 1.00 0.00 H new ATOM 0 HB3 SER A 27 5.200 -9.434 -7.180 1.00 0.00 H new ATOM 0 HG SER A 27 7.656 -9.261 -5.922 1.00 0.00 H new ATOM 412 N LEU A 28 4.074 -6.365 -7.011 1.00 0.00 N ATOM 413 CA LEU A 28 3.064 -5.719 -7.843 1.00 0.00 C ATOM 414 C LEU A 28 3.526 -4.334 -8.282 1.00 0.00 C ATOM 415 O LEU A 28 3.101 -3.824 -9.319 1.00 0.00 O ATOM 416 CB LEU A 28 1.742 -5.610 -7.083 1.00 0.00 C ATOM 417 CG LEU A 28 1.200 -6.912 -6.489 1.00 0.00 C ATOM 418 CD1 LEU A 28 0.202 -6.618 -5.380 1.00 0.00 C ATOM 419 CD2 LEU A 28 0.560 -7.767 -7.574 1.00 0.00 C ATOM 0 H LEU A 28 3.883 -6.327 -6.010 1.00 0.00 H new ATOM 0 HA LEU A 28 2.915 -6.332 -8.732 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.869 -4.890 -6.274 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.990 -5.201 -7.758 1.00 0.00 H new ATOM 0 HG LEU A 28 2.033 -7.469 -6.060 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.173 -7.556 -4.970 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.692 -6.047 -4.591 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.630 -6.040 -5.783 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.180 -8.689 -7.134 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.262 -7.218 -8.032 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.304 -8.007 -8.334 1.00 0.00 H new ATOM 431 N LEU A 29 4.402 -3.729 -7.487 1.00 0.00 N ATOM 432 CA LEU A 29 4.925 -2.402 -7.795 1.00 0.00 C ATOM 433 C LEU A 29 6.295 -2.496 -8.459 1.00 0.00 C ATOM 434 O LEU A 29 6.767 -1.539 -9.071 1.00 0.00 O ATOM 435 CB LEU A 29 5.022 -1.562 -6.519 1.00 0.00 C ATOM 436 CG LEU A 29 3.785 -0.734 -6.167 1.00 0.00 C ATOM 437 CD1 LEU A 29 3.470 0.254 -7.278 1.00 0.00 C ATOM 438 CD2 LEU A 29 2.593 -1.642 -5.902 1.00 0.00 C ATOM 0 H LEU A 29 4.765 -4.136 -6.625 1.00 0.00 H new ATOM 0 HA LEU A 29 4.237 -1.920 -8.490 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.238 -2.229 -5.684 1.00 0.00 H new ATOM 0 HB3 LEU A 29 5.872 -0.886 -6.616 1.00 0.00 H new ATOM 0 HG LEU A 29 3.995 -0.170 -5.258 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.587 0.834 -7.010 1.00 0.00 H new ATOM 0 HD12 LEU A 29 4.317 0.926 -7.418 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.280 -0.288 -8.204 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.722 -1.036 -5.653 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.381 -2.233 -6.793 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.821 -2.308 -5.070 1.00 0.00 H new ATOM 450 N ALA A 30 6.928 -3.659 -8.335 1.00 0.00 N ATOM 451 CA ALA A 30 8.241 -3.881 -8.927 1.00 0.00 C ATOM 452 C ALA A 30 8.349 -3.209 -10.292 1.00 0.00 C ATOM 453 O ALA A 30 9.300 -2.475 -10.561 1.00 0.00 O ATOM 454 CB ALA A 30 8.521 -5.371 -9.047 1.00 0.00 C ATOM 0 H ALA A 30 6.552 -4.461 -7.830 1.00 0.00 H new ATOM 0 HA ALA A 30 8.988 -3.434 -8.271 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.505 -5.522 -9.491 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.496 -5.827 -8.057 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.763 -5.834 -9.679 1.00 0.00 H new ATOM 460 N ARG A 31 7.368 -3.465 -11.151 1.00 0.00 N ATOM 461 CA ARG A 31 7.353 -2.887 -12.489 1.00 0.00 C ATOM 462 C ARG A 31 7.399 -1.362 -12.423 1.00 0.00 C ATOM 463 O ARG A 31 8.328 -0.737 -12.933 1.00 0.00 O ATOM 464 CB ARG A 31 6.104 -3.338 -13.250 1.00 0.00 C ATOM 465 CG ARG A 31 4.929 -3.672 -12.346 1.00 0.00 C ATOM 466 CD ARG A 31 4.922 -5.143 -11.963 1.00 0.00 C ATOM 467 NE ARG A 31 4.183 -5.957 -12.925 1.00 0.00 N ATOM 468 CZ ARG A 31 2.869 -5.879 -13.095 1.00 0.00 C ATOM 469 NH1 ARG A 31 2.152 -5.029 -12.372 1.00 0.00 N ATOM 470 NH2 ARG A 31 2.268 -6.653 -13.991 1.00 0.00 N ATOM 0 H ARG A 31 6.573 -4.069 -10.944 1.00 0.00 H new ATOM 0 HA ARG A 31 8.239 -3.238 -13.019 1.00 0.00 H new ATOM 0 HB2 ARG A 31 5.807 -2.551 -13.943 1.00 0.00 H new ATOM 0 HB3 ARG A 31 6.351 -4.214 -13.850 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.976 -3.060 -11.445 1.00 0.00 H new ATOM 0 HG3 ARG A 31 3.997 -3.422 -12.852 1.00 0.00 H new ATOM 0 HD2 ARG A 31 5.948 -5.505 -11.895 1.00 0.00 H new ATOM 0 HD3 ARG A 31 4.478 -5.258 -10.974 1.00 0.00 H new ATOM 0 HE ARG A 31 4.705 -6.621 -13.497 1.00 0.00 H new ATOM 0 HH11 ARG A 31 2.610 -4.433 -11.683 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.142 -4.972 -12.505 1.00 0.00 H new ATOM 0 HH21 ARG A 31 2.816 -7.308 -14.549 1.00 0.00 H new ATOM 0 HH22 ARG A 31 1.258 -6.593 -14.121 1.00 0.00 H new ATOM 484 N ASP A 32 6.389 -0.772 -11.793 1.00 0.00 N ATOM 485 CA ASP A 32 6.314 0.677 -11.659 1.00 0.00 C ATOM 486 C ASP A 32 7.558 1.225 -10.966 1.00 0.00 C ATOM 487 O ASP A 32 8.320 1.995 -11.552 1.00 0.00 O ATOM 488 CB ASP A 32 5.063 1.075 -10.875 1.00 0.00 C ATOM 489 CG ASP A 32 3.830 1.153 -11.755 1.00 0.00 C ATOM 490 OD1 ASP A 32 3.429 0.108 -12.308 1.00 0.00 O ATOM 491 OD2 ASP A 32 3.265 2.260 -11.889 1.00 0.00 O ATOM 0 H ASP A 32 5.611 -1.276 -11.367 1.00 0.00 H new ATOM 0 HA ASP A 32 6.258 1.106 -12.660 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.892 0.352 -10.078 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.228 2.042 -10.399 1.00 0.00 H new ATOM 496 N LEU A 33 7.757 0.823 -9.715 1.00 0.00 N ATOM 497 CA LEU A 33 8.908 1.274 -8.941 1.00 0.00 C ATOM 498 C LEU A 33 10.213 0.840 -9.602 1.00 0.00 C ATOM 499 O LEU A 33 11.271 1.413 -9.345 1.00 0.00 O ATOM 500 CB LEU A 33 8.838 0.723 -7.517 1.00 0.00 C ATOM 501 CG LEU A 33 7.712 1.271 -6.640 1.00 0.00 C ATOM 502 CD1 LEU A 33 7.830 0.736 -5.222 1.00 0.00 C ATOM 503 CD2 LEU A 33 7.730 2.794 -6.640 1.00 0.00 C ATOM 0 H LEU A 33 7.136 0.186 -9.216 1.00 0.00 H new ATOM 0 HA LEU A 33 8.885 2.363 -8.904 1.00 0.00 H new ATOM 0 HB2 LEU A 33 8.733 -0.361 -7.573 1.00 0.00 H new ATOM 0 HB3 LEU A 33 9.788 0.926 -7.023 1.00 0.00 H new ATOM 0 HG LEU A 33 6.760 0.937 -7.054 1.00 0.00 H new ATOM 0 HD11 LEU A 33 7.020 1.137 -4.613 1.00 0.00 H new ATOM 0 HD12 LEU A 33 7.768 -0.352 -5.237 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.787 1.039 -4.797 1.00 0.00 H new ATOM 0 HD21 LEU A 33 6.922 3.167 -6.011 1.00 0.00 H new ATOM 0 HD22 LEU A 33 8.685 3.147 -6.251 1.00 0.00 H new ATOM 0 HD23 LEU A 33 7.596 3.159 -7.658 1.00 0.00 H new ATOM 515 N ASN A 34 10.129 -0.175 -10.457 1.00 0.00 N ATOM 516 CA ASN A 34 11.302 -0.685 -11.156 1.00 0.00 C ATOM 517 C ASN A 34 12.213 -1.452 -10.203 1.00 0.00 C ATOM 518 O ASN A 34 13.438 -1.369 -10.295 1.00 0.00 O ATOM 519 CB ASN A 34 12.076 0.466 -11.803 1.00 0.00 C ATOM 520 CG ASN A 34 11.159 1.531 -12.373 1.00 0.00 C ATOM 521 OD1 ASN A 34 10.519 1.328 -13.405 1.00 0.00 O ATOM 522 ND2 ASN A 34 11.091 2.674 -11.701 1.00 0.00 N ATOM 0 H ASN A 34 9.260 -0.660 -10.682 1.00 0.00 H new ATOM 0 HA ASN A 34 10.962 -1.369 -11.934 1.00 0.00 H new ATOM 0 HB2 ASN A 34 12.737 0.917 -11.063 1.00 0.00 H new ATOM 0 HB3 ASN A 34 12.710 0.073 -12.598 1.00 0.00 H new ATOM 0 HD21 ASN A 34 10.490 3.427 -12.036 1.00 0.00 H new ATOM 0 HD22 ASN A 34 11.639 2.799 -10.850 1.00 0.00 H new ATOM 529 N LEU A 35 11.606 -2.200 -9.287 1.00 0.00 N ATOM 530 CA LEU A 35 12.363 -2.984 -8.316 1.00 0.00 C ATOM 531 C LEU A 35 12.973 -4.219 -8.971 1.00 0.00 C ATOM 532 O LEU A 35 12.590 -4.600 -10.076 1.00 0.00 O ATOM 533 CB LEU A 35 11.459 -3.402 -7.154 1.00 0.00 C ATOM 534 CG LEU A 35 10.546 -2.313 -6.589 1.00 0.00 C ATOM 535 CD1 LEU A 35 9.366 -2.932 -5.858 1.00 0.00 C ATOM 536 CD2 LEU A 35 11.326 -1.392 -5.662 1.00 0.00 C ATOM 0 H LEU A 35 10.593 -2.280 -9.196 1.00 0.00 H new ATOM 0 HA LEU A 35 13.172 -2.362 -7.933 1.00 0.00 H new ATOM 0 HB2 LEU A 35 10.837 -4.234 -7.485 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.088 -3.776 -6.346 1.00 0.00 H new ATOM 0 HG LEU A 35 10.162 -1.720 -7.419 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.728 -2.142 -5.463 1.00 0.00 H new ATOM 0 HD12 LEU A 35 8.793 -3.550 -6.550 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.730 -3.549 -5.037 1.00 0.00 H new ATOM 0 HD21 LEU A 35 10.661 -0.623 -5.269 1.00 0.00 H new ATOM 0 HD22 LEU A 35 11.739 -1.971 -4.836 1.00 0.00 H new ATOM 0 HD23 LEU A 35 12.138 -0.921 -6.216 1.00 0.00 H new ATOM 548 N GLU A 36 13.923 -4.841 -8.278 1.00 0.00 N ATOM 549 CA GLU A 36 14.584 -6.034 -8.793 1.00 0.00 C ATOM 550 C GLU A 36 13.847 -7.296 -8.354 1.00 0.00 C ATOM 551 O GLU A 36 14.027 -7.775 -7.234 1.00 0.00 O ATOM 552 CB GLU A 36 16.036 -6.085 -8.313 1.00 0.00 C ATOM 553 CG GLU A 36 16.961 -5.148 -9.071 1.00 0.00 C ATOM 554 CD GLU A 36 17.047 -3.773 -8.436 1.00 0.00 C ATOM 555 OE1 GLU A 36 15.998 -3.103 -8.328 1.00 0.00 O ATOM 556 OE2 GLU A 36 18.161 -3.367 -8.046 1.00 0.00 O ATOM 0 H GLU A 36 14.251 -4.539 -7.361 1.00 0.00 H new ATOM 0 HA GLU A 36 14.570 -5.986 -9.882 1.00 0.00 H new ATOM 0 HB2 GLU A 36 16.068 -5.834 -7.253 1.00 0.00 H new ATOM 0 HB3 GLU A 36 16.407 -7.105 -8.411 1.00 0.00 H new ATOM 0 HG2 GLU A 36 17.958 -5.586 -9.117 1.00 0.00 H new ATOM 0 HG3 GLU A 36 16.609 -5.049 -10.098 1.00 0.00 H new ATOM 563 N ARG A 37 13.018 -7.830 -9.244 1.00 0.00 N ATOM 564 CA ARG A 37 12.252 -9.035 -8.950 1.00 0.00 C ATOM 565 C ARG A 37 13.093 -10.034 -8.162 1.00 0.00 C ATOM 566 O ARG A 37 12.561 -10.865 -7.425 1.00 0.00 O ATOM 567 CB ARG A 37 11.757 -9.679 -10.245 1.00 0.00 C ATOM 568 CG ARG A 37 12.867 -10.278 -11.092 1.00 0.00 C ATOM 569 CD ARG A 37 13.163 -11.714 -10.689 1.00 0.00 C ATOM 570 NE ARG A 37 13.990 -12.402 -11.677 1.00 0.00 N ATOM 571 CZ ARG A 37 14.053 -13.723 -11.792 1.00 0.00 C ATOM 572 NH1 ARG A 37 13.341 -14.496 -10.984 1.00 0.00 N ATOM 573 NH2 ARG A 37 14.829 -14.274 -12.717 1.00 0.00 N ATOM 0 H ARG A 37 12.859 -7.447 -10.176 1.00 0.00 H new ATOM 0 HA ARG A 37 11.393 -8.750 -8.343 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.037 -10.460 -10.000 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.227 -8.930 -10.833 1.00 0.00 H new ATOM 0 HG2 ARG A 37 12.581 -10.246 -12.143 1.00 0.00 H new ATOM 0 HG3 ARG A 37 13.770 -9.676 -10.988 1.00 0.00 H new ATOM 0 HD2 ARG A 37 13.669 -11.722 -9.724 1.00 0.00 H new ATOM 0 HD3 ARG A 37 12.225 -12.255 -10.562 1.00 0.00 H new ATOM 0 HE ARG A 37 14.550 -11.836 -12.314 1.00 0.00 H new ATOM 0 HH11 ARG A 37 12.743 -14.076 -10.272 1.00 0.00 H new ATOM 0 HH12 ARG A 37 13.391 -15.511 -11.074 1.00 0.00 H new ATOM 0 HH21 ARG A 37 15.378 -13.682 -13.341 1.00 0.00 H new ATOM 0 HH22 ARG A 37 14.876 -15.289 -12.804 1.00 0.00 H new ATOM 587 N ASP A 38 14.410 -9.948 -8.323 1.00 0.00 N ATOM 588 CA ASP A 38 15.325 -10.844 -7.626 1.00 0.00 C ATOM 589 C ASP A 38 15.809 -10.221 -6.320 1.00 0.00 C ATOM 590 O ASP A 38 15.984 -10.911 -5.318 1.00 0.00 O ATOM 591 CB ASP A 38 16.521 -11.181 -8.518 1.00 0.00 C ATOM 592 CG ASP A 38 17.163 -9.944 -9.117 1.00 0.00 C ATOM 593 OD1 ASP A 38 17.999 -9.320 -8.432 1.00 0.00 O ATOM 594 OD2 ASP A 38 16.827 -9.602 -10.271 1.00 0.00 O ATOM 0 H ASP A 38 14.867 -9.267 -8.930 1.00 0.00 H new ATOM 0 HA ASP A 38 14.786 -11.762 -7.391 1.00 0.00 H new ATOM 0 HB2 ASP A 38 17.263 -11.726 -7.935 1.00 0.00 H new ATOM 0 HB3 ASP A 38 16.197 -11.844 -9.321 1.00 0.00 H new ATOM 599 N ASN A 39 16.024 -8.909 -6.342 1.00 0.00 N ATOM 600 CA ASN A 39 16.489 -8.191 -5.160 1.00 0.00 C ATOM 601 C ASN A 39 15.375 -7.331 -4.573 1.00 0.00 C ATOM 602 O ASN A 39 15.583 -6.160 -4.256 1.00 0.00 O ATOM 603 CB ASN A 39 17.693 -7.316 -5.511 1.00 0.00 C ATOM 604 CG ASN A 39 18.641 -7.140 -4.340 1.00 0.00 C ATOM 605 OD1 ASN A 39 19.048 -6.023 -4.019 1.00 0.00 O ATOM 606 ND2 ASN A 39 18.997 -8.245 -3.696 1.00 0.00 N ATOM 0 H ASN A 39 15.884 -8.322 -7.164 1.00 0.00 H new ATOM 0 HA ASN A 39 16.788 -8.926 -4.413 1.00 0.00 H new ATOM 0 HB2 ASN A 39 18.232 -7.762 -6.347 1.00 0.00 H new ATOM 0 HB3 ASN A 39 17.344 -6.338 -5.842 1.00 0.00 H new ATOM 0 HD21 ASN A 39 19.633 -8.189 -2.900 1.00 0.00 H new ATOM 0 HD22 ASN A 39 18.635 -9.150 -3.997 1.00 0.00 H new ATOM 613 N GLN A 40 14.192 -7.920 -4.430 1.00 0.00 N ATOM 614 CA GLN A 40 13.044 -7.207 -3.880 1.00 0.00 C ATOM 615 C GLN A 40 13.027 -7.295 -2.358 1.00 0.00 C ATOM 616 O GLN A 40 12.398 -6.478 -1.687 1.00 0.00 O ATOM 617 CB GLN A 40 11.744 -7.774 -4.451 1.00 0.00 C ATOM 618 CG GLN A 40 11.282 -7.079 -5.722 1.00 0.00 C ATOM 619 CD GLN A 40 10.026 -7.697 -6.303 1.00 0.00 C ATOM 620 OE1 GLN A 40 9.301 -8.417 -5.616 1.00 0.00 O ATOM 621 NE2 GLN A 40 9.761 -7.416 -7.574 1.00 0.00 N ATOM 0 H GLN A 40 14.003 -8.889 -4.687 1.00 0.00 H new ATOM 0 HA GLN A 40 13.129 -6.158 -4.163 1.00 0.00 H new ATOM 0 HB2 GLN A 40 11.880 -8.836 -4.657 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.961 -7.693 -3.698 1.00 0.00 H new ATOM 0 HG2 GLN A 40 11.099 -6.026 -5.509 1.00 0.00 H new ATOM 0 HG3 GLN A 40 12.079 -7.120 -6.464 1.00 0.00 H new ATOM 0 HE21 GLN A 40 10.390 -6.814 -8.105 1.00 0.00 H new ATOM 0 HE22 GLN A 40 8.928 -7.802 -8.019 1.00 0.00 H new ATOM 630 N GLU A 41 13.721 -8.292 -1.821 1.00 0.00 N ATOM 631 CA GLU A 41 13.784 -8.488 -0.376 1.00 0.00 C ATOM 632 C GLU A 41 14.538 -7.343 0.295 1.00 0.00 C ATOM 633 O GLU A 41 14.050 -6.744 1.252 1.00 0.00 O ATOM 634 CB GLU A 41 14.460 -9.820 -0.048 1.00 0.00 C ATOM 635 CG GLU A 41 15.869 -9.941 -0.604 1.00 0.00 C ATOM 636 CD GLU A 41 16.921 -9.418 0.357 1.00 0.00 C ATOM 637 OE1 GLU A 41 16.690 -9.483 1.582 1.00 0.00 O ATOM 638 OE2 GLU A 41 17.974 -8.943 -0.118 1.00 0.00 O ATOM 0 H GLU A 41 14.248 -8.977 -2.363 1.00 0.00 H new ATOM 0 HA GLU A 41 12.764 -8.503 0.008 1.00 0.00 H new ATOM 0 HB2 GLU A 41 14.494 -9.944 1.034 1.00 0.00 H new ATOM 0 HB3 GLU A 41 13.852 -10.634 -0.443 1.00 0.00 H new ATOM 0 HG2 GLU A 41 16.077 -10.986 -0.832 1.00 0.00 H new ATOM 0 HG3 GLU A 41 15.934 -9.391 -1.543 1.00 0.00 H new ATOM 645 N GLN A 42 15.730 -7.047 -0.214 1.00 0.00 N ATOM 646 CA GLN A 42 16.551 -5.976 0.337 1.00 0.00 C ATOM 647 C GLN A 42 15.717 -4.725 0.586 1.00 0.00 C ATOM 648 O GLN A 42 16.020 -3.933 1.479 1.00 0.00 O ATOM 649 CB GLN A 42 17.708 -5.653 -0.611 1.00 0.00 C ATOM 650 CG GLN A 42 17.260 -5.049 -1.933 1.00 0.00 C ATOM 651 CD GLN A 42 18.292 -4.107 -2.521 1.00 0.00 C ATOM 652 OE1 GLN A 42 19.248 -3.716 -1.850 1.00 0.00 O ATOM 653 NE2 GLN A 42 18.104 -3.736 -3.782 1.00 0.00 N ATOM 0 H GLN A 42 16.148 -7.534 -1.007 1.00 0.00 H new ATOM 0 HA GLN A 42 16.956 -6.316 1.290 1.00 0.00 H new ATOM 0 HB2 GLN A 42 18.389 -4.960 -0.117 1.00 0.00 H new ATOM 0 HB3 GLN A 42 18.270 -6.566 -0.810 1.00 0.00 H new ATOM 0 HG2 GLN A 42 17.057 -5.850 -2.644 1.00 0.00 H new ATOM 0 HG3 GLN A 42 16.324 -4.510 -1.784 1.00 0.00 H new ATOM 0 HE21 GLN A 42 17.298 -4.084 -4.301 1.00 0.00 H new ATOM 0 HE22 GLN A 42 18.766 -3.103 -4.231 1.00 0.00 H new ATOM 662 N TYR A 43 14.667 -4.551 -0.209 1.00 0.00 N ATOM 663 CA TYR A 43 13.791 -3.393 -0.076 1.00 0.00 C ATOM 664 C TYR A 43 12.865 -3.545 1.127 1.00 0.00 C ATOM 665 O TYR A 43 12.393 -4.642 1.427 1.00 0.00 O ATOM 666 CB TYR A 43 12.965 -3.204 -1.349 1.00 0.00 C ATOM 667 CG TYR A 43 13.779 -2.747 -2.538 1.00 0.00 C ATOM 668 CD1 TYR A 43 14.672 -1.688 -2.427 1.00 0.00 C ATOM 669 CD2 TYR A 43 13.655 -3.372 -3.772 1.00 0.00 C ATOM 670 CE1 TYR A 43 15.418 -1.266 -3.511 1.00 0.00 C ATOM 671 CE2 TYR A 43 14.398 -2.958 -4.861 1.00 0.00 C ATOM 672 CZ TYR A 43 15.278 -1.905 -4.726 1.00 0.00 C ATOM 673 OH TYR A 43 16.019 -1.488 -5.808 1.00 0.00 O ATOM 0 H TYR A 43 14.402 -5.197 -0.952 1.00 0.00 H new ATOM 0 HA TYR A 43 14.415 -2.513 0.078 1.00 0.00 H new ATOM 0 HB2 TYR A 43 12.474 -4.145 -1.596 1.00 0.00 H new ATOM 0 HB3 TYR A 43 12.178 -2.475 -1.156 1.00 0.00 H new ATOM 0 HD1 TYR A 43 14.785 -1.186 -1.477 1.00 0.00 H new ATOM 0 HD2 TYR A 43 12.966 -4.196 -3.882 1.00 0.00 H new ATOM 0 HE1 TYR A 43 16.107 -0.441 -3.408 1.00 0.00 H new ATOM 0 HE2 TYR A 43 14.290 -3.457 -5.813 1.00 0.00 H new ATOM 0 HH TYR A 43 15.905 -2.122 -6.546 1.00 0.00 H new ATOM 683 N THR A 44 12.610 -2.436 1.813 1.00 0.00 N ATOM 684 CA THR A 44 11.742 -2.443 2.983 1.00 0.00 C ATOM 685 C THR A 44 10.580 -1.470 2.813 1.00 0.00 C ATOM 686 O THR A 44 10.579 -0.641 1.904 1.00 0.00 O ATOM 687 CB THR A 44 12.520 -2.078 4.262 1.00 0.00 C ATOM 688 OG1 THR A 44 13.058 -0.757 4.148 1.00 0.00 O ATOM 689 CG2 THR A 44 13.645 -3.071 4.512 1.00 0.00 C ATOM 0 H THR A 44 12.993 -1.520 1.578 1.00 0.00 H new ATOM 0 HA THR A 44 11.352 -3.456 3.080 1.00 0.00 H new ATOM 0 HB THR A 44 11.830 -2.116 5.105 1.00 0.00 H new ATOM 0 HG1 THR A 44 13.549 -0.532 4.966 1.00 0.00 H new ATOM 0 HG21 THR A 44 14.180 -2.793 5.420 1.00 0.00 H new ATOM 0 HG22 THR A 44 13.228 -4.071 4.628 1.00 0.00 H new ATOM 0 HG23 THR A 44 14.334 -3.061 3.667 1.00 0.00 H new ATOM 697 N THR A 45 9.593 -1.576 3.696 1.00 0.00 N ATOM 698 CA THR A 45 8.424 -0.706 3.644 1.00 0.00 C ATOM 699 C THR A 45 8.835 0.761 3.568 1.00 0.00 C ATOM 700 O THR A 45 8.093 1.596 3.051 1.00 0.00 O ATOM 701 CB THR A 45 7.515 -0.910 4.870 1.00 0.00 C ATOM 702 OG1 THR A 45 8.308 -0.996 6.059 1.00 0.00 O ATOM 703 CG2 THR A 45 6.680 -2.173 4.719 1.00 0.00 C ATOM 0 H THR A 45 9.579 -2.256 4.456 1.00 0.00 H new ATOM 0 HA THR A 45 7.871 -0.974 2.744 1.00 0.00 H new ATOM 0 HB THR A 45 6.843 -0.055 4.943 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.170 -1.869 6.482 1.00 0.00 H new ATOM 0 HG21 THR A 45 6.046 -2.297 5.597 1.00 0.00 H new ATOM 0 HG22 THR A 45 6.056 -2.092 3.829 1.00 0.00 H new ATOM 0 HG23 THR A 45 7.339 -3.036 4.623 1.00 0.00 H new ATOM 711 N ILE A 46 10.019 1.066 4.088 1.00 0.00 N ATOM 712 CA ILE A 46 10.528 2.432 4.077 1.00 0.00 C ATOM 713 C ILE A 46 11.075 2.804 2.704 1.00 0.00 C ATOM 714 O ILE A 46 10.494 3.626 1.996 1.00 0.00 O ATOM 715 CB ILE A 46 11.636 2.629 5.130 1.00 0.00 C ATOM 716 CG1 ILE A 46 11.042 2.592 6.539 1.00 0.00 C ATOM 717 CG2 ILE A 46 12.367 3.941 4.889 1.00 0.00 C ATOM 718 CD1 ILE A 46 9.982 3.646 6.776 1.00 0.00 C ATOM 0 H ILE A 46 10.643 0.386 4.522 1.00 0.00 H new ATOM 0 HA ILE A 46 9.688 3.083 4.319 1.00 0.00 H new ATOM 0 HB ILE A 46 12.355 1.814 5.039 1.00 0.00 H new ATOM 0 HG12 ILE A 46 10.610 1.607 6.717 1.00 0.00 H new ATOM 0 HG13 ILE A 46 11.843 2.724 7.266 1.00 0.00 H new ATOM 0 HG21 ILE A 46 13.147 4.066 5.640 1.00 0.00 H new ATOM 0 HG22 ILE A 46 12.818 3.929 3.897 1.00 0.00 H new ATOM 0 HG23 ILE A 46 11.661 4.769 4.957 1.00 0.00 H new ATOM 0 HD11 ILE A 46 9.605 3.561 7.795 1.00 0.00 H new ATOM 0 HD12 ILE A 46 10.414 4.636 6.631 1.00 0.00 H new ATOM 0 HD13 ILE A 46 9.162 3.502 6.073 1.00 0.00 H new ATOM 730 N GLN A 47 12.196 2.193 2.334 1.00 0.00 N ATOM 731 CA GLN A 47 12.821 2.460 1.043 1.00 0.00 C ATOM 732 C GLN A 47 11.777 2.505 -0.069 1.00 0.00 C ATOM 733 O GLN A 47 11.880 3.307 -0.997 1.00 0.00 O ATOM 734 CB GLN A 47 13.870 1.391 0.731 1.00 0.00 C ATOM 735 CG GLN A 47 15.052 1.401 1.687 1.00 0.00 C ATOM 736 CD GLN A 47 16.300 0.795 1.078 1.00 0.00 C ATOM 737 OE1 GLN A 47 17.090 1.488 0.434 1.00 0.00 O ATOM 738 NE2 GLN A 47 16.487 -0.504 1.279 1.00 0.00 N ATOM 0 H GLN A 47 12.690 1.510 2.909 1.00 0.00 H new ATOM 0 HA GLN A 47 13.309 3.433 1.098 1.00 0.00 H new ATOM 0 HB2 GLN A 47 13.397 0.410 0.762 1.00 0.00 H new ATOM 0 HB3 GLN A 47 14.234 1.537 -0.286 1.00 0.00 H new ATOM 0 HG2 GLN A 47 15.261 2.427 1.989 1.00 0.00 H new ATOM 0 HG3 GLN A 47 14.789 0.850 2.590 1.00 0.00 H new ATOM 0 HE21 GLN A 47 15.807 -1.040 1.819 1.00 0.00 H new ATOM 0 HE22 GLN A 47 17.311 -0.966 0.894 1.00 0.00 H new ATOM 747 N ILE A 48 10.774 1.639 0.033 1.00 0.00 N ATOM 748 CA ILE A 48 9.712 1.582 -0.964 1.00 0.00 C ATOM 749 C ILE A 48 8.768 2.771 -0.829 1.00 0.00 C ATOM 750 O ILE A 48 8.200 3.240 -1.815 1.00 0.00 O ATOM 751 CB ILE A 48 8.900 0.278 -0.846 1.00 0.00 C ATOM 752 CG1 ILE A 48 9.787 -0.930 -1.155 1.00 0.00 C ATOM 753 CG2 ILE A 48 7.701 0.315 -1.782 1.00 0.00 C ATOM 754 CD1 ILE A 48 10.090 -1.097 -2.626 1.00 0.00 C ATOM 0 H ILE A 48 10.675 0.968 0.795 1.00 0.00 H new ATOM 0 HA ILE A 48 10.193 1.613 -1.942 1.00 0.00 H new ATOM 0 HB ILE A 48 8.535 0.185 0.177 1.00 0.00 H new ATOM 0 HG12 ILE A 48 10.725 -0.831 -0.608 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.298 -1.833 -0.788 1.00 0.00 H new ATOM 0 HG21 ILE A 48 7.137 -0.613 -1.688 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.061 1.157 -1.520 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.045 0.427 -2.810 1.00 0.00 H new ATOM 0 HD11 ILE A 48 10.723 -1.973 -2.770 1.00 0.00 H new ATOM 0 HD12 ILE A 48 9.159 -1.228 -3.177 1.00 0.00 H new ATOM 0 HD13 ILE A 48 10.607 -0.211 -2.994 1.00 0.00 H new ATOM 766 N ALA A 49 8.603 3.253 0.399 1.00 0.00 N ATOM 767 CA ALA A 49 7.731 4.390 0.662 1.00 0.00 C ATOM 768 C ALA A 49 8.210 5.634 -0.078 1.00 0.00 C ATOM 769 O ALA A 49 7.510 6.164 -0.940 1.00 0.00 O ATOM 770 CB ALA A 49 7.653 4.660 2.157 1.00 0.00 C ATOM 0 H ALA A 49 9.062 2.873 1.227 1.00 0.00 H new ATOM 0 HA ALA A 49 6.734 4.144 0.295 1.00 0.00 H new ATOM 0 HB1 ALA A 49 6.998 5.512 2.339 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.255 3.782 2.665 1.00 0.00 H new ATOM 0 HB3 ALA A 49 8.650 4.880 2.539 1.00 0.00 H new ATOM 776 N ASN A 50 9.408 6.096 0.266 1.00 0.00 N ATOM 777 CA ASN A 50 9.981 7.280 -0.365 1.00 0.00 C ATOM 778 C ASN A 50 9.828 7.216 -1.881 1.00 0.00 C ATOM 779 O ASN A 50 9.275 8.125 -2.499 1.00 0.00 O ATOM 780 CB ASN A 50 11.460 7.415 0.005 1.00 0.00 C ATOM 781 CG ASN A 50 11.659 7.796 1.459 1.00 0.00 C ATOM 782 OD1 ASN A 50 11.416 8.937 1.853 1.00 0.00 O ATOM 783 ND2 ASN A 50 12.105 6.839 2.265 1.00 0.00 N ATOM 0 H ASN A 50 10.001 5.669 0.978 1.00 0.00 H new ATOM 0 HA ASN A 50 9.441 8.154 0.000 1.00 0.00 H new ATOM 0 HB2 ASN A 50 11.969 6.472 -0.194 1.00 0.00 H new ATOM 0 HB3 ASN A 50 11.924 8.168 -0.632 1.00 0.00 H new ATOM 0 HD21 ASN A 50 12.259 7.036 3.254 1.00 0.00 H new ATOM 0 HD22 ASN A 50 12.293 5.907 1.895 1.00 0.00 H new ATOM 790 N MET A 51 10.322 6.134 -2.475 1.00 0.00 N ATOM 791 CA MET A 51 10.240 5.950 -3.919 1.00 0.00 C ATOM 792 C MET A 51 8.848 6.305 -4.433 1.00 0.00 C ATOM 793 O MET A 51 8.706 7.068 -5.390 1.00 0.00 O ATOM 794 CB MET A 51 10.579 4.505 -4.291 1.00 0.00 C ATOM 795 CG MET A 51 12.072 4.234 -4.372 1.00 0.00 C ATOM 796 SD MET A 51 12.477 2.919 -5.537 1.00 0.00 S ATOM 797 CE MET A 51 12.702 1.535 -4.422 1.00 0.00 C ATOM 0 H MET A 51 10.783 5.372 -1.978 1.00 0.00 H new ATOM 0 HA MET A 51 10.964 6.618 -4.387 1.00 0.00 H new ATOM 0 HB2 MET A 51 10.136 3.835 -3.554 1.00 0.00 H new ATOM 0 HB3 MET A 51 10.122 4.269 -5.252 1.00 0.00 H new ATOM 0 HG2 MET A 51 12.588 5.148 -4.668 1.00 0.00 H new ATOM 0 HG3 MET A 51 12.443 3.965 -3.383 1.00 0.00 H new ATOM 0 HE1 MET A 51 13.193 0.718 -4.951 1.00 0.00 H new ATOM 0 HE2 MET A 51 13.319 1.844 -3.578 1.00 0.00 H new ATOM 0 HE3 MET A 51 11.731 1.200 -4.058 1.00 0.00 H new ATOM 807 N MET A 52 7.825 5.749 -3.793 1.00 0.00 N ATOM 808 CA MET A 52 6.445 6.009 -4.186 1.00 0.00 C ATOM 809 C MET A 52 6.100 7.485 -4.015 1.00 0.00 C ATOM 810 O MET A 52 5.610 8.128 -4.942 1.00 0.00 O ATOM 811 CB MET A 52 5.486 5.151 -3.359 1.00 0.00 C ATOM 812 CG MET A 52 5.455 3.692 -3.786 1.00 0.00 C ATOM 813 SD MET A 52 4.080 2.784 -3.053 1.00 0.00 S ATOM 814 CE MET A 52 2.915 2.776 -4.412 1.00 0.00 C ATOM 0 H MET A 52 7.925 5.115 -3.000 1.00 0.00 H new ATOM 0 HA MET A 52 6.339 5.748 -5.239 1.00 0.00 H new ATOM 0 HB2 MET A 52 5.774 5.208 -2.309 1.00 0.00 H new ATOM 0 HB3 MET A 52 4.481 5.566 -3.437 1.00 0.00 H new ATOM 0 HG2 MET A 52 5.384 3.637 -4.872 1.00 0.00 H new ATOM 0 HG3 MET A 52 6.393 3.214 -3.503 1.00 0.00 H new ATOM 0 HE1 MET A 52 2.108 2.076 -4.195 1.00 0.00 H new ATOM 0 HE2 MET A 52 2.503 3.776 -4.544 1.00 0.00 H new ATOM 0 HE3 MET A 52 3.424 2.470 -5.326 1.00 0.00 H new ATOM 824 N GLU A 53 6.360 8.016 -2.824 1.00 0.00 N ATOM 825 CA GLU A 53 6.075 9.416 -2.533 1.00 0.00 C ATOM 826 C GLU A 53 6.459 10.305 -3.712 1.00 0.00 C ATOM 827 O GLU A 53 5.818 11.324 -3.969 1.00 0.00 O ATOM 828 CB GLU A 53 6.828 9.862 -1.278 1.00 0.00 C ATOM 829 CG GLU A 53 6.154 9.439 0.018 1.00 0.00 C ATOM 830 CD GLU A 53 6.703 10.171 1.227 1.00 0.00 C ATOM 831 OE1 GLU A 53 6.947 11.391 1.121 1.00 0.00 O ATOM 832 OE2 GLU A 53 6.887 9.524 2.278 1.00 0.00 O ATOM 0 H GLU A 53 6.767 7.498 -2.046 1.00 0.00 H new ATOM 0 HA GLU A 53 5.003 9.514 -2.359 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.837 9.451 -1.304 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.926 10.948 -1.290 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.082 9.623 -0.057 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.284 8.366 0.158 1.00 0.00 H new ATOM 839 N GLU A 54 7.510 9.912 -4.425 1.00 0.00 N ATOM 840 CA GLU A 54 7.981 10.674 -5.576 1.00 0.00 C ATOM 841 C GLU A 54 7.353 10.154 -6.866 1.00 0.00 C ATOM 842 O GLU A 54 7.122 10.912 -7.807 1.00 0.00 O ATOM 843 CB GLU A 54 9.506 10.604 -5.672 1.00 0.00 C ATOM 844 CG GLU A 54 10.218 11.077 -4.416 1.00 0.00 C ATOM 845 CD GLU A 54 11.723 11.146 -4.589 1.00 0.00 C ATOM 846 OE1 GLU A 54 12.277 10.294 -5.314 1.00 0.00 O ATOM 847 OE2 GLU A 54 12.345 12.054 -3.998 1.00 0.00 O ATOM 0 H GLU A 54 8.051 9.071 -4.226 1.00 0.00 H new ATOM 0 HA GLU A 54 7.681 11.713 -5.440 1.00 0.00 H new ATOM 0 HB2 GLU A 54 9.801 9.576 -5.881 1.00 0.00 H new ATOM 0 HB3 GLU A 54 9.836 11.209 -6.516 1.00 0.00 H new ATOM 0 HG2 GLU A 54 9.842 12.062 -4.139 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.981 10.403 -3.593 1.00 0.00 H new ATOM 854 N LYS A 55 7.082 8.854 -6.902 1.00 0.00 N ATOM 855 CA LYS A 55 6.481 8.230 -8.075 1.00 0.00 C ATOM 856 C LYS A 55 5.083 8.783 -8.331 1.00 0.00 C ATOM 857 O LYS A 55 4.794 9.291 -9.415 1.00 0.00 O ATOM 858 CB LYS A 55 6.414 6.711 -7.893 1.00 0.00 C ATOM 859 CG LYS A 55 5.874 5.976 -9.107 1.00 0.00 C ATOM 860 CD LYS A 55 6.949 5.782 -10.165 1.00 0.00 C ATOM 861 CE LYS A 55 6.361 5.260 -11.466 1.00 0.00 C ATOM 862 NZ LYS A 55 5.561 6.300 -12.171 1.00 0.00 N ATOM 0 H LYS A 55 7.269 8.212 -6.132 1.00 0.00 H new ATOM 0 HA LYS A 55 7.107 8.460 -8.937 1.00 0.00 H new ATOM 0 HB2 LYS A 55 7.412 6.336 -7.666 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.785 6.484 -7.032 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.483 5.005 -8.802 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.041 6.536 -9.532 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.456 6.729 -10.348 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.701 5.083 -9.798 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.166 4.918 -12.117 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.730 4.396 -11.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.349 5.979 -13.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.672 6.462 -11.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.103 7.187 -12.212 1.00 0.00 H new ATOM 876 N PHE A 56 4.220 8.685 -7.325 1.00 0.00 N ATOM 877 CA PHE A 56 2.852 9.176 -7.442 1.00 0.00 C ATOM 878 C PHE A 56 2.598 10.314 -6.457 1.00 0.00 C ATOM 879 O PHE A 56 2.073 10.115 -5.361 1.00 0.00 O ATOM 880 CB PHE A 56 1.857 8.041 -7.195 1.00 0.00 C ATOM 881 CG PHE A 56 2.380 6.689 -7.587 1.00 0.00 C ATOM 882 CD1 PHE A 56 2.226 6.221 -8.882 1.00 0.00 C ATOM 883 CD2 PHE A 56 3.026 5.886 -6.661 1.00 0.00 C ATOM 884 CE1 PHE A 56 2.707 4.977 -9.245 1.00 0.00 C ATOM 885 CE2 PHE A 56 3.510 4.642 -7.017 1.00 0.00 C ATOM 886 CZ PHE A 56 3.350 4.186 -8.311 1.00 0.00 C ATOM 0 H PHE A 56 4.444 8.270 -6.420 1.00 0.00 H new ATOM 0 HA PHE A 56 2.714 9.556 -8.454 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.590 8.026 -6.138 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.942 8.243 -7.752 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.725 6.835 -9.616 1.00 0.00 H new ATOM 0 HD2 PHE A 56 3.153 6.237 -5.648 1.00 0.00 H new ATOM 0 HE1 PHE A 56 2.581 4.623 -10.258 1.00 0.00 H new ATOM 0 HE2 PHE A 56 4.013 4.027 -6.285 1.00 0.00 H new ATOM 0 HZ PHE A 56 3.726 3.214 -8.593 1.00 0.00 H new ATOM 896 N PRO A 57 2.979 11.537 -6.855 1.00 0.00 N ATOM 897 CA PRO A 57 2.802 12.731 -6.023 1.00 0.00 C ATOM 898 C PRO A 57 1.337 13.127 -5.881 1.00 0.00 C ATOM 899 O PRO A 57 1.011 14.110 -5.216 1.00 0.00 O ATOM 900 CB PRO A 57 3.576 13.810 -6.784 1.00 0.00 C ATOM 901 CG PRO A 57 3.575 13.351 -8.201 1.00 0.00 C ATOM 902 CD PRO A 57 3.610 11.848 -8.148 1.00 0.00 C ATOM 0 HA PRO A 57 3.153 12.573 -5.003 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.098 14.785 -6.684 1.00 0.00 H new ATOM 0 HB3 PRO A 57 4.592 13.912 -6.402 1.00 0.00 H new ATOM 0 HG2 PRO A 57 2.686 13.703 -8.725 1.00 0.00 H new ATOM 0 HG3 PRO A 57 4.438 13.743 -8.739 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.063 11.404 -8.979 1.00 0.00 H new ATOM 0 HD3 PRO A 57 4.630 11.468 -8.199 1.00 0.00 H new ATOM 910 N ALA A 58 0.455 12.354 -6.508 1.00 0.00 N ATOM 911 CA ALA A 58 -0.975 12.624 -6.449 1.00 0.00 C ATOM 912 C ALA A 58 -1.592 12.041 -5.182 1.00 0.00 C ATOM 913 O ALA A 58 -2.267 12.743 -4.429 1.00 0.00 O ATOM 914 CB ALA A 58 -1.669 12.063 -7.681 1.00 0.00 C ATOM 0 H ALA A 58 0.707 11.536 -7.062 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.115 13.705 -6.426 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.737 12.272 -7.624 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.256 12.529 -8.575 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.512 10.985 -7.728 1.00 0.00 H new ATOM 920 N ASP A 59 -1.354 10.754 -4.952 1.00 0.00 N ATOM 921 CA ASP A 59 -1.886 10.076 -3.774 1.00 0.00 C ATOM 922 C ASP A 59 -0.762 9.458 -2.950 1.00 0.00 C ATOM 923 O ASP A 59 -1.012 8.743 -1.979 1.00 0.00 O ATOM 924 CB ASP A 59 -2.885 8.996 -4.189 1.00 0.00 C ATOM 925 CG ASP A 59 -4.212 9.577 -4.640 1.00 0.00 C ATOM 926 OD1 ASP A 59 -5.010 9.979 -3.768 1.00 0.00 O ATOM 927 OD2 ASP A 59 -4.452 9.628 -5.864 1.00 0.00 O ATOM 0 H ASP A 59 -0.797 10.159 -5.565 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.398 10.816 -3.159 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.458 8.402 -4.997 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.054 8.320 -3.351 1.00 0.00 H new ATOM 932 N SER A 60 0.477 9.736 -3.344 1.00 0.00 N ATOM 933 CA SER A 60 1.640 9.202 -2.645 1.00 0.00 C ATOM 934 C SER A 60 1.533 7.688 -2.489 1.00 0.00 C ATOM 935 O SER A 60 2.105 7.105 -1.569 1.00 0.00 O ATOM 936 CB SER A 60 1.780 9.858 -1.270 1.00 0.00 C ATOM 937 OG SER A 60 1.281 11.185 -1.285 1.00 0.00 O ATOM 0 H SER A 60 0.701 10.328 -4.144 1.00 0.00 H new ATOM 0 HA SER A 60 2.525 9.427 -3.240 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.240 9.271 -0.527 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.828 9.864 -0.971 1.00 0.00 H new ATOM 0 HG SER A 60 1.380 11.582 -0.394 1.00 0.00 H new ATOM 943 N GLY A 61 0.795 7.057 -3.398 1.00 0.00 N ATOM 944 CA GLY A 61 0.625 5.616 -3.345 1.00 0.00 C ATOM 945 C GLY A 61 -0.644 5.208 -2.622 1.00 0.00 C ATOM 946 O GLY A 61 -1.135 4.092 -2.797 1.00 0.00 O ATOM 0 H GLY A 61 0.312 7.518 -4.170 1.00 0.00 H new ATOM 0 HA2 GLY A 61 0.605 5.218 -4.360 1.00 0.00 H new ATOM 0 HA3 GLY A 61 1.484 5.170 -2.844 1.00 0.00 H new ATOM 950 N LEU A 62 -1.177 6.112 -1.808 1.00 0.00 N ATOM 951 CA LEU A 62 -2.395 5.841 -1.055 1.00 0.00 C ATOM 952 C LEU A 62 -3.390 5.048 -1.897 1.00 0.00 C ATOM 953 O LEU A 62 -4.081 4.164 -1.391 1.00 0.00 O ATOM 954 CB LEU A 62 -3.034 7.150 -0.589 1.00 0.00 C ATOM 955 CG LEU A 62 -4.491 7.062 -0.133 1.00 0.00 C ATOM 956 CD1 LEU A 62 -4.595 6.284 1.171 1.00 0.00 C ATOM 957 CD2 LEU A 62 -5.085 8.453 0.027 1.00 0.00 C ATOM 0 H LEU A 62 -0.784 7.040 -1.653 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.128 5.245 -0.183 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.440 7.548 0.234 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.972 7.871 -1.404 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.059 6.532 -0.897 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -5.639 6.231 1.481 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.208 5.275 1.025 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.013 6.788 1.943 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -6.122 8.371 0.352 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -4.515 9.009 0.771 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -5.044 8.978 -0.927 1.00 0.00 H new ATOM 969 N GLY A 63 -3.456 5.369 -3.186 1.00 0.00 N ATOM 970 CA GLY A 63 -4.367 4.676 -4.077 1.00 0.00 C ATOM 971 C GLY A 63 -3.872 3.294 -4.452 1.00 0.00 C ATOM 972 O GLY A 63 -4.546 2.294 -4.201 1.00 0.00 O ATOM 0 H GLY A 63 -2.895 6.097 -3.628 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -5.343 4.592 -3.600 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.505 5.267 -4.982 1.00 0.00 H new ATOM 976 N LYS A 64 -2.690 3.234 -5.058 1.00 0.00 N ATOM 977 CA LYS A 64 -2.104 1.964 -5.470 1.00 0.00 C ATOM 978 C LYS A 64 -2.210 0.929 -4.355 1.00 0.00 C ATOM 979 O LYS A 64 -2.426 -0.256 -4.612 1.00 0.00 O ATOM 980 CB LYS A 64 -0.637 2.160 -5.862 1.00 0.00 C ATOM 981 CG LYS A 64 -0.137 1.141 -6.871 1.00 0.00 C ATOM 982 CD LYS A 64 -0.769 1.351 -8.236 1.00 0.00 C ATOM 983 CE LYS A 64 0.045 0.686 -9.335 1.00 0.00 C ATOM 984 NZ LYS A 64 1.075 1.603 -9.896 1.00 0.00 N ATOM 0 H LYS A 64 -2.119 4.051 -5.275 1.00 0.00 H new ATOM 0 HA LYS A 64 -2.659 1.599 -6.334 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.510 3.161 -6.275 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -0.019 2.105 -4.966 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.947 1.214 -6.956 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.362 0.135 -6.516 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -1.781 0.946 -8.236 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.853 2.419 -8.439 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.530 -0.206 -8.938 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.622 0.358 -10.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.296 1.321 -10.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 0.712 2.578 -9.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 1.938 1.551 -9.318 1.00 0.00 H new ATOM 998 N LEU A 65 -2.056 1.383 -3.116 1.00 0.00 N ATOM 999 CA LEU A 65 -2.137 0.496 -1.961 1.00 0.00 C ATOM 1000 C LEU A 65 -3.554 -0.040 -1.783 1.00 0.00 C ATOM 1001 O LEU A 65 -3.760 -1.249 -1.665 1.00 0.00 O ATOM 1002 CB LEU A 65 -1.697 1.234 -0.694 1.00 0.00 C ATOM 1003 CG LEU A 65 -1.369 0.357 0.514 1.00 0.00 C ATOM 1004 CD1 LEU A 65 -2.625 -0.319 1.040 1.00 0.00 C ATOM 1005 CD2 LEU A 65 -0.316 -0.681 0.150 1.00 0.00 C ATOM 0 H LEU A 65 -1.874 2.360 -2.886 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.468 -0.347 -2.135 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.818 1.832 -0.933 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.487 1.929 -0.409 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.966 0.994 1.302 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.372 -0.939 1.900 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.348 0.440 1.340 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.057 -0.943 0.258 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.095 -1.296 1.022 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.691 -1.313 -0.655 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.593 -0.177 -0.178 1.00 0.00 H new ATOM 1017 N ILE A 66 -4.526 0.865 -1.766 1.00 0.00 N ATOM 1018 CA ILE A 66 -5.923 0.482 -1.607 1.00 0.00 C ATOM 1019 C ILE A 66 -6.249 -0.763 -2.425 1.00 0.00 C ATOM 1020 O ILE A 66 -6.675 -1.780 -1.882 1.00 0.00 O ATOM 1021 CB ILE A 66 -6.871 1.621 -2.026 1.00 0.00 C ATOM 1022 CG1 ILE A 66 -6.876 2.726 -0.967 1.00 0.00 C ATOM 1023 CG2 ILE A 66 -8.277 1.085 -2.249 1.00 0.00 C ATOM 1024 CD1 ILE A 66 -7.453 4.033 -1.462 1.00 0.00 C ATOM 0 H ILE A 66 -4.372 1.869 -1.860 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.072 0.267 -0.549 1.00 0.00 H new ATOM 0 HB ILE A 66 -6.513 2.046 -2.964 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -7.450 2.388 -0.104 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.855 2.895 -0.625 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -8.935 1.902 -2.545 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.258 0.331 -3.036 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -8.646 0.637 -1.326 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -7.425 4.770 -0.660 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -6.866 4.393 -2.307 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -8.485 3.879 -1.777 1.00 0.00 H new ATOM 1036 N GLU A 67 -6.043 -0.673 -3.736 1.00 0.00 N ATOM 1037 CA GLU A 67 -6.314 -1.794 -4.629 1.00 0.00 C ATOM 1038 C GLU A 67 -5.756 -3.093 -4.057 1.00 0.00 C ATOM 1039 O GLU A 67 -6.489 -4.063 -3.859 1.00 0.00 O ATOM 1040 CB GLU A 67 -5.710 -1.530 -6.011 1.00 0.00 C ATOM 1041 CG GLU A 67 -6.370 -0.382 -6.755 1.00 0.00 C ATOM 1042 CD GLU A 67 -6.148 -0.454 -8.253 1.00 0.00 C ATOM 1043 OE1 GLU A 67 -5.001 -0.719 -8.670 1.00 0.00 O ATOM 1044 OE2 GLU A 67 -7.120 -0.244 -9.008 1.00 0.00 O ATOM 0 H GLU A 67 -5.690 0.163 -4.202 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.395 -1.896 -4.726 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -4.647 -1.316 -5.899 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.791 -2.436 -6.612 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.440 -0.388 -6.549 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.979 0.563 -6.378 1.00 0.00 H new ATOM 1051 N PHE A 68 -4.453 -3.106 -3.794 1.00 0.00 N ATOM 1052 CA PHE A 68 -3.795 -4.286 -3.246 1.00 0.00 C ATOM 1053 C PHE A 68 -4.674 -4.960 -2.195 1.00 0.00 C ATOM 1054 O PHE A 68 -4.854 -6.178 -2.211 1.00 0.00 O ATOM 1055 CB PHE A 68 -2.446 -3.906 -2.632 1.00 0.00 C ATOM 1056 CG PHE A 68 -1.741 -5.057 -1.974 1.00 0.00 C ATOM 1057 CD1 PHE A 68 -1.424 -6.196 -2.695 1.00 0.00 C ATOM 1058 CD2 PHE A 68 -1.396 -4.999 -0.632 1.00 0.00 C ATOM 1059 CE1 PHE A 68 -0.775 -7.257 -2.092 1.00 0.00 C ATOM 1060 CE2 PHE A 68 -0.746 -6.057 -0.025 1.00 0.00 C ATOM 1061 CZ PHE A 68 -0.436 -7.187 -0.754 1.00 0.00 C ATOM 0 H PHE A 68 -3.832 -2.312 -3.952 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.629 -4.990 -4.061 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.804 -3.495 -3.411 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -2.600 -3.116 -1.897 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.687 -6.256 -3.741 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.638 -4.118 -0.055 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.533 -8.140 -2.666 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.481 -5.999 1.020 1.00 0.00 H new ATOM 0 HZ PHE A 68 0.070 -8.015 -0.280 1.00 0.00 H new ATOM 1071 N CYS A 69 -5.215 -4.160 -1.285 1.00 0.00 N ATOM 1072 CA CYS A 69 -6.074 -4.677 -0.226 1.00 0.00 C ATOM 1073 C CYS A 69 -7.387 -5.202 -0.797 1.00 0.00 C ATOM 1074 O CYS A 69 -7.776 -6.341 -0.536 1.00 0.00 O ATOM 1075 CB CYS A 69 -6.355 -3.587 0.810 1.00 0.00 C ATOM 1076 SG CYS A 69 -4.885 -3.005 1.686 1.00 0.00 S ATOM 0 H CYS A 69 -5.074 -3.150 -1.259 1.00 0.00 H new ATOM 0 HA CYS A 69 -5.553 -5.503 0.258 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -6.827 -2.740 0.312 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -7.071 -3.968 1.538 1.00 0.00 H new ATOM 0 HG CYS A 69 -5.224 -2.084 2.538 1.00 0.00 H new ATOM 1082 N GLU A 70 -8.064 -4.366 -1.577 1.00 0.00 N ATOM 1083 CA GLU A 70 -9.335 -4.746 -2.183 1.00 0.00 C ATOM 1084 C GLU A 70 -9.310 -6.207 -2.625 1.00 0.00 C ATOM 1085 O GLU A 70 -10.145 -7.007 -2.204 1.00 0.00 O ATOM 1086 CB GLU A 70 -9.644 -3.845 -3.380 1.00 0.00 C ATOM 1087 CG GLU A 70 -10.300 -2.529 -2.997 1.00 0.00 C ATOM 1088 CD GLU A 70 -11.797 -2.661 -2.794 1.00 0.00 C ATOM 1089 OE1 GLU A 70 -12.472 -3.215 -3.686 1.00 0.00 O ATOM 1090 OE2 GLU A 70 -12.294 -2.209 -1.741 1.00 0.00 O ATOM 0 H GLU A 70 -7.754 -3.421 -1.804 1.00 0.00 H new ATOM 0 HA GLU A 70 -10.117 -4.623 -1.434 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.718 -3.637 -3.916 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -10.298 -4.381 -4.068 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.845 -2.153 -2.081 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.106 -1.791 -3.775 1.00 0.00 H new ATOM 1097 N GLU A 71 -8.347 -6.545 -3.477 1.00 0.00 N ATOM 1098 CA GLU A 71 -8.216 -7.908 -3.978 1.00 0.00 C ATOM 1099 C GLU A 71 -8.305 -8.918 -2.836 1.00 0.00 C ATOM 1100 O GLU A 71 -9.048 -9.896 -2.915 1.00 0.00 O ATOM 1101 CB GLU A 71 -6.888 -8.077 -4.720 1.00 0.00 C ATOM 1102 CG GLU A 71 -6.687 -7.073 -5.842 1.00 0.00 C ATOM 1103 CD GLU A 71 -7.787 -7.130 -6.882 1.00 0.00 C ATOM 1104 OE1 GLU A 71 -8.112 -8.247 -7.340 1.00 0.00 O ATOM 1105 OE2 GLU A 71 -8.324 -6.061 -7.240 1.00 0.00 O ATOM 0 H GLU A 71 -7.647 -5.895 -3.834 1.00 0.00 H new ATOM 0 HA GLU A 71 -9.037 -8.094 -4.670 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -6.069 -7.982 -4.008 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -6.837 -9.085 -5.132 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -6.642 -6.068 -5.421 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -5.727 -7.260 -6.324 1.00 0.00 H new ATOM 1112 N VAL A 72 -7.541 -8.673 -1.777 1.00 0.00 N ATOM 1113 CA VAL A 72 -7.533 -9.559 -0.619 1.00 0.00 C ATOM 1114 C VAL A 72 -8.670 -9.222 0.339 1.00 0.00 C ATOM 1115 O VAL A 72 -8.849 -8.075 0.749 1.00 0.00 O ATOM 1116 CB VAL A 72 -6.195 -9.478 0.140 1.00 0.00 C ATOM 1117 CG1 VAL A 72 -6.018 -10.692 1.040 1.00 0.00 C ATOM 1118 CG2 VAL A 72 -5.035 -9.354 -0.836 1.00 0.00 C ATOM 0 H VAL A 72 -6.919 -7.868 -1.697 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.668 -10.573 -0.995 1.00 0.00 H new ATOM 0 HB VAL A 72 -6.207 -8.588 0.769 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -5.067 -10.618 1.568 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -6.833 -10.731 1.763 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -6.027 -11.598 0.434 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.098 -9.298 -0.282 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -5.017 -10.224 -1.492 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.158 -8.451 -1.434 1.00 0.00 H new ATOM 1128 N PRO A 73 -9.458 -10.244 0.705 1.00 0.00 N ATOM 1129 CA PRO A 73 -10.591 -10.081 1.621 1.00 0.00 C ATOM 1130 C PRO A 73 -10.145 -9.784 3.049 1.00 0.00 C ATOM 1131 O PRO A 73 -10.902 -9.226 3.842 1.00 0.00 O ATOM 1132 CB PRO A 73 -11.300 -11.436 1.552 1.00 0.00 C ATOM 1133 CG PRO A 73 -10.236 -12.400 1.154 1.00 0.00 C ATOM 1134 CD PRO A 73 -9.302 -11.637 0.255 1.00 0.00 C ATOM 0 HA PRO A 73 -11.224 -9.239 1.341 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -11.737 -11.704 2.514 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -12.113 -11.421 0.826 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -9.710 -12.784 2.028 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -10.662 -13.259 0.636 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -8.273 -11.980 0.360 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -9.571 -11.753 -0.795 1.00 0.00 H new ATOM 1142 N ALA A 74 -8.912 -10.160 3.369 1.00 0.00 N ATOM 1143 CA ALA A 74 -8.364 -9.932 4.700 1.00 0.00 C ATOM 1144 C ALA A 74 -7.807 -8.518 4.830 1.00 0.00 C ATOM 1145 O ALA A 74 -7.409 -8.095 5.915 1.00 0.00 O ATOM 1146 CB ALA A 74 -7.284 -10.958 5.010 1.00 0.00 C ATOM 0 H ALA A 74 -8.273 -10.624 2.724 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.173 -10.043 5.422 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -6.884 -10.775 6.007 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -7.711 -11.960 4.968 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -6.482 -10.875 4.277 1.00 0.00 H new ATOM 1152 N LEU A 75 -7.780 -7.794 3.717 1.00 0.00 N ATOM 1153 CA LEU A 75 -7.270 -6.427 3.706 1.00 0.00 C ATOM 1154 C LEU A 75 -8.347 -5.448 3.250 1.00 0.00 C ATOM 1155 O LEU A 75 -8.263 -4.250 3.518 1.00 0.00 O ATOM 1156 CB LEU A 75 -6.051 -6.324 2.788 1.00 0.00 C ATOM 1157 CG LEU A 75 -4.872 -7.235 3.133 1.00 0.00 C ATOM 1158 CD1 LEU A 75 -3.841 -7.223 2.014 1.00 0.00 C ATOM 1159 CD2 LEU A 75 -4.237 -6.809 4.449 1.00 0.00 C ATOM 0 H LEU A 75 -8.105 -8.130 2.811 1.00 0.00 H new ATOM 0 HA LEU A 75 -6.975 -6.167 4.723 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.369 -6.545 1.769 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.701 -5.292 2.796 1.00 0.00 H new ATOM 0 HG LEU A 75 -5.245 -8.253 3.244 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.010 -7.877 2.278 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.301 -7.576 1.091 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.472 -6.207 1.870 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.400 -7.468 4.679 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.879 -5.783 4.365 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -4.977 -6.871 5.247 1.00 0.00 H new ATOM 1171 N ARG A 76 -9.359 -5.967 2.563 1.00 0.00 N ATOM 1172 CA ARG A 76 -10.454 -5.139 2.072 1.00 0.00 C ATOM 1173 C ARG A 76 -10.916 -4.157 3.145 1.00 0.00 C ATOM 1174 O ARG A 76 -11.440 -3.086 2.836 1.00 0.00 O ATOM 1175 CB ARG A 76 -11.627 -6.017 1.630 1.00 0.00 C ATOM 1176 CG ARG A 76 -11.559 -6.431 0.169 1.00 0.00 C ATOM 1177 CD ARG A 76 -12.710 -7.353 -0.202 1.00 0.00 C ATOM 1178 NE ARG A 76 -13.970 -6.627 -0.341 1.00 0.00 N ATOM 1179 CZ ARG A 76 -15.071 -7.157 -0.863 1.00 0.00 C ATOM 1180 NH1 ARG A 76 -15.067 -8.411 -1.292 1.00 0.00 N ATOM 1181 NH2 ARG A 76 -16.178 -6.432 -0.955 1.00 0.00 N ATOM 0 H ARG A 76 -9.444 -6.957 2.334 1.00 0.00 H new ATOM 0 HA ARG A 76 -10.091 -4.571 1.215 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -11.655 -6.912 2.252 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -12.559 -5.479 1.804 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -11.584 -5.544 -0.463 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -10.611 -6.934 -0.024 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -12.480 -7.862 -1.138 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -12.818 -8.123 0.561 1.00 0.00 H new ATOM 0 HE ARG A 76 -14.007 -5.660 -0.020 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -14.218 -8.971 -1.222 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -15.913 -8.816 -1.692 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -16.184 -5.467 -0.625 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -17.023 -6.840 -1.356 1.00 0.00 H new ATOM 1195 N LYS A 77 -10.719 -4.530 4.404 1.00 0.00 N ATOM 1196 CA LYS A 77 -11.114 -3.682 5.524 1.00 0.00 C ATOM 1197 C LYS A 77 -10.310 -2.386 5.536 1.00 0.00 C ATOM 1198 O LYS A 77 -10.858 -1.307 5.760 1.00 0.00 O ATOM 1199 CB LYS A 77 -10.921 -4.427 6.847 1.00 0.00 C ATOM 1200 CG LYS A 77 -11.150 -3.559 8.072 1.00 0.00 C ATOM 1201 CD LYS A 77 -12.610 -3.565 8.494 1.00 0.00 C ATOM 1202 CE LYS A 77 -12.906 -4.703 9.458 1.00 0.00 C ATOM 1203 NZ LYS A 77 -12.756 -6.034 8.808 1.00 0.00 N ATOM 0 H LYS A 77 -10.288 -5.414 4.676 1.00 0.00 H new ATOM 0 HA LYS A 77 -12.168 -3.433 5.404 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.605 -5.275 6.880 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -9.909 -4.832 6.882 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -10.531 -3.918 8.894 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -10.836 -2.537 7.859 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -12.858 -2.614 8.965 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -13.244 -3.659 7.613 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -12.233 -4.639 10.313 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -13.921 -4.599 9.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -13.217 -6.760 9.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -13.200 -6.013 7.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -11.746 -6.260 8.709 1.00 0.00 H new ATOM 1217 N ARG A 78 -9.009 -2.500 5.291 1.00 0.00 N ATOM 1218 CA ARG A 78 -8.131 -1.337 5.273 1.00 0.00 C ATOM 1219 C ARG A 78 -8.352 -0.507 4.012 1.00 0.00 C ATOM 1220 O ARG A 78 -8.255 0.720 4.039 1.00 0.00 O ATOM 1221 CB ARG A 78 -6.667 -1.775 5.357 1.00 0.00 C ATOM 1222 CG ARG A 78 -6.275 -2.331 6.716 1.00 0.00 C ATOM 1223 CD ARG A 78 -6.175 -1.230 7.761 1.00 0.00 C ATOM 1224 NE ARG A 78 -5.988 -1.767 9.106 1.00 0.00 N ATOM 1225 CZ ARG A 78 -5.652 -1.024 10.154 1.00 0.00 C ATOM 1226 NH1 ARG A 78 -5.469 0.282 10.013 1.00 0.00 N ATOM 1227 NH2 ARG A 78 -5.501 -1.585 11.347 1.00 0.00 N ATOM 0 H ARG A 78 -8.540 -3.386 5.102 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.370 -0.720 6.140 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.479 -2.532 4.596 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -6.028 -0.923 5.124 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -7.010 -3.070 7.034 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.318 -2.847 6.637 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.342 -0.571 7.515 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -7.080 -0.623 7.736 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.123 -2.768 9.248 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -5.586 0.718 9.098 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -5.211 0.851 10.819 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -5.643 -2.589 11.460 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -5.243 -1.013 12.151 1.00 0.00 H new ATOM 1241 N ALA A 79 -8.650 -1.186 2.909 1.00 0.00 N ATOM 1242 CA ALA A 79 -8.888 -0.511 1.638 1.00 0.00 C ATOM 1243 C ALA A 79 -9.979 0.544 1.772 1.00 0.00 C ATOM 1244 O ALA A 79 -9.718 1.740 1.644 1.00 0.00 O ATOM 1245 CB ALA A 79 -9.258 -1.523 0.564 1.00 0.00 C ATOM 0 H ALA A 79 -8.732 -2.202 2.869 1.00 0.00 H new ATOM 0 HA ALA A 79 -7.967 -0.007 1.345 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.433 -1.005 -0.379 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.443 -2.237 0.441 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.163 -2.053 0.860 1.00 0.00 H new ATOM 1251 N GLU A 80 -11.203 0.094 2.029 1.00 0.00 N ATOM 1252 CA GLU A 80 -12.335 1.001 2.179 1.00 0.00 C ATOM 1253 C GLU A 80 -11.983 2.162 3.104 1.00 0.00 C ATOM 1254 O GLU A 80 -12.117 3.329 2.732 1.00 0.00 O ATOM 1255 CB GLU A 80 -13.551 0.249 2.725 1.00 0.00 C ATOM 1256 CG GLU A 80 -13.273 -0.501 4.016 1.00 0.00 C ATOM 1257 CD GLU A 80 -14.311 -1.567 4.307 1.00 0.00 C ATOM 1258 OE1 GLU A 80 -15.376 -1.222 4.859 1.00 0.00 O ATOM 1259 OE2 GLU A 80 -14.058 -2.746 3.982 1.00 0.00 O ATOM 0 H GLU A 80 -11.436 -0.893 2.138 1.00 0.00 H new ATOM 0 HA GLU A 80 -12.578 1.404 1.196 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -14.361 0.959 2.894 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -13.899 -0.458 1.972 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -12.288 -0.965 3.957 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -13.243 0.207 4.844 1.00 0.00 H new ATOM 1266 N ILE A 81 -11.533 1.834 4.310 1.00 0.00 N ATOM 1267 CA ILE A 81 -11.161 2.849 5.288 1.00 0.00 C ATOM 1268 C ILE A 81 -10.285 3.925 4.658 1.00 0.00 C ATOM 1269 O ILE A 81 -10.465 5.117 4.914 1.00 0.00 O ATOM 1270 CB ILE A 81 -10.414 2.231 6.485 1.00 0.00 C ATOM 1271 CG1 ILE A 81 -11.301 1.204 7.193 1.00 0.00 C ATOM 1272 CG2 ILE A 81 -9.976 3.318 7.455 1.00 0.00 C ATOM 1273 CD1 ILE A 81 -10.545 0.313 8.153 1.00 0.00 C ATOM 0 H ILE A 81 -11.417 0.874 4.634 1.00 0.00 H new ATOM 0 HA ILE A 81 -12.088 3.300 5.642 1.00 0.00 H new ATOM 0 HB ILE A 81 -9.524 1.721 6.115 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -12.086 1.728 7.738 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -11.793 0.583 6.444 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -9.450 2.865 8.295 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -9.312 4.015 6.944 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -10.852 3.853 7.821 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -11.236 -0.390 8.618 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -9.778 -0.239 7.610 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -10.075 0.924 8.924 1.00 0.00 H new ATOM 1285 N LEU A 82 -9.336 3.499 3.831 1.00 0.00 N ATOM 1286 CA LEU A 82 -8.432 4.427 3.160 1.00 0.00 C ATOM 1287 C LEU A 82 -9.192 5.320 2.185 1.00 0.00 C ATOM 1288 O LEU A 82 -9.127 6.546 2.269 1.00 0.00 O ATOM 1289 CB LEU A 82 -7.338 3.657 2.418 1.00 0.00 C ATOM 1290 CG LEU A 82 -6.323 2.922 3.294 1.00 0.00 C ATOM 1291 CD1 LEU A 82 -5.676 1.783 2.520 1.00 0.00 C ATOM 1292 CD2 LEU A 82 -5.266 3.887 3.809 1.00 0.00 C ATOM 0 H LEU A 82 -9.173 2.517 3.609 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.972 5.060 3.919 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.815 2.930 1.761 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -6.798 4.357 1.780 1.00 0.00 H new ATOM 0 HG LEU A 82 -6.849 2.500 4.150 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -4.957 1.271 3.159 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -6.444 1.078 2.201 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.164 2.183 1.645 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.552 3.347 4.431 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.744 4.339 2.966 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.744 4.668 4.400 1.00 0.00 H new ATOM 1304 N LYS A 83 -9.915 4.696 1.261 1.00 0.00 N ATOM 1305 CA LYS A 83 -10.691 5.433 0.271 1.00 0.00 C ATOM 1306 C LYS A 83 -11.423 6.606 0.916 1.00 0.00 C ATOM 1307 O LYS A 83 -11.560 7.672 0.316 1.00 0.00 O ATOM 1308 CB LYS A 83 -11.697 4.504 -0.414 1.00 0.00 C ATOM 1309 CG LYS A 83 -11.057 3.513 -1.369 1.00 0.00 C ATOM 1310 CD LYS A 83 -11.999 2.366 -1.697 1.00 0.00 C ATOM 1311 CE LYS A 83 -11.392 1.421 -2.722 1.00 0.00 C ATOM 1312 NZ LYS A 83 -12.433 0.614 -3.418 1.00 0.00 N ATOM 0 H LYS A 83 -9.980 3.681 1.177 1.00 0.00 H new ATOM 0 HA LYS A 83 -10.001 5.825 -0.476 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -12.250 3.956 0.349 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -12.422 5.107 -0.961 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -10.771 4.025 -2.288 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -10.142 3.119 -0.926 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -12.233 1.815 -0.786 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -12.939 2.764 -2.079 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -10.827 1.996 -3.456 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -10.686 0.754 -2.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -12.028 0.191 -4.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -12.768 -0.141 -2.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -13.232 1.227 -3.678 1.00 0.00 H new ATOM 1326 N LYS A 84 -11.891 6.402 2.143 1.00 0.00 N ATOM 1327 CA LYS A 84 -12.606 7.443 2.872 1.00 0.00 C ATOM 1328 C LYS A 84 -11.731 8.679 3.054 1.00 0.00 C ATOM 1329 O LYS A 84 -12.183 9.806 2.854 1.00 0.00 O ATOM 1330 CB LYS A 84 -13.058 6.920 4.236 1.00 0.00 C ATOM 1331 CG LYS A 84 -14.228 7.690 4.826 1.00 0.00 C ATOM 1332 CD LYS A 84 -14.203 7.663 6.345 1.00 0.00 C ATOM 1333 CE LYS A 84 -14.626 6.306 6.886 1.00 0.00 C ATOM 1334 NZ LYS A 84 -14.646 6.284 8.374 1.00 0.00 N ATOM 0 H LYS A 84 -11.788 5.525 2.653 1.00 0.00 H new ATOM 0 HA LYS A 84 -13.483 7.723 2.288 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -13.336 5.871 4.139 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -12.218 6.964 4.929 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -14.197 8.723 4.479 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -15.164 7.261 4.469 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -13.199 7.899 6.698 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -14.867 8.434 6.735 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -15.617 6.056 6.506 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -13.942 5.540 6.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -14.939 5.342 8.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -13.695 6.497 8.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -15.318 6.997 8.723 1.00 0.00 H new ATOM 1348 N GLU A 85 -10.476 8.459 3.434 1.00 0.00 N ATOM 1349 CA GLU A 85 -9.539 9.556 3.643 1.00 0.00 C ATOM 1350 C GLU A 85 -9.168 10.214 2.317 1.00 0.00 C ATOM 1351 O GLU A 85 -9.233 11.436 2.178 1.00 0.00 O ATOM 1352 CB GLU A 85 -8.276 9.051 4.344 1.00 0.00 C ATOM 1353 CG GLU A 85 -8.546 8.411 5.695 1.00 0.00 C ATOM 1354 CD GLU A 85 -8.681 9.432 6.809 1.00 0.00 C ATOM 1355 OE1 GLU A 85 -7.660 10.054 7.170 1.00 0.00 O ATOM 1356 OE2 GLU A 85 -9.807 9.610 7.318 1.00 0.00 O ATOM 0 H GLU A 85 -10.085 7.532 3.603 1.00 0.00 H new ATOM 0 HA GLU A 85 -10.025 10.299 4.275 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -7.779 8.325 3.700 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -7.586 9.885 4.477 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -9.460 7.820 5.636 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -7.736 7.722 5.935 1.00 0.00 H new