USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=15 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 :FLIP amide:sc= -7.21! C(o=-13!,f=-10!) USER MOD Set 1.2: A 42 GLN : amide:sc= -3.23 X(o=-10,f=-11) USER MOD Single : A 16 CYS SG : rot -18:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) 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 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -150:sc= 1.19 (180deg=0.775) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -4.17! C(o=-4.2!,f=-5.1!) USER MOD Single : A 40 GLN : amide:sc= -0.332 K(o=-0.33,f=-3.9!) USER MOD Single : A 43 TYR OH : rot 177:sc= 1.09 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 170:sc= 0 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 -143:sc= -1.86 (180deg=-2.56!) USER MOD Single : A 52 MET CE :methyl 172:sc= -0.934 (180deg=-1.1) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 180:sc= -0.62 USER MOD Single : A 77 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.42) USER MOD Single : A 83 LYS NZ :NH3+ -160:sc= -0.0115 (180deg=-0.316) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 120 N LEU A 11 0.172 7.038 4.612 1.00 0.00 N ATOM 121 CA LEU A 11 1.430 6.346 4.349 1.00 0.00 C ATOM 122 C LEU A 11 1.469 4.998 5.062 1.00 0.00 C ATOM 123 O LEU A 11 1.840 3.983 4.472 1.00 0.00 O ATOM 124 CB LEU A 11 2.613 7.207 4.796 1.00 0.00 C ATOM 125 CG LEU A 11 3.912 7.022 4.011 1.00 0.00 C ATOM 126 CD1 LEU A 11 4.559 5.690 4.357 1.00 0.00 C ATOM 127 CD2 LEU A 11 3.649 7.116 2.514 1.00 0.00 C ATOM 0 HA LEU A 11 1.502 6.171 3.276 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.319 8.255 4.731 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.814 6.996 5.846 1.00 0.00 H new ATOM 0 HG LEU A 11 4.600 7.821 4.290 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.482 5.575 3.789 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.783 5.660 5.423 1.00 0.00 H new ATOM 0 HD13 LEU A 11 3.876 4.878 4.107 1.00 0.00 H new ATOM 0 HD21 LEU A 11 4.585 6.982 1.971 1.00 0.00 H new ATOM 0 HD22 LEU A 11 2.944 6.339 2.219 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.230 8.094 2.279 1.00 0.00 H new ATOM 139 N ARG A 12 1.082 4.995 6.333 1.00 0.00 N ATOM 140 CA ARG A 12 1.071 3.772 7.126 1.00 0.00 C ATOM 141 C ARG A 12 0.411 2.632 6.358 1.00 0.00 C ATOM 142 O ARG A 12 0.633 1.459 6.656 1.00 0.00 O ATOM 143 CB ARG A 12 0.338 4.003 8.449 1.00 0.00 C ATOM 144 CG ARG A 12 0.796 3.083 9.568 1.00 0.00 C ATOM 145 CD ARG A 12 0.184 3.480 10.903 1.00 0.00 C ATOM 146 NE ARG A 12 0.187 2.375 11.857 1.00 0.00 N ATOM 147 CZ ARG A 12 -0.447 2.410 13.023 1.00 0.00 C ATOM 148 NH1 ARG A 12 -1.134 3.488 13.377 1.00 0.00 N ATOM 149 NH2 ARG A 12 -0.397 1.364 13.838 1.00 0.00 N ATOM 0 H ARG A 12 0.772 5.826 6.836 1.00 0.00 H new ATOM 0 HA ARG A 12 2.104 3.495 7.335 1.00 0.00 H new ATOM 0 HB2 ARG A 12 0.483 5.038 8.759 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -0.732 3.864 8.291 1.00 0.00 H new ATOM 0 HG2 ARG A 12 0.520 2.055 9.331 1.00 0.00 H new ATOM 0 HG3 ARG A 12 1.883 3.112 9.642 1.00 0.00 H new ATOM 0 HD2 ARG A 12 0.739 4.320 11.320 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -0.840 3.820 10.746 1.00 0.00 H new ATOM 0 HE ARG A 12 0.704 1.530 11.615 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -1.176 4.293 12.753 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -1.620 3.511 14.274 1.00 0.00 H new ATOM 0 HH21 ARG A 12 0.129 0.532 13.569 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -0.884 1.392 14.734 1.00 0.00 H new ATOM 163 N GLY A 13 -0.403 2.984 5.368 1.00 0.00 N ATOM 164 CA GLY A 13 -1.083 1.980 4.573 1.00 0.00 C ATOM 165 C GLY A 13 -0.199 0.789 4.262 1.00 0.00 C ATOM 166 O GLY A 13 -0.691 -0.310 4.004 1.00 0.00 O ATOM 0 H GLY A 13 -0.604 3.948 5.102 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -1.971 1.640 5.106 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.423 2.429 3.640 1.00 0.00 H new ATOM 170 N LEU A 14 1.112 1.006 4.285 1.00 0.00 N ATOM 171 CA LEU A 14 2.069 -0.058 4.002 1.00 0.00 C ATOM 172 C LEU A 14 2.492 -0.765 5.285 1.00 0.00 C ATOM 173 O LEU A 14 2.236 -1.955 5.462 1.00 0.00 O ATOM 174 CB LEU A 14 3.298 0.511 3.290 1.00 0.00 C ATOM 175 CG LEU A 14 3.019 1.476 2.137 1.00 0.00 C ATOM 176 CD1 LEU A 14 4.239 2.338 1.855 1.00 0.00 C ATOM 177 CD2 LEU A 14 2.607 0.709 0.888 1.00 0.00 C ATOM 0 H LEU A 14 1.536 1.909 4.497 1.00 0.00 H new ATOM 0 HA LEU A 14 1.584 -0.786 3.351 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.914 1.026 4.027 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.888 -0.321 2.906 1.00 0.00 H new ATOM 0 HG LEU A 14 2.196 2.130 2.427 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.021 3.018 1.032 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.491 2.915 2.745 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.081 1.700 1.586 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.412 1.411 0.077 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.409 0.031 0.596 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.704 0.135 1.095 1.00 0.00 H new ATOM 189 N GLU A 15 3.140 -0.023 6.177 1.00 0.00 N ATOM 190 CA GLU A 15 3.597 -0.580 7.445 1.00 0.00 C ATOM 191 C GLU A 15 2.470 -1.330 8.148 1.00 0.00 C ATOM 192 O GLU A 15 2.714 -2.162 9.023 1.00 0.00 O ATOM 193 CB GLU A 15 4.129 0.530 8.353 1.00 0.00 C ATOM 194 CG GLU A 15 5.212 0.065 9.313 1.00 0.00 C ATOM 195 CD GLU A 15 4.647 -0.470 10.614 1.00 0.00 C ATOM 196 OE1 GLU A 15 3.616 0.061 11.078 1.00 0.00 O ATOM 197 OE2 GLU A 15 5.237 -1.420 11.170 1.00 0.00 O ATOM 0 H GLU A 15 3.360 0.964 6.046 1.00 0.00 H new ATOM 0 HA GLU A 15 4.402 -1.284 7.234 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.525 1.335 7.734 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.301 0.947 8.927 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.808 -0.711 8.834 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.884 0.896 9.527 1.00 0.00 H new ATOM 204 N CYS A 16 1.235 -1.032 7.758 1.00 0.00 N ATOM 205 CA CYS A 16 0.069 -1.676 8.351 1.00 0.00 C ATOM 206 C CYS A 16 0.058 -3.170 8.043 1.00 0.00 C ATOM 207 O CYS A 16 0.125 -4.002 8.948 1.00 0.00 O ATOM 208 CB CYS A 16 -1.216 -1.027 7.836 1.00 0.00 C ATOM 209 SG CYS A 16 -2.731 -1.762 8.496 1.00 0.00 S ATOM 0 H CYS A 16 1.016 -0.348 7.033 1.00 0.00 H new ATOM 0 HA CYS A 16 0.124 -1.547 9.432 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -1.200 0.034 8.087 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -1.235 -1.097 6.748 1.00 0.00 H new ATOM 0 HG CYS A 16 -2.465 -2.936 8.987 1.00 0.00 H new ATOM 215 N ILE A 17 -0.029 -3.503 6.759 1.00 0.00 N ATOM 216 CA ILE A 17 -0.049 -4.895 6.330 1.00 0.00 C ATOM 217 C ILE A 17 1.248 -5.605 6.702 1.00 0.00 C ATOM 218 O ILE A 17 2.339 -5.076 6.490 1.00 0.00 O ATOM 219 CB ILE A 17 -0.269 -5.015 4.811 1.00 0.00 C ATOM 220 CG1 ILE A 17 0.735 -4.140 4.058 1.00 0.00 C ATOM 221 CG2 ILE A 17 -1.695 -4.623 4.450 1.00 0.00 C ATOM 222 CD1 ILE A 17 0.682 -4.314 2.556 1.00 0.00 C ATOM 0 H ILE A 17 -0.087 -2.827 5.998 1.00 0.00 H new ATOM 0 HA ILE A 17 -0.882 -5.371 6.848 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.112 -6.053 4.517 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.547 -3.094 4.301 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.741 -4.373 4.407 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -1.835 -4.713 3.373 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.395 -5.282 4.963 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.877 -3.593 4.755 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.421 -3.663 2.088 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.900 -5.351 2.302 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.313 -4.053 2.194 1.00 0.00 H new ATOM 234 N ASN A 18 1.122 -6.805 7.257 1.00 0.00 N ATOM 235 CA ASN A 18 2.287 -7.588 7.658 1.00 0.00 C ATOM 236 C ASN A 18 3.240 -7.784 6.483 1.00 0.00 C ATOM 237 O ASN A 18 2.832 -7.740 5.323 1.00 0.00 O ATOM 238 CB ASN A 18 1.848 -8.948 8.206 1.00 0.00 C ATOM 239 CG ASN A 18 1.503 -8.892 9.681 1.00 0.00 C ATOM 240 OD1 ASN A 18 0.492 -8.308 10.071 1.00 0.00 O ATOM 241 ND2 ASN A 18 2.343 -9.501 10.509 1.00 0.00 N ATOM 0 H ASN A 18 0.226 -7.257 7.440 1.00 0.00 H new ATOM 0 HA ASN A 18 2.811 -7.040 8.441 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.982 -9.300 7.646 1.00 0.00 H new ATOM 0 HB3 ASN A 18 2.645 -9.674 8.049 1.00 0.00 H new ATOM 0 HD21 ASN A 18 2.162 -9.497 11.513 1.00 0.00 H new ATOM 0 HD22 ASN A 18 3.169 -9.973 10.141 1.00 0.00 H new ATOM 248 N LYS A 19 4.514 -8.002 6.793 1.00 0.00 N ATOM 249 CA LYS A 19 5.527 -8.206 5.765 1.00 0.00 C ATOM 250 C LYS A 19 5.095 -9.292 4.783 1.00 0.00 C ATOM 251 O LYS A 19 5.620 -9.383 3.673 1.00 0.00 O ATOM 252 CB LYS A 19 6.864 -8.586 6.405 1.00 0.00 C ATOM 253 CG LYS A 19 8.035 -8.547 5.438 1.00 0.00 C ATOM 254 CD LYS A 19 8.564 -7.134 5.260 1.00 0.00 C ATOM 255 CE LYS A 19 9.471 -6.729 6.412 1.00 0.00 C ATOM 256 NZ LYS A 19 9.435 -5.261 6.657 1.00 0.00 N ATOM 0 H LYS A 19 4.869 -8.042 7.748 1.00 0.00 H new ATOM 0 HA LYS A 19 5.646 -7.271 5.217 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.066 -7.908 7.234 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.784 -9.589 6.825 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.833 -9.192 5.806 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.724 -8.944 4.472 1.00 0.00 H new ATOM 0 HD2 LYS A 19 9.114 -7.066 4.321 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.728 -6.437 5.191 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.166 -7.256 7.316 1.00 0.00 H new ATOM 0 HE3 LYS A 19 10.494 -7.036 6.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.066 -5.026 7.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.750 -4.759 5.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.464 -4.972 6.890 1.00 0.00 H new ATOM 270 N HIS A 20 4.135 -10.112 5.199 1.00 0.00 N ATOM 271 CA HIS A 20 3.631 -11.189 4.356 1.00 0.00 C ATOM 272 C HIS A 20 2.897 -10.630 3.140 1.00 0.00 C ATOM 273 O HIS A 20 3.181 -11.010 2.003 1.00 0.00 O ATOM 274 CB HIS A 20 2.696 -12.097 5.155 1.00 0.00 C ATOM 275 CG HIS A 20 1.865 -13.003 4.302 1.00 0.00 C ATOM 276 ND1 HIS A 20 2.396 -14.045 3.571 1.00 0.00 N ATOM 277 CD2 HIS A 20 0.532 -13.021 4.065 1.00 0.00 C ATOM 278 CE1 HIS A 20 1.426 -14.663 2.919 1.00 0.00 C ATOM 279 NE2 HIS A 20 0.285 -14.060 3.203 1.00 0.00 N ATOM 0 H HIS A 20 3.691 -10.051 6.115 1.00 0.00 H new ATOM 0 HA HIS A 20 4.484 -11.773 4.009 1.00 0.00 H new ATOM 0 HB2 HIS A 20 3.289 -12.701 5.841 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.036 -11.479 5.764 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.201 -12.343 4.478 1.00 0.00 H new ATOM 0 HE1 HIS A 20 1.546 -15.515 2.266 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -0.631 -14.324 2.840 1.00 0.00 H new ATOM 288 N TYR A 21 1.955 -9.727 3.387 1.00 0.00 N ATOM 289 CA TYR A 21 1.179 -9.118 2.314 1.00 0.00 C ATOM 290 C TYR A 21 2.006 -8.077 1.567 1.00 0.00 C ATOM 291 O TYR A 21 1.949 -7.983 0.341 1.00 0.00 O ATOM 292 CB TYR A 21 -0.089 -8.473 2.875 1.00 0.00 C ATOM 293 CG TYR A 21 -1.248 -9.434 3.011 1.00 0.00 C ATOM 294 CD1 TYR A 21 -1.693 -10.175 1.923 1.00 0.00 C ATOM 295 CD2 TYR A 21 -1.900 -9.599 4.227 1.00 0.00 C ATOM 296 CE1 TYR A 21 -2.752 -11.054 2.043 1.00 0.00 C ATOM 297 CE2 TYR A 21 -2.959 -10.476 4.356 1.00 0.00 C ATOM 298 CZ TYR A 21 -3.382 -11.201 3.261 1.00 0.00 C ATOM 299 OH TYR A 21 -4.437 -12.075 3.385 1.00 0.00 O ATOM 0 H TYR A 21 1.710 -9.400 4.322 1.00 0.00 H new ATOM 0 HA TYR A 21 0.898 -9.904 1.612 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.133 -8.044 3.852 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -0.385 -7.649 2.226 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.203 -10.062 0.967 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -1.573 -9.032 5.086 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -3.085 -11.623 1.188 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -3.453 -10.594 5.309 1.00 0.00 H new ATOM 0 HH TYR A 21 -4.767 -12.060 4.308 1.00 0.00 H new ATOM 309 N PHE A 22 2.776 -7.295 2.316 1.00 0.00 N ATOM 310 CA PHE A 22 3.616 -6.258 1.726 1.00 0.00 C ATOM 311 C PHE A 22 4.487 -6.832 0.613 1.00 0.00 C ATOM 312 O PHE A 22 4.602 -6.245 -0.464 1.00 0.00 O ATOM 313 CB PHE A 22 4.499 -5.616 2.800 1.00 0.00 C ATOM 314 CG PHE A 22 5.272 -4.426 2.306 1.00 0.00 C ATOM 315 CD1 PHE A 22 4.653 -3.448 1.545 1.00 0.00 C ATOM 316 CD2 PHE A 22 6.618 -4.286 2.605 1.00 0.00 C ATOM 317 CE1 PHE A 22 5.361 -2.352 1.090 1.00 0.00 C ATOM 318 CE2 PHE A 22 7.331 -3.192 2.154 1.00 0.00 C ATOM 319 CZ PHE A 22 6.702 -2.225 1.394 1.00 0.00 C ATOM 0 H PHE A 22 2.836 -7.359 3.332 1.00 0.00 H new ATOM 0 HA PHE A 22 2.964 -5.497 1.297 1.00 0.00 H new ATOM 0 HB2 PHE A 22 3.874 -5.311 3.639 1.00 0.00 H new ATOM 0 HB3 PHE A 22 5.198 -6.362 3.179 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.604 -3.543 1.304 1.00 0.00 H new ATOM 0 HD2 PHE A 22 7.115 -5.040 3.197 1.00 0.00 H new ATOM 0 HE1 PHE A 22 4.867 -1.596 0.498 1.00 0.00 H new ATOM 0 HE2 PHE A 22 8.379 -3.093 2.395 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.258 -1.371 1.038 1.00 0.00 H new ATOM 329 N SER A 23 5.098 -7.981 0.880 1.00 0.00 N ATOM 330 CA SER A 23 5.962 -8.633 -0.098 1.00 0.00 C ATOM 331 C SER A 23 5.263 -8.749 -1.449 1.00 0.00 C ATOM 332 O SER A 23 5.893 -8.627 -2.500 1.00 0.00 O ATOM 333 CB SER A 23 6.373 -10.020 0.398 1.00 0.00 C ATOM 334 OG SER A 23 7.503 -10.500 -0.308 1.00 0.00 O ATOM 0 H SER A 23 5.011 -8.480 1.765 1.00 0.00 H new ATOM 0 HA SER A 23 6.855 -8.021 -0.223 1.00 0.00 H new ATOM 0 HB2 SER A 23 6.598 -9.977 1.464 1.00 0.00 H new ATOM 0 HB3 SER A 23 5.542 -10.714 0.275 1.00 0.00 H new ATOM 0 HG SER A 23 7.747 -11.387 0.029 1.00 0.00 H new ATOM 340 N LEU A 24 3.956 -8.985 -1.413 1.00 0.00 N ATOM 341 CA LEU A 24 3.169 -9.118 -2.634 1.00 0.00 C ATOM 342 C LEU A 24 3.029 -7.774 -3.341 1.00 0.00 C ATOM 343 O LEU A 24 3.149 -7.688 -4.563 1.00 0.00 O ATOM 344 CB LEU A 24 1.785 -9.684 -2.313 1.00 0.00 C ATOM 345 CG LEU A 24 1.739 -11.158 -1.910 1.00 0.00 C ATOM 346 CD1 LEU A 24 1.956 -11.310 -0.412 1.00 0.00 C ATOM 347 CD2 LEU A 24 0.415 -11.784 -2.325 1.00 0.00 C ATOM 0 H LEU A 24 3.419 -9.088 -0.552 1.00 0.00 H new ATOM 0 HA LEU A 24 3.691 -9.805 -3.300 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.352 -9.094 -1.506 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.147 -9.547 -3.186 1.00 0.00 H new ATOM 0 HG LEU A 24 2.543 -11.681 -2.428 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.920 -12.366 -0.144 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.929 -10.900 -0.142 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.175 -10.773 0.125 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.400 -12.833 -2.030 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.405 -11.258 -1.836 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.300 -11.710 -3.406 1.00 0.00 H new ATOM 359 N PHE A 25 2.778 -6.725 -2.564 1.00 0.00 N ATOM 360 CA PHE A 25 2.624 -5.385 -3.115 1.00 0.00 C ATOM 361 C PHE A 25 3.860 -4.979 -3.913 1.00 0.00 C ATOM 362 O PHE A 25 3.753 -4.430 -5.010 1.00 0.00 O ATOM 363 CB PHE A 25 2.372 -4.375 -1.994 1.00 0.00 C ATOM 364 CG PHE A 25 2.019 -3.002 -2.491 1.00 0.00 C ATOM 365 CD1 PHE A 25 0.935 -2.814 -3.333 1.00 0.00 C ATOM 366 CD2 PHE A 25 2.771 -1.900 -2.117 1.00 0.00 C ATOM 367 CE1 PHE A 25 0.607 -1.552 -3.793 1.00 0.00 C ATOM 368 CE2 PHE A 25 2.448 -0.637 -2.573 1.00 0.00 C ATOM 369 CZ PHE A 25 1.365 -0.462 -3.412 1.00 0.00 C ATOM 0 H PHE A 25 2.677 -6.778 -1.550 1.00 0.00 H new ATOM 0 HA PHE A 25 1.766 -5.392 -3.787 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.565 -4.742 -1.360 1.00 0.00 H new ATOM 0 HB3 PHE A 25 3.263 -4.308 -1.369 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.339 -3.663 -3.634 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.619 -2.030 -1.461 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.240 -1.419 -4.449 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.042 0.214 -2.274 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.111 0.525 -3.769 1.00 0.00 H new ATOM 379 N LYS A 26 5.033 -5.252 -3.353 1.00 0.00 N ATOM 380 CA LYS A 26 6.291 -4.918 -4.010 1.00 0.00 C ATOM 381 C LYS A 26 6.431 -5.665 -5.332 1.00 0.00 C ATOM 382 O LYS A 26 7.046 -5.167 -6.275 1.00 0.00 O ATOM 383 CB LYS A 26 7.472 -5.253 -3.096 1.00 0.00 C ATOM 384 CG LYS A 26 7.801 -4.156 -2.099 1.00 0.00 C ATOM 385 CD LYS A 26 8.913 -4.577 -1.152 1.00 0.00 C ATOM 386 CE LYS A 26 8.403 -5.529 -0.081 1.00 0.00 C ATOM 387 NZ LYS A 26 9.518 -6.166 0.672 1.00 0.00 N ATOM 0 H LYS A 26 5.139 -5.704 -2.445 1.00 0.00 H new ATOM 0 HA LYS A 26 6.290 -3.848 -4.216 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.251 -6.172 -2.553 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.351 -5.450 -3.710 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.100 -3.255 -2.634 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.909 -3.905 -1.525 1.00 0.00 H new ATOM 0 HD2 LYS A 26 9.711 -5.058 -1.717 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.344 -3.694 -0.680 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.761 -4.985 0.612 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.790 -6.302 -0.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.224 -7.110 0.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 10.348 -6.256 0.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 9.762 -5.578 1.495 1.00 0.00 H new ATOM 401 N SER A 27 5.853 -6.860 -5.395 1.00 0.00 N ATOM 402 CA SER A 27 5.915 -7.677 -6.602 1.00 0.00 C ATOM 403 C SER A 27 5.111 -7.039 -7.731 1.00 0.00 C ATOM 404 O SER A 27 5.478 -7.137 -8.903 1.00 0.00 O ATOM 405 CB SER A 27 5.389 -9.085 -6.318 1.00 0.00 C ATOM 406 OG SER A 27 5.487 -9.907 -7.468 1.00 0.00 O ATOM 0 H SER A 27 5.336 -7.284 -4.625 1.00 0.00 H new ATOM 0 HA SER A 27 6.957 -7.743 -6.914 1.00 0.00 H new ATOM 0 HB2 SER A 27 5.955 -9.530 -5.500 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.350 -9.030 -5.994 1.00 0.00 H new ATOM 0 HG SER A 27 5.146 -10.802 -7.260 1.00 0.00 H new ATOM 412 N LEU A 28 4.013 -6.383 -7.369 1.00 0.00 N ATOM 413 CA LEU A 28 3.156 -5.728 -8.351 1.00 0.00 C ATOM 414 C LEU A 28 3.743 -4.387 -8.779 1.00 0.00 C ATOM 415 O LEU A 28 3.498 -3.916 -9.890 1.00 0.00 O ATOM 416 CB LEU A 28 1.754 -5.523 -7.775 1.00 0.00 C ATOM 417 CG LEU A 28 1.086 -6.760 -7.174 1.00 0.00 C ATOM 418 CD1 LEU A 28 -0.081 -6.359 -6.286 1.00 0.00 C ATOM 419 CD2 LEU A 28 0.622 -7.703 -8.275 1.00 0.00 C ATOM 0 H LEU A 28 3.696 -6.291 -6.404 1.00 0.00 H new ATOM 0 HA LEU A 28 3.092 -6.372 -9.228 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.809 -4.754 -7.004 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.111 -5.136 -8.566 1.00 0.00 H new ATOM 0 HG LEU A 28 1.819 -7.283 -6.560 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.544 -7.253 -5.867 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.279 -5.724 -5.477 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.816 -5.812 -6.876 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.149 -8.578 -7.829 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.095 -7.190 -8.916 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.479 -8.018 -8.870 1.00 0.00 H new ATOM 431 N LEU A 29 4.523 -3.779 -7.892 1.00 0.00 N ATOM 432 CA LEU A 29 5.149 -2.492 -8.178 1.00 0.00 C ATOM 433 C LEU A 29 6.544 -2.684 -8.764 1.00 0.00 C ATOM 434 O LEU A 29 7.072 -1.801 -9.439 1.00 0.00 O ATOM 435 CB LEU A 29 5.229 -1.647 -6.906 1.00 0.00 C ATOM 436 CG LEU A 29 4.031 -0.742 -6.624 1.00 0.00 C ATOM 437 CD1 LEU A 29 3.975 0.399 -7.628 1.00 0.00 C ATOM 438 CD2 LEU A 29 2.737 -1.545 -6.654 1.00 0.00 C ATOM 0 H LEU A 29 4.737 -4.156 -6.969 1.00 0.00 H new ATOM 0 HA LEU A 29 4.535 -1.972 -8.913 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.360 -2.317 -6.057 1.00 0.00 H new ATOM 0 HB3 LEU A 29 6.123 -1.026 -6.963 1.00 0.00 H new ATOM 0 HG LEU A 29 4.149 -0.316 -5.628 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.115 1.033 -7.411 1.00 0.00 H new ATOM 0 HD12 LEU A 29 4.888 0.990 -7.558 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.881 -0.007 -8.635 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.894 -0.884 -6.451 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.613 -1.999 -7.637 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.776 -2.327 -5.895 1.00 0.00 H new ATOM 450 N ALA A 30 7.135 -3.846 -8.503 1.00 0.00 N ATOM 451 CA ALA A 30 8.467 -4.155 -9.008 1.00 0.00 C ATOM 452 C ALA A 30 8.693 -3.529 -10.379 1.00 0.00 C ATOM 453 O ALA A 30 9.728 -2.908 -10.626 1.00 0.00 O ATOM 454 CB ALA A 30 8.670 -5.662 -9.074 1.00 0.00 C ATOM 0 H ALA A 30 6.712 -4.588 -7.945 1.00 0.00 H new ATOM 0 HA ALA A 30 9.197 -3.731 -8.319 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.669 -5.878 -9.453 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.560 -6.088 -8.077 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.927 -6.100 -9.740 1.00 0.00 H new ATOM 460 N ARG A 31 7.721 -3.696 -11.269 1.00 0.00 N ATOM 461 CA ARG A 31 7.815 -3.148 -12.617 1.00 0.00 C ATOM 462 C ARG A 31 7.830 -1.623 -12.584 1.00 0.00 C ATOM 463 O ARG A 31 8.687 -0.986 -13.196 1.00 0.00 O ATOM 464 CB ARG A 31 6.647 -3.641 -13.474 1.00 0.00 C ATOM 465 CG ARG A 31 5.378 -3.902 -12.680 1.00 0.00 C ATOM 466 CD ARG A 31 5.313 -5.340 -12.191 1.00 0.00 C ATOM 467 NE ARG A 31 4.653 -6.217 -13.155 1.00 0.00 N ATOM 468 CZ ARG A 31 3.353 -6.173 -13.419 1.00 0.00 C ATOM 469 NH1 ARG A 31 2.576 -5.299 -12.793 1.00 0.00 N ATOM 470 NH2 ARG A 31 2.826 -7.003 -14.310 1.00 0.00 N ATOM 0 H ARG A 31 6.858 -4.207 -11.081 1.00 0.00 H new ATOM 0 HA ARG A 31 8.750 -3.493 -13.058 1.00 0.00 H new ATOM 0 HB2 ARG A 31 6.437 -2.902 -14.247 1.00 0.00 H new ATOM 0 HB3 ARG A 31 6.942 -4.559 -13.983 1.00 0.00 H new ATOM 0 HG2 ARG A 31 5.335 -3.224 -11.827 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.508 -3.688 -13.301 1.00 0.00 H new ATOM 0 HD2 ARG A 31 6.323 -5.704 -12.002 1.00 0.00 H new ATOM 0 HD3 ARG A 31 4.778 -5.376 -11.242 1.00 0.00 H new ATOM 0 HE ARG A 31 5.223 -6.901 -13.653 1.00 0.00 H new ATOM 0 HH11 ARG A 31 2.977 -4.659 -12.107 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.577 -5.267 -12.997 1.00 0.00 H new ATOM 0 HH21 ARG A 31 3.420 -7.677 -14.793 1.00 0.00 H new ATOM 0 HH22 ARG A 31 1.827 -6.968 -14.511 1.00 0.00 H new ATOM 484 N ASP A 32 6.873 -1.044 -11.866 1.00 0.00 N ATOM 485 CA ASP A 32 6.776 0.407 -11.753 1.00 0.00 C ATOM 486 C ASP A 32 7.990 0.979 -11.028 1.00 0.00 C ATOM 487 O ASP A 32 8.745 1.773 -11.590 1.00 0.00 O ATOM 488 CB ASP A 32 5.494 0.797 -11.013 1.00 0.00 C ATOM 489 CG ASP A 32 4.257 0.640 -11.876 1.00 0.00 C ATOM 490 OD1 ASP A 32 3.944 -0.506 -12.260 1.00 0.00 O ATOM 491 OD2 ASP A 32 3.604 1.663 -12.170 1.00 0.00 O ATOM 0 H ASP A 32 6.155 -1.556 -11.354 1.00 0.00 H new ATOM 0 HA ASP A 32 6.748 0.824 -12.760 1.00 0.00 H new ATOM 0 HB2 ASP A 32 5.391 0.180 -10.120 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.571 1.832 -10.679 1.00 0.00 H new ATOM 496 N LEU A 33 8.171 0.571 -9.777 1.00 0.00 N ATOM 497 CA LEU A 33 9.295 1.043 -8.973 1.00 0.00 C ATOM 498 C LEU A 33 10.601 0.409 -9.439 1.00 0.00 C ATOM 499 O LEU A 33 11.661 0.660 -8.868 1.00 0.00 O ATOM 500 CB LEU A 33 9.059 0.726 -7.496 1.00 0.00 C ATOM 501 CG LEU A 33 7.841 1.391 -6.852 1.00 0.00 C ATOM 502 CD1 LEU A 33 7.645 0.885 -5.432 1.00 0.00 C ATOM 503 CD2 LEU A 33 7.993 2.905 -6.865 1.00 0.00 C ATOM 0 H LEU A 33 7.555 -0.085 -9.297 1.00 0.00 H new ATOM 0 HA LEU A 33 9.372 2.123 -9.098 1.00 0.00 H new ATOM 0 HB2 LEU A 33 8.957 -0.354 -7.389 1.00 0.00 H new ATOM 0 HB3 LEU A 33 9.947 1.020 -6.936 1.00 0.00 H new ATOM 0 HG LEU A 33 6.957 1.129 -7.433 1.00 0.00 H new ATOM 0 HD11 LEU A 33 6.774 1.369 -4.990 1.00 0.00 H new ATOM 0 HD12 LEU A 33 7.491 -0.194 -5.448 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.529 1.116 -4.838 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.118 3.362 -6.403 1.00 0.00 H new ATOM 0 HD22 LEU A 33 8.886 3.186 -6.307 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.084 3.253 -7.894 1.00 0.00 H new ATOM 515 N ASN A 34 10.517 -0.411 -10.481 1.00 0.00 N ATOM 516 CA ASN A 34 11.694 -1.079 -11.025 1.00 0.00 C ATOM 517 C ASN A 34 12.528 -1.706 -9.911 1.00 0.00 C ATOM 518 O ASN A 34 13.758 -1.659 -9.939 1.00 0.00 O ATOM 519 CB ASN A 34 12.547 -0.088 -11.820 1.00 0.00 C ATOM 520 CG ASN A 34 13.070 1.045 -10.958 1.00 0.00 C ATOM 521 OD1 ASN A 34 12.455 2.107 -10.869 1.00 0.00 O ATOM 522 ND2 ASN A 34 14.213 0.823 -10.318 1.00 0.00 N ATOM 0 H ASN A 34 9.646 -0.629 -10.966 1.00 0.00 H new ATOM 0 HA ASN A 34 11.355 -1.872 -11.691 1.00 0.00 H new ATOM 0 HB2 ASN A 34 13.387 -0.616 -12.271 1.00 0.00 H new ATOM 0 HB3 ASN A 34 11.954 0.324 -12.637 1.00 0.00 H new ATOM 0 HD21 ASN A 34 14.614 1.549 -9.724 1.00 0.00 H new ATOM 0 HD22 ASN A 34 14.689 -0.073 -10.421 1.00 0.00 H new ATOM 529 N LEU A 35 11.849 -2.291 -8.931 1.00 0.00 N ATOM 530 CA LEU A 35 12.525 -2.930 -7.807 1.00 0.00 C ATOM 531 C LEU A 35 13.493 -4.004 -8.292 1.00 0.00 C ATOM 532 O LEU A 35 13.681 -4.186 -9.495 1.00 0.00 O ATOM 533 CB LEU A 35 11.502 -3.543 -6.851 1.00 0.00 C ATOM 534 CG LEU A 35 10.408 -2.602 -6.343 1.00 0.00 C ATOM 535 CD1 LEU A 35 9.308 -3.388 -5.648 1.00 0.00 C ATOM 536 CD2 LEU A 35 10.997 -1.559 -5.404 1.00 0.00 C ATOM 0 H LEU A 35 10.831 -2.336 -8.892 1.00 0.00 H new ATOM 0 HA LEU A 35 13.095 -2.166 -7.277 1.00 0.00 H new ATOM 0 HB2 LEU A 35 11.025 -4.385 -7.353 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.035 -3.946 -5.990 1.00 0.00 H new ATOM 0 HG LEU A 35 9.972 -2.087 -7.199 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.539 -2.702 -5.293 1.00 0.00 H new ATOM 0 HD12 LEU A 35 8.867 -4.096 -6.350 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.728 -3.931 -4.801 1.00 0.00 H new ATOM 0 HD21 LEU A 35 10.205 -0.898 -5.052 1.00 0.00 H new ATOM 0 HD22 LEU A 35 11.460 -2.057 -4.552 1.00 0.00 H new ATOM 0 HD23 LEU A 35 11.748 -0.974 -5.935 1.00 0.00 H new ATOM 548 N GLU A 36 14.103 -4.713 -7.348 1.00 0.00 N ATOM 549 CA GLU A 36 15.051 -5.771 -7.680 1.00 0.00 C ATOM 550 C GLU A 36 14.322 -7.025 -8.154 1.00 0.00 C ATOM 551 O GLU A 36 13.092 -7.071 -8.174 1.00 0.00 O ATOM 552 CB GLU A 36 15.925 -6.102 -6.469 1.00 0.00 C ATOM 553 CG GLU A 36 17.195 -5.273 -6.390 1.00 0.00 C ATOM 554 CD GLU A 36 17.021 -3.882 -6.967 1.00 0.00 C ATOM 555 OE1 GLU A 36 16.037 -3.206 -6.601 1.00 0.00 O ATOM 556 OE2 GLU A 36 17.869 -3.470 -7.787 1.00 0.00 O ATOM 0 H GLU A 36 13.958 -4.575 -6.348 1.00 0.00 H new ATOM 0 HA GLU A 36 15.687 -5.413 -8.490 1.00 0.00 H new ATOM 0 HB2 GLU A 36 15.344 -5.949 -5.560 1.00 0.00 H new ATOM 0 HB3 GLU A 36 16.192 -7.158 -6.502 1.00 0.00 H new ATOM 0 HG2 GLU A 36 17.508 -5.194 -5.349 1.00 0.00 H new ATOM 0 HG3 GLU A 36 17.994 -5.787 -6.925 1.00 0.00 H new ATOM 563 N ARG A 37 15.091 -8.040 -8.535 1.00 0.00 N ATOM 564 CA ARG A 37 14.519 -9.294 -9.011 1.00 0.00 C ATOM 565 C ARG A 37 14.266 -10.251 -7.850 1.00 0.00 C ATOM 566 O ARG A 37 13.162 -10.770 -7.690 1.00 0.00 O ATOM 567 CB ARG A 37 15.451 -9.950 -10.032 1.00 0.00 C ATOM 568 CG ARG A 37 15.446 -9.264 -11.388 1.00 0.00 C ATOM 569 CD ARG A 37 16.484 -8.155 -11.456 1.00 0.00 C ATOM 570 NE ARG A 37 16.793 -7.776 -12.832 1.00 0.00 N ATOM 571 CZ ARG A 37 17.576 -6.753 -13.156 1.00 0.00 C ATOM 572 NH1 ARG A 37 18.126 -6.010 -12.206 1.00 0.00 N ATOM 573 NH2 ARG A 37 17.809 -6.473 -14.432 1.00 0.00 N ATOM 0 H ARG A 37 16.111 -8.019 -8.523 1.00 0.00 H new ATOM 0 HA ARG A 37 13.566 -9.070 -9.490 1.00 0.00 H new ATOM 0 HB2 ARG A 37 16.467 -9.949 -9.637 1.00 0.00 H new ATOM 0 HB3 ARG A 37 15.160 -10.993 -10.160 1.00 0.00 H new ATOM 0 HG2 ARG A 37 15.645 -9.998 -12.169 1.00 0.00 H new ATOM 0 HG3 ARG A 37 14.457 -8.850 -11.584 1.00 0.00 H new ATOM 0 HD2 ARG A 37 16.118 -7.283 -10.914 1.00 0.00 H new ATOM 0 HD3 ARG A 37 17.396 -8.482 -10.957 1.00 0.00 H new ATOM 0 HE ARG A 37 16.385 -8.328 -13.587 1.00 0.00 H new ATOM 0 HH11 ARG A 37 17.948 -6.223 -11.225 1.00 0.00 H new ATOM 0 HH12 ARG A 37 18.727 -5.225 -12.456 1.00 0.00 H new ATOM 0 HH21 ARG A 37 17.387 -7.043 -15.165 1.00 0.00 H new ATOM 0 HH22 ARG A 37 18.410 -5.687 -14.680 1.00 0.00 H new ATOM 587 N ASP A 38 15.296 -10.480 -7.043 1.00 0.00 N ATOM 588 CA ASP A 38 15.185 -11.374 -5.896 1.00 0.00 C ATOM 589 C ASP A 38 15.537 -10.645 -4.602 1.00 0.00 C ATOM 590 O ASP A 38 15.440 -11.210 -3.515 1.00 0.00 O ATOM 591 CB ASP A 38 16.101 -12.586 -6.077 1.00 0.00 C ATOM 592 CG ASP A 38 15.476 -13.658 -6.948 1.00 0.00 C ATOM 593 OD1 ASP A 38 14.590 -14.385 -6.452 1.00 0.00 O ATOM 594 OD2 ASP A 38 15.873 -13.770 -8.127 1.00 0.00 O ATOM 0 H ASP A 38 16.217 -10.059 -7.162 1.00 0.00 H new ATOM 0 HA ASP A 38 14.152 -11.715 -5.831 1.00 0.00 H new ATOM 0 HB2 ASP A 38 17.042 -12.263 -6.522 1.00 0.00 H new ATOM 0 HB3 ASP A 38 16.338 -13.008 -5.100 1.00 0.00 H new ATOM 599 N ASN A 39 15.945 -9.387 -4.731 1.00 0.00 N ATOM 600 CA ASN A 39 16.312 -8.580 -3.573 1.00 0.00 C ATOM 601 C ASN A 39 15.204 -7.590 -3.226 1.00 0.00 C ATOM 602 O ASN A 39 15.473 -6.476 -2.776 1.00 0.00 O ATOM 603 CB ASN A 39 17.618 -7.829 -3.841 1.00 0.00 C ATOM 604 CG ASN A 39 18.413 -7.580 -2.574 1.00 0.00 C ATOM 605 OD1 ASN A 39 19.315 -6.607 -2.622 1.00 0.00 O flip ATOM 606 ND2 ASN A 39 18.219 -8.257 -1.563 1.00 0.00 N flip ATOM 0 H ASN A 39 16.030 -8.904 -5.626 1.00 0.00 H new ATOM 0 HA ASN A 39 16.454 -9.250 -2.725 1.00 0.00 H new ATOM 0 HB2 ASN A 39 18.226 -8.402 -4.541 1.00 0.00 H new ATOM 0 HB3 ASN A 39 17.394 -6.875 -4.319 1.00 0.00 H new ATOM 0 HD21 ASN A 39 17.515 -8.995 -1.571 1.00 0.00 H new ATOM 0 HD22 ASN A 39 18.762 -8.079 -0.718 1.00 0.00 H new ATOM 613 N GLN A 40 13.960 -8.004 -3.438 1.00 0.00 N ATOM 614 CA GLN A 40 12.811 -7.154 -3.148 1.00 0.00 C ATOM 615 C GLN A 40 12.401 -7.275 -1.685 1.00 0.00 C ATOM 616 O GLN A 40 11.584 -6.496 -1.193 1.00 0.00 O ATOM 617 CB GLN A 40 11.635 -7.523 -4.053 1.00 0.00 C ATOM 618 CG GLN A 40 11.687 -6.860 -5.420 1.00 0.00 C ATOM 619 CD GLN A 40 10.479 -7.189 -6.275 1.00 0.00 C ATOM 620 OE1 GLN A 40 9.361 -6.762 -5.981 1.00 0.00 O ATOM 621 NE2 GLN A 40 10.696 -7.951 -7.340 1.00 0.00 N ATOM 0 H GLN A 40 13.721 -8.923 -3.810 1.00 0.00 H new ATOM 0 HA GLN A 40 13.097 -6.120 -3.342 1.00 0.00 H new ATOM 0 HB2 GLN A 40 11.614 -8.605 -4.184 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.705 -7.243 -3.558 1.00 0.00 H new ATOM 0 HG2 GLN A 40 11.754 -5.779 -5.293 1.00 0.00 H new ATOM 0 HG3 GLN A 40 12.592 -7.177 -5.939 1.00 0.00 H new ATOM 0 HE21 GLN A 40 11.638 -8.283 -7.546 1.00 0.00 H new ATOM 0 HE22 GLN A 40 9.921 -8.205 -7.952 1.00 0.00 H new ATOM 630 N GLU A 41 12.971 -8.256 -0.993 1.00 0.00 N ATOM 631 CA GLU A 41 12.662 -8.479 0.414 1.00 0.00 C ATOM 632 C GLU A 41 13.447 -7.519 1.302 1.00 0.00 C ATOM 633 O GLU A 41 12.885 -6.875 2.187 1.00 0.00 O ATOM 634 CB GLU A 41 12.976 -9.925 0.805 1.00 0.00 C ATOM 635 CG GLU A 41 11.848 -10.896 0.502 1.00 0.00 C ATOM 636 CD GLU A 41 12.078 -12.266 1.109 1.00 0.00 C ATOM 637 OE1 GLU A 41 12.987 -12.980 0.638 1.00 0.00 O ATOM 638 OE2 GLU A 41 11.349 -12.624 2.058 1.00 0.00 O ATOM 0 H GLU A 41 13.650 -8.909 -1.384 1.00 0.00 H new ATOM 0 HA GLU A 41 11.598 -8.294 0.560 1.00 0.00 H new ATOM 0 HB2 GLU A 41 13.874 -10.248 0.278 1.00 0.00 H new ATOM 0 HB3 GLU A 41 13.201 -9.964 1.871 1.00 0.00 H new ATOM 0 HG2 GLU A 41 10.911 -10.488 0.881 1.00 0.00 H new ATOM 0 HG3 GLU A 41 11.739 -10.995 -0.578 1.00 0.00 H new ATOM 645 N GLN A 42 14.751 -7.429 1.058 1.00 0.00 N ATOM 646 CA GLN A 42 15.614 -6.547 1.838 1.00 0.00 C ATOM 647 C GLN A 42 14.970 -5.177 2.019 1.00 0.00 C ATOM 648 O GLN A 42 15.238 -4.480 2.998 1.00 0.00 O ATOM 649 CB GLN A 42 16.975 -6.399 1.154 1.00 0.00 C ATOM 650 CG GLN A 42 16.891 -5.821 -0.249 1.00 0.00 C ATOM 651 CD GLN A 42 18.173 -5.129 -0.672 1.00 0.00 C ATOM 652 OE1 GLN A 42 19.179 -5.173 0.035 1.00 0.00 O ATOM 653 NE2 GLN A 42 18.141 -4.484 -1.832 1.00 0.00 N ATOM 0 H GLN A 42 15.233 -7.954 0.328 1.00 0.00 H new ATOM 0 HA GLN A 42 15.756 -6.993 2.822 1.00 0.00 H new ATOM 0 HB2 GLN A 42 17.611 -5.758 1.764 1.00 0.00 H new ATOM 0 HB3 GLN A 42 17.457 -7.376 1.107 1.00 0.00 H new ATOM 0 HG2 GLN A 42 16.664 -6.620 -0.954 1.00 0.00 H new ATOM 0 HG3 GLN A 42 16.066 -5.110 -0.296 1.00 0.00 H new ATOM 0 HE21 GLN A 42 17.285 -4.473 -2.386 1.00 0.00 H new ATOM 0 HE22 GLN A 42 18.973 -3.999 -2.169 1.00 0.00 H new ATOM 662 N TYR A 43 14.122 -4.796 1.070 1.00 0.00 N ATOM 663 CA TYR A 43 13.443 -3.508 1.125 1.00 0.00 C ATOM 664 C TYR A 43 12.418 -3.480 2.255 1.00 0.00 C ATOM 665 O TYR A 43 11.986 -4.524 2.745 1.00 0.00 O ATOM 666 CB TYR A 43 12.755 -3.214 -0.210 1.00 0.00 C ATOM 667 CG TYR A 43 13.711 -2.791 -1.303 1.00 0.00 C ATOM 668 CD1 TYR A 43 14.633 -1.774 -1.091 1.00 0.00 C ATOM 669 CD2 TYR A 43 13.690 -3.407 -2.547 1.00 0.00 C ATOM 670 CE1 TYR A 43 15.508 -1.384 -2.087 1.00 0.00 C ATOM 671 CE2 TYR A 43 14.561 -3.025 -3.549 1.00 0.00 C ATOM 672 CZ TYR A 43 15.468 -2.013 -3.314 1.00 0.00 C ATOM 673 OH TYR A 43 16.337 -1.628 -4.309 1.00 0.00 O ATOM 0 H TYR A 43 13.889 -5.361 0.254 1.00 0.00 H new ATOM 0 HA TYR A 43 14.191 -2.739 1.319 1.00 0.00 H new ATOM 0 HB2 TYR A 43 12.215 -4.104 -0.535 1.00 0.00 H new ATOM 0 HB3 TYR A 43 12.014 -2.428 -0.062 1.00 0.00 H new ATOM 0 HD1 TYR A 43 14.667 -1.280 -0.131 1.00 0.00 H new ATOM 0 HD2 TYR A 43 12.980 -4.199 -2.735 1.00 0.00 H new ATOM 0 HE1 TYR A 43 16.219 -0.591 -1.906 1.00 0.00 H new ATOM 0 HE2 TYR A 43 14.532 -3.516 -4.511 1.00 0.00 H new ATOM 0 HH TYR A 43 16.212 -2.202 -5.093 1.00 0.00 H new ATOM 683 N THR A 44 12.033 -2.275 2.665 1.00 0.00 N ATOM 684 CA THR A 44 11.059 -2.108 3.737 1.00 0.00 C ATOM 685 C THR A 44 9.985 -1.098 3.352 1.00 0.00 C ATOM 686 O THR A 44 10.162 -0.311 2.422 1.00 0.00 O ATOM 687 CB THR A 44 11.735 -1.648 5.043 1.00 0.00 C ATOM 688 OG1 THR A 44 12.344 -0.366 4.854 1.00 0.00 O ATOM 689 CG2 THR A 44 12.786 -2.653 5.491 1.00 0.00 C ATOM 0 H THR A 44 12.381 -1.401 2.271 1.00 0.00 H new ATOM 0 HA THR A 44 10.597 -3.082 3.898 1.00 0.00 H new ATOM 0 HB THR A 44 10.970 -1.576 5.816 1.00 0.00 H new ATOM 0 HG1 THR A 44 12.770 -0.080 5.689 1.00 0.00 H new ATOM 0 HG21 THR A 44 13.250 -2.307 6.415 1.00 0.00 H new ATOM 0 HG22 THR A 44 12.315 -3.621 5.662 1.00 0.00 H new ATOM 0 HG23 THR A 44 13.548 -2.752 4.718 1.00 0.00 H new ATOM 697 N THR A 45 8.869 -1.125 4.074 1.00 0.00 N ATOM 698 CA THR A 45 7.765 -0.212 3.806 1.00 0.00 C ATOM 699 C THR A 45 8.251 1.230 3.723 1.00 0.00 C ATOM 700 O THR A 45 7.600 2.080 3.115 1.00 0.00 O ATOM 701 CB THR A 45 6.677 -0.312 4.893 1.00 0.00 C ATOM 702 OG1 THR A 45 7.272 -0.206 6.192 1.00 0.00 O ATOM 703 CG2 THR A 45 5.920 -1.626 4.782 1.00 0.00 C ATOM 0 H THR A 45 8.706 -1.769 4.848 1.00 0.00 H new ATOM 0 HA THR A 45 7.339 -0.505 2.846 1.00 0.00 H new ATOM 0 HB THR A 45 5.973 0.507 4.748 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.568 -0.108 6.867 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.158 -1.673 5.560 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.445 -1.690 3.803 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.614 -2.457 4.904 1.00 0.00 H new ATOM 711 N ILE A 46 9.400 1.498 4.334 1.00 0.00 N ATOM 712 CA ILE A 46 9.974 2.838 4.326 1.00 0.00 C ATOM 713 C ILE A 46 10.603 3.159 2.974 1.00 0.00 C ATOM 714 O ILE A 46 10.101 4.000 2.230 1.00 0.00 O ATOM 715 CB ILE A 46 11.040 3.000 5.426 1.00 0.00 C ATOM 716 CG1 ILE A 46 10.375 3.075 6.802 1.00 0.00 C ATOM 717 CG2 ILE A 46 11.881 4.242 5.170 1.00 0.00 C ATOM 718 CD1 ILE A 46 9.411 4.232 6.946 1.00 0.00 C ATOM 0 H ILE A 46 9.952 0.805 4.841 1.00 0.00 H new ATOM 0 HA ILE A 46 9.156 3.533 4.518 1.00 0.00 H new ATOM 0 HB ILE A 46 11.697 2.130 5.407 1.00 0.00 H new ATOM 0 HG12 ILE A 46 9.842 2.143 6.990 1.00 0.00 H new ATOM 0 HG13 ILE A 46 11.148 3.160 7.566 1.00 0.00 H new ATOM 0 HG21 ILE A 46 12.630 4.343 5.956 1.00 0.00 H new ATOM 0 HG22 ILE A 46 12.378 4.152 4.204 1.00 0.00 H new ATOM 0 HG23 ILE A 46 11.238 5.122 5.166 1.00 0.00 H new ATOM 0 HD11 ILE A 46 8.978 4.222 7.946 1.00 0.00 H new ATOM 0 HD12 ILE A 46 9.943 5.170 6.790 1.00 0.00 H new ATOM 0 HD13 ILE A 46 8.617 4.138 6.206 1.00 0.00 H new ATOM 730 N GLN A 47 11.702 2.479 2.664 1.00 0.00 N ATOM 731 CA GLN A 47 12.399 2.691 1.400 1.00 0.00 C ATOM 732 C GLN A 47 11.415 2.727 0.235 1.00 0.00 C ATOM 733 O GLN A 47 11.548 3.543 -0.676 1.00 0.00 O ATOM 734 CB GLN A 47 13.435 1.589 1.174 1.00 0.00 C ATOM 735 CG GLN A 47 14.524 1.549 2.235 1.00 0.00 C ATOM 736 CD GLN A 47 15.796 0.889 1.743 1.00 0.00 C ATOM 737 OE1 GLN A 47 16.522 1.450 0.922 1.00 0.00 O ATOM 738 NE2 GLN A 47 16.072 -0.309 2.244 1.00 0.00 N ATOM 0 H GLN A 47 12.129 1.778 3.269 1.00 0.00 H new ATOM 0 HA GLN A 47 12.908 3.653 1.452 1.00 0.00 H new ATOM 0 HB2 GLN A 47 12.928 0.625 1.150 1.00 0.00 H new ATOM 0 HB3 GLN A 47 13.897 1.731 0.197 1.00 0.00 H new ATOM 0 HG2 GLN A 47 14.748 2.566 2.558 1.00 0.00 H new ATOM 0 HG3 GLN A 47 14.155 1.011 3.108 1.00 0.00 H new ATOM 0 HE21 GLN A 47 15.441 -0.736 2.922 1.00 0.00 H new ATOM 0 HE22 GLN A 47 16.915 -0.803 1.951 1.00 0.00 H new ATOM 747 N ILE A 48 10.430 1.836 0.272 1.00 0.00 N ATOM 748 CA ILE A 48 9.424 1.767 -0.781 1.00 0.00 C ATOM 749 C ILE A 48 8.530 3.002 -0.769 1.00 0.00 C ATOM 750 O ILE A 48 8.213 3.561 -1.818 1.00 0.00 O ATOM 751 CB ILE A 48 8.545 0.511 -0.637 1.00 0.00 C ATOM 752 CG1 ILE A 48 9.418 -0.744 -0.566 1.00 0.00 C ATOM 753 CG2 ILE A 48 7.564 0.415 -1.796 1.00 0.00 C ATOM 754 CD1 ILE A 48 10.043 -1.120 -1.891 1.00 0.00 C ATOM 0 H ILE A 48 10.307 1.152 1.019 1.00 0.00 H new ATOM 0 HA ILE A 48 9.961 1.719 -1.728 1.00 0.00 H new ATOM 0 HB ILE A 48 7.976 0.588 0.290 1.00 0.00 H new ATOM 0 HG12 ILE A 48 10.208 -0.586 0.168 1.00 0.00 H new ATOM 0 HG13 ILE A 48 8.813 -1.578 -0.209 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.950 -0.478 -1.680 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.924 1.297 -1.805 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.115 0.357 -2.735 1.00 0.00 H new ATOM 0 HD11 ILE A 48 10.648 -2.018 -1.766 1.00 0.00 H new ATOM 0 HD12 ILE A 48 9.258 -1.310 -2.623 1.00 0.00 H new ATOM 0 HD13 ILE A 48 10.674 -0.303 -2.240 1.00 0.00 H new ATOM 766 N ALA A 49 8.131 3.426 0.425 1.00 0.00 N ATOM 767 CA ALA A 49 7.277 4.598 0.574 1.00 0.00 C ATOM 768 C ALA A 49 7.867 5.802 -0.152 1.00 0.00 C ATOM 769 O ALA A 49 7.226 6.389 -1.023 1.00 0.00 O ATOM 770 CB ALA A 49 7.071 4.917 2.048 1.00 0.00 C ATOM 0 H ALA A 49 8.385 2.975 1.304 1.00 0.00 H new ATOM 0 HA ALA A 49 6.310 4.373 0.124 1.00 0.00 H new ATOM 0 HB1 ALA A 49 6.431 5.794 2.144 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.599 4.068 2.542 1.00 0.00 H new ATOM 0 HB3 ALA A 49 8.035 5.118 2.515 1.00 0.00 H new ATOM 776 N ASN A 50 9.092 6.165 0.213 1.00 0.00 N ATOM 777 CA ASN A 50 9.769 7.302 -0.404 1.00 0.00 C ATOM 778 C ASN A 50 9.800 7.157 -1.922 1.00 0.00 C ATOM 779 O ASN A 50 9.558 8.117 -2.652 1.00 0.00 O ATOM 780 CB ASN A 50 11.194 7.427 0.138 1.00 0.00 C ATOM 781 CG ASN A 50 11.226 7.885 1.583 1.00 0.00 C ATOM 782 OD1 ASN A 50 10.831 9.007 1.900 1.00 0.00 O ATOM 783 ND2 ASN A 50 11.696 7.015 2.468 1.00 0.00 N ATOM 0 H ASN A 50 9.637 5.689 0.932 1.00 0.00 H new ATOM 0 HA ASN A 50 9.212 8.205 -0.155 1.00 0.00 H new ATOM 0 HB2 ASN A 50 11.697 6.464 0.054 1.00 0.00 H new ATOM 0 HB3 ASN A 50 11.753 8.133 -0.476 1.00 0.00 H new ATOM 0 HD21 ASN A 50 11.740 7.266 3.456 1.00 0.00 H new ATOM 0 HD22 ASN A 50 12.013 6.095 2.161 1.00 0.00 H new ATOM 790 N MET A 51 10.098 5.949 -2.390 1.00 0.00 N ATOM 791 CA MET A 51 10.159 5.679 -3.822 1.00 0.00 C ATOM 792 C MET A 51 8.851 6.063 -4.504 1.00 0.00 C ATOM 793 O MET A 51 8.848 6.548 -5.635 1.00 0.00 O ATOM 794 CB MET A 51 10.463 4.200 -4.071 1.00 0.00 C ATOM 795 CG MET A 51 11.928 3.839 -3.882 1.00 0.00 C ATOM 796 SD MET A 51 12.434 2.436 -4.893 1.00 0.00 S ATOM 797 CE MET A 51 12.351 1.107 -3.694 1.00 0.00 C ATOM 0 H MET A 51 10.301 5.143 -1.799 1.00 0.00 H new ATOM 0 HA MET A 51 10.960 6.284 -4.247 1.00 0.00 H new ATOM 0 HB2 MET A 51 9.858 3.595 -3.396 1.00 0.00 H new ATOM 0 HB3 MET A 51 10.162 3.942 -5.086 1.00 0.00 H new ATOM 0 HG2 MET A 51 12.546 4.702 -4.130 1.00 0.00 H new ATOM 0 HG3 MET A 51 12.109 3.609 -2.832 1.00 0.00 H new ATOM 0 HE1 MET A 51 13.166 0.406 -3.871 1.00 0.00 H new ATOM 0 HE2 MET A 51 12.438 1.518 -2.688 1.00 0.00 H new ATOM 0 HE3 MET A 51 11.398 0.587 -3.792 1.00 0.00 H new ATOM 807 N MET A 52 7.739 5.843 -3.809 1.00 0.00 N ATOM 808 CA MET A 52 6.424 6.168 -4.349 1.00 0.00 C ATOM 809 C MET A 52 6.140 7.662 -4.226 1.00 0.00 C ATOM 810 O MET A 52 5.663 8.291 -5.171 1.00 0.00 O ATOM 811 CB MET A 52 5.340 5.370 -3.622 1.00 0.00 C ATOM 812 CG MET A 52 5.479 3.865 -3.788 1.00 0.00 C ATOM 813 SD MET A 52 4.034 2.964 -3.194 1.00 0.00 S ATOM 814 CE MET A 52 3.335 2.390 -4.740 1.00 0.00 C ATOM 0 H MET A 52 7.723 5.441 -2.872 1.00 0.00 H new ATOM 0 HA MET A 52 6.416 5.900 -5.406 1.00 0.00 H new ATOM 0 HB2 MET A 52 5.371 5.615 -2.560 1.00 0.00 H new ATOM 0 HB3 MET A 52 4.363 5.679 -3.992 1.00 0.00 H new ATOM 0 HG2 MET A 52 5.640 3.633 -4.841 1.00 0.00 H new ATOM 0 HG3 MET A 52 6.362 3.524 -3.248 1.00 0.00 H new ATOM 0 HE1 MET A 52 2.517 1.699 -4.535 1.00 0.00 H new ATOM 0 HE2 MET A 52 2.958 3.241 -5.307 1.00 0.00 H new ATOM 0 HE3 MET A 52 4.104 1.880 -5.320 1.00 0.00 H new ATOM 824 N GLU A 53 6.436 8.222 -3.058 1.00 0.00 N ATOM 825 CA GLU A 53 6.210 9.642 -2.814 1.00 0.00 C ATOM 826 C GLU A 53 6.655 10.477 -4.010 1.00 0.00 C ATOM 827 O GLU A 53 5.910 11.326 -4.499 1.00 0.00 O ATOM 828 CB GLU A 53 6.959 10.091 -1.558 1.00 0.00 C ATOM 829 CG GLU A 53 6.251 9.725 -0.263 1.00 0.00 C ATOM 830 CD GLU A 53 7.188 9.707 0.929 1.00 0.00 C ATOM 831 OE1 GLU A 53 7.520 10.797 1.439 1.00 0.00 O ATOM 832 OE2 GLU A 53 7.588 8.603 1.352 1.00 0.00 O ATOM 0 H GLU A 53 6.832 7.715 -2.266 1.00 0.00 H new ATOM 0 HA GLU A 53 5.141 9.793 -2.665 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.953 9.643 -1.558 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.097 11.172 -1.594 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.448 10.438 -0.078 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.788 8.744 -0.371 1.00 0.00 H new ATOM 839 N GLU A 54 7.875 10.229 -4.477 1.00 0.00 N ATOM 840 CA GLU A 54 8.420 10.959 -5.616 1.00 0.00 C ATOM 841 C GLU A 54 7.815 10.458 -6.924 1.00 0.00 C ATOM 842 O GLU A 54 7.297 11.240 -7.722 1.00 0.00 O ATOM 843 CB GLU A 54 9.943 10.819 -5.658 1.00 0.00 C ATOM 844 CG GLU A 54 10.420 9.377 -5.706 1.00 0.00 C ATOM 845 CD GLU A 54 10.573 8.860 -7.123 1.00 0.00 C ATOM 846 OE1 GLU A 54 10.582 9.688 -8.058 1.00 0.00 O ATOM 847 OE2 GLU A 54 10.682 7.628 -7.297 1.00 0.00 O ATOM 0 H GLU A 54 8.504 9.529 -4.084 1.00 0.00 H new ATOM 0 HA GLU A 54 8.162 12.011 -5.497 1.00 0.00 H new ATOM 0 HB2 GLU A 54 10.324 11.348 -6.531 1.00 0.00 H new ATOM 0 HB3 GLU A 54 10.369 11.305 -4.780 1.00 0.00 H new ATOM 0 HG2 GLU A 54 11.376 9.297 -5.189 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.713 8.746 -5.167 1.00 0.00 H new ATOM 854 N LYS A 55 7.885 9.148 -7.136 1.00 0.00 N ATOM 855 CA LYS A 55 7.344 8.540 -8.346 1.00 0.00 C ATOM 856 C LYS A 55 5.896 8.965 -8.569 1.00 0.00 C ATOM 857 O LYS A 55 5.583 9.655 -9.540 1.00 0.00 O ATOM 858 CB LYS A 55 7.431 7.015 -8.258 1.00 0.00 C ATOM 859 CG LYS A 55 6.989 6.306 -9.526 1.00 0.00 C ATOM 860 CD LYS A 55 8.138 6.156 -10.511 1.00 0.00 C ATOM 861 CE LYS A 55 8.951 4.902 -10.231 1.00 0.00 C ATOM 862 NZ LYS A 55 10.310 4.976 -10.837 1.00 0.00 N ATOM 0 H LYS A 55 8.311 8.487 -6.486 1.00 0.00 H new ATOM 0 HA LYS A 55 7.939 8.884 -9.192 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.459 6.731 -8.032 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.815 6.672 -7.427 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.593 5.322 -9.275 1.00 0.00 H new ATOM 0 HG3 LYS A 55 6.179 6.866 -9.993 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.745 6.117 -11.527 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.785 7.031 -10.453 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.041 4.760 -9.154 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.425 4.032 -10.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 10.833 4.103 -10.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.225 5.086 -11.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 10.822 5.791 -10.443 1.00 0.00 H new ATOM 876 N PHE A 56 5.016 8.550 -7.663 1.00 0.00 N ATOM 877 CA PHE A 56 3.602 8.887 -7.761 1.00 0.00 C ATOM 878 C PHE A 56 3.216 9.924 -6.709 1.00 0.00 C ATOM 879 O PHE A 56 2.697 9.599 -5.642 1.00 0.00 O ATOM 880 CB PHE A 56 2.743 7.632 -7.593 1.00 0.00 C ATOM 881 CG PHE A 56 3.422 6.375 -8.057 1.00 0.00 C ATOM 882 CD1 PHE A 56 3.344 5.980 -9.383 1.00 0.00 C ATOM 883 CD2 PHE A 56 4.137 5.590 -7.168 1.00 0.00 C ATOM 884 CE1 PHE A 56 3.967 4.824 -9.812 1.00 0.00 C ATOM 885 CE2 PHE A 56 4.763 4.432 -7.592 1.00 0.00 C ATOM 886 CZ PHE A 56 4.678 4.049 -8.917 1.00 0.00 C ATOM 0 H PHE A 56 5.258 7.980 -6.853 1.00 0.00 H new ATOM 0 HA PHE A 56 3.424 9.312 -8.749 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.474 7.524 -6.542 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.814 7.760 -8.149 1.00 0.00 H new ATOM 0 HD1 PHE A 56 2.790 6.582 -10.088 1.00 0.00 H new ATOM 0 HD2 PHE A 56 4.207 5.886 -6.132 1.00 0.00 H new ATOM 0 HE1 PHE A 56 3.898 4.526 -10.848 1.00 0.00 H new ATOM 0 HE2 PHE A 56 5.317 3.828 -6.889 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.166 3.146 -9.252 1.00 0.00 H new ATOM 896 N PRO A 57 3.478 11.203 -7.017 1.00 0.00 N ATOM 897 CA PRO A 57 3.167 12.315 -6.114 1.00 0.00 C ATOM 898 C PRO A 57 1.667 12.552 -5.979 1.00 0.00 C ATOM 899 O PRO A 57 1.232 13.448 -5.257 1.00 0.00 O ATOM 900 CB PRO A 57 3.841 13.515 -6.784 1.00 0.00 C ATOM 901 CG PRO A 57 3.909 13.154 -8.227 1.00 0.00 C ATOM 902 CD PRO A 57 4.096 11.663 -8.272 1.00 0.00 C ATOM 0 HA PRO A 57 3.516 12.125 -5.099 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.266 14.428 -6.631 1.00 0.00 H new ATOM 0 HB3 PRO A 57 4.835 13.691 -6.373 1.00 0.00 H new ATOM 0 HG2 PRO A 57 2.997 13.449 -8.746 1.00 0.00 H new ATOM 0 HG3 PRO A 57 4.736 13.666 -8.719 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.611 11.223 -9.143 1.00 0.00 H new ATOM 0 HD3 PRO A 57 5.150 11.392 -8.324 1.00 0.00 H new ATOM 910 N ALA A 58 0.879 11.740 -6.680 1.00 0.00 N ATOM 911 CA ALA A 58 -0.572 11.861 -6.636 1.00 0.00 C ATOM 912 C ALA A 58 -1.129 11.322 -5.323 1.00 0.00 C ATOM 913 O ALA A 58 -1.785 12.045 -4.573 1.00 0.00 O ATOM 914 CB ALA A 58 -1.197 11.131 -7.815 1.00 0.00 C ATOM 0 H ALA A 58 1.222 10.993 -7.284 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.826 12.919 -6.700 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.282 11.229 -7.770 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.832 11.564 -8.746 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.926 10.076 -7.775 1.00 0.00 H new ATOM 920 N ASP A 59 -0.863 10.050 -5.051 1.00 0.00 N ATOM 921 CA ASP A 59 -1.337 9.414 -3.827 1.00 0.00 C ATOM 922 C ASP A 59 -0.168 8.894 -2.997 1.00 0.00 C ATOM 923 O ASP A 59 -0.356 8.392 -1.888 1.00 0.00 O ATOM 924 CB ASP A 59 -2.292 8.266 -4.160 1.00 0.00 C ATOM 925 CG ASP A 59 -3.310 8.648 -5.217 1.00 0.00 C ATOM 926 OD1 ASP A 59 -3.996 9.675 -5.036 1.00 0.00 O ATOM 927 OD2 ASP A 59 -3.421 7.919 -6.226 1.00 0.00 O ATOM 0 H ASP A 59 -0.321 9.438 -5.662 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.871 10.163 -3.241 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.717 7.408 -4.507 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.812 7.956 -3.254 1.00 0.00 H new ATOM 932 N SER A 60 1.038 9.017 -3.540 1.00 0.00 N ATOM 933 CA SER A 60 2.238 8.556 -2.851 1.00 0.00 C ATOM 934 C SER A 60 2.137 7.069 -2.522 1.00 0.00 C ATOM 935 O SER A 60 2.676 6.607 -1.518 1.00 0.00 O ATOM 936 CB SER A 60 2.456 9.361 -1.568 1.00 0.00 C ATOM 937 OG SER A 60 2.252 10.745 -1.792 1.00 0.00 O ATOM 0 H SER A 60 1.211 9.432 -4.456 1.00 0.00 H new ATOM 0 HA SER A 60 3.090 8.707 -3.514 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.773 9.010 -0.795 1.00 0.00 H new ATOM 0 HB3 SER A 60 3.468 9.195 -1.198 1.00 0.00 H new ATOM 0 HG SER A 60 2.396 11.236 -0.956 1.00 0.00 H new ATOM 943 N GLY A 61 1.442 6.326 -3.378 1.00 0.00 N ATOM 944 CA GLY A 61 1.282 4.900 -3.161 1.00 0.00 C ATOM 945 C GLY A 61 -0.039 4.558 -2.503 1.00 0.00 C ATOM 946 O GLY A 61 -0.567 3.460 -2.686 1.00 0.00 O ATOM 0 H GLY A 61 0.987 6.686 -4.217 1.00 0.00 H new ATOM 0 HA2 GLY A 61 1.354 4.380 -4.116 1.00 0.00 H new ATOM 0 HA3 GLY A 61 2.099 4.537 -2.538 1.00 0.00 H new ATOM 950 N LEU A 62 -0.576 5.498 -1.734 1.00 0.00 N ATOM 951 CA LEU A 62 -1.845 5.290 -1.045 1.00 0.00 C ATOM 952 C LEU A 62 -2.857 4.609 -1.959 1.00 0.00 C ATOM 953 O LEU A 62 -3.541 3.670 -1.555 1.00 0.00 O ATOM 954 CB LEU A 62 -2.403 6.626 -0.551 1.00 0.00 C ATOM 955 CG LEU A 62 -3.898 6.649 -0.225 1.00 0.00 C ATOM 956 CD1 LEU A 62 -4.169 5.934 1.089 1.00 0.00 C ATOM 957 CD2 LEU A 62 -4.411 8.080 -0.172 1.00 0.00 C ATOM 0 H LEU A 62 -0.153 6.412 -1.572 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.664 4.640 -0.189 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.852 6.919 0.343 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.205 7.383 -1.310 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.431 6.123 -1.017 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -5.237 5.961 1.304 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.840 4.898 1.014 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.625 6.430 1.892 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.476 8.076 0.061 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.873 8.631 0.599 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.253 8.559 -1.138 1.00 0.00 H new ATOM 969 N GLY A 63 -2.946 5.088 -3.196 1.00 0.00 N ATOM 970 CA GLY A 63 -3.875 4.512 -4.150 1.00 0.00 C ATOM 971 C GLY A 63 -3.463 3.123 -4.595 1.00 0.00 C ATOM 972 O GLY A 63 -4.183 2.151 -4.368 1.00 0.00 O ATOM 0 H GLY A 63 -2.391 5.865 -3.554 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -4.868 4.467 -3.703 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -3.946 5.163 -5.021 1.00 0.00 H new ATOM 976 N LYS A 64 -2.301 3.028 -5.233 1.00 0.00 N ATOM 977 CA LYS A 64 -1.793 1.749 -5.712 1.00 0.00 C ATOM 978 C LYS A 64 -1.941 0.669 -4.643 1.00 0.00 C ATOM 979 O LYS A 64 -2.205 -0.493 -4.952 1.00 0.00 O ATOM 980 CB LYS A 64 -0.324 1.880 -6.119 1.00 0.00 C ATOM 981 CG LYS A 64 0.137 0.804 -7.089 1.00 0.00 C ATOM 982 CD LYS A 64 -0.298 1.113 -8.511 1.00 0.00 C ATOM 983 CE LYS A 64 0.516 0.325 -9.526 1.00 0.00 C ATOM 984 NZ LYS A 64 -0.056 0.428 -10.896 1.00 0.00 N ATOM 0 H LYS A 64 -1.693 3.823 -5.430 1.00 0.00 H new ATOM 0 HA LYS A 64 -2.380 1.457 -6.583 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.167 2.858 -6.573 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.297 1.841 -5.224 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.223 0.719 -7.050 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.270 -0.160 -6.784 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -1.356 0.877 -8.629 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.187 2.180 -8.703 1.00 0.00 H new ATOM 0 HE2 LYS A 64 1.542 0.692 -9.532 1.00 0.00 H new ATOM 0 HE3 LYS A 64 0.554 -0.722 -9.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 0.527 -0.123 -11.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.026 0.054 -10.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -0.069 1.425 -11.193 1.00 0.00 H new ATOM 998 N LEU A 65 -1.771 1.063 -3.386 1.00 0.00 N ATOM 999 CA LEU A 65 -1.887 0.129 -2.270 1.00 0.00 C ATOM 1000 C LEU A 65 -3.343 -0.255 -2.031 1.00 0.00 C ATOM 1001 O LEU A 65 -3.702 -1.431 -2.086 1.00 0.00 O ATOM 1002 CB LEU A 65 -1.294 0.745 -1.001 1.00 0.00 C ATOM 1003 CG LEU A 65 -1.003 -0.228 0.143 1.00 0.00 C ATOM 1004 CD1 LEU A 65 -2.296 -0.673 0.808 1.00 0.00 C ATOM 1005 CD2 LEU A 65 -0.220 -1.430 -0.365 1.00 0.00 C ATOM 0 H LEU A 65 -1.553 2.021 -3.113 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.330 -0.773 -2.523 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.366 1.251 -1.266 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.981 1.509 -0.636 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.396 0.287 0.887 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.069 -1.365 1.619 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.817 0.197 1.208 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.930 -1.170 0.074 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.022 -2.111 0.462 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.801 -1.946 -1.129 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.725 -1.094 -0.793 1.00 0.00 H new ATOM 1017 N ILE A 66 -4.177 0.745 -1.767 1.00 0.00 N ATOM 1018 CA ILE A 66 -5.595 0.512 -1.522 1.00 0.00 C ATOM 1019 C ILE A 66 -6.118 -0.637 -2.376 1.00 0.00 C ATOM 1020 O ILE A 66 -6.767 -1.554 -1.871 1.00 0.00 O ATOM 1021 CB ILE A 66 -6.431 1.773 -1.811 1.00 0.00 C ATOM 1022 CG1 ILE A 66 -6.236 2.806 -0.699 1.00 0.00 C ATOM 1023 CG2 ILE A 66 -7.902 1.412 -1.955 1.00 0.00 C ATOM 1024 CD1 ILE A 66 -6.433 4.233 -1.161 1.00 0.00 C ATOM 0 H ILE A 66 -3.895 1.724 -1.717 1.00 0.00 H new ATOM 0 HA ILE A 66 -5.695 0.253 -0.468 1.00 0.00 H new ATOM 0 HB ILE A 66 -6.091 2.209 -2.750 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -6.935 2.594 0.110 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.232 2.701 -0.288 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -8.480 2.314 -2.159 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.025 0.708 -2.778 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -8.257 0.955 -1.031 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -6.280 4.912 -0.322 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -5.716 4.463 -1.949 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -7.446 4.354 -1.545 1.00 0.00 H new ATOM 1036 N GLU A 67 -5.831 -0.584 -3.673 1.00 0.00 N ATOM 1037 CA GLU A 67 -6.272 -1.622 -4.596 1.00 0.00 C ATOM 1038 C GLU A 67 -5.760 -2.992 -4.159 1.00 0.00 C ATOM 1039 O GLU A 67 -6.511 -3.968 -4.135 1.00 0.00 O ATOM 1040 CB GLU A 67 -5.786 -1.313 -6.015 1.00 0.00 C ATOM 1041 CG GLU A 67 -6.494 -0.131 -6.657 1.00 0.00 C ATOM 1042 CD GLU A 67 -7.807 -0.521 -7.306 1.00 0.00 C ATOM 1043 OE1 GLU A 67 -8.840 -0.521 -6.603 1.00 0.00 O ATOM 1044 OE2 GLU A 67 -7.803 -0.826 -8.517 1.00 0.00 O ATOM 0 H GLU A 67 -5.295 0.167 -4.108 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.362 -1.641 -4.588 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -4.715 -1.113 -5.988 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.930 -2.195 -6.639 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.679 0.632 -5.900 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.841 0.316 -7.407 1.00 0.00 H new ATOM 1051 N PHE A 68 -4.479 -3.057 -3.815 1.00 0.00 N ATOM 1052 CA PHE A 68 -3.867 -4.307 -3.381 1.00 0.00 C ATOM 1053 C PHE A 68 -4.659 -4.930 -2.235 1.00 0.00 C ATOM 1054 O PHE A 68 -4.697 -6.153 -2.086 1.00 0.00 O ATOM 1055 CB PHE A 68 -2.420 -4.065 -2.944 1.00 0.00 C ATOM 1056 CG PHE A 68 -1.803 -5.240 -2.240 1.00 0.00 C ATOM 1057 CD1 PHE A 68 -1.294 -6.308 -2.962 1.00 0.00 C ATOM 1058 CD2 PHE A 68 -1.731 -5.276 -0.857 1.00 0.00 C ATOM 1059 CE1 PHE A 68 -0.726 -7.391 -2.318 1.00 0.00 C ATOM 1060 CE2 PHE A 68 -1.162 -6.356 -0.207 1.00 0.00 C ATOM 1061 CZ PHE A 68 -0.661 -7.415 -0.938 1.00 0.00 C ATOM 0 H PHE A 68 -3.844 -2.259 -3.828 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.874 -4.999 -4.223 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.820 -3.820 -3.821 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -2.388 -3.198 -2.284 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.342 -6.294 -4.041 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.124 -4.452 -0.280 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.334 -8.217 -2.892 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -1.110 -6.371 0.872 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.219 -8.261 -0.432 1.00 0.00 H new ATOM 1071 N CYS A 69 -5.287 -4.083 -1.428 1.00 0.00 N ATOM 1072 CA CYS A 69 -6.077 -4.550 -0.294 1.00 0.00 C ATOM 1073 C CYS A 69 -7.419 -5.107 -0.759 1.00 0.00 C ATOM 1074 O CYS A 69 -8.011 -5.959 -0.097 1.00 0.00 O ATOM 1075 CB CYS A 69 -6.303 -3.411 0.701 1.00 0.00 C ATOM 1076 SG CYS A 69 -4.899 -3.101 1.797 1.00 0.00 S ATOM 0 H CYS A 69 -5.265 -3.069 -1.537 1.00 0.00 H new ATOM 0 HA CYS A 69 -5.522 -5.349 0.198 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -6.527 -2.499 0.148 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -7.180 -3.640 1.307 1.00 0.00 H new ATOM 0 HG CYS A 69 -5.184 -2.119 2.600 1.00 0.00 H new ATOM 1082 N GLU A 70 -7.893 -4.619 -1.902 1.00 0.00 N ATOM 1083 CA GLU A 70 -9.166 -5.067 -2.453 1.00 0.00 C ATOM 1084 C GLU A 70 -9.107 -6.546 -2.828 1.00 0.00 C ATOM 1085 O GLU A 70 -9.840 -7.366 -2.278 1.00 0.00 O ATOM 1086 CB GLU A 70 -9.538 -4.233 -3.680 1.00 0.00 C ATOM 1087 CG GLU A 70 -9.814 -2.774 -3.363 1.00 0.00 C ATOM 1088 CD GLU A 70 -10.551 -2.063 -4.481 1.00 0.00 C ATOM 1089 OE1 GLU A 70 -11.218 -2.751 -5.283 1.00 0.00 O ATOM 1090 OE2 GLU A 70 -10.462 -0.820 -4.556 1.00 0.00 O ATOM 0 H GLU A 70 -7.415 -3.914 -2.463 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.930 -4.934 -1.687 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.728 -4.291 -4.407 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -10.420 -4.667 -4.150 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -10.402 -2.710 -2.447 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -8.870 -2.263 -3.172 1.00 0.00 H new ATOM 1097 N GLU A 71 -8.226 -6.876 -3.768 1.00 0.00 N ATOM 1098 CA GLU A 71 -8.071 -8.255 -4.218 1.00 0.00 C ATOM 1099 C GLU A 71 -8.177 -9.225 -3.044 1.00 0.00 C ATOM 1100 O GLU A 71 -8.565 -10.382 -3.213 1.00 0.00 O ATOM 1101 CB GLU A 71 -6.726 -8.437 -4.924 1.00 0.00 C ATOM 1102 CG GLU A 71 -5.561 -8.643 -3.971 1.00 0.00 C ATOM 1103 CD GLU A 71 -4.225 -8.696 -4.685 1.00 0.00 C ATOM 1104 OE1 GLU A 71 -3.656 -7.619 -4.959 1.00 0.00 O ATOM 1105 OE2 GLU A 71 -3.749 -9.815 -4.970 1.00 0.00 O ATOM 0 H GLU A 71 -7.610 -6.209 -4.232 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.874 -8.473 -4.922 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -6.791 -9.293 -5.596 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -6.528 -7.561 -5.542 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -5.546 -7.834 -3.241 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -5.709 -9.570 -3.417 1.00 0.00 H new ATOM 1112 N VAL A 72 -7.829 -8.746 -1.854 1.00 0.00 N ATOM 1113 CA VAL A 72 -7.886 -9.569 -0.652 1.00 0.00 C ATOM 1114 C VAL A 72 -9.044 -9.151 0.246 1.00 0.00 C ATOM 1115 O VAL A 72 -9.153 -7.998 0.664 1.00 0.00 O ATOM 1116 CB VAL A 72 -6.572 -9.483 0.148 1.00 0.00 C ATOM 1117 CG1 VAL A 72 -6.560 -10.514 1.267 1.00 0.00 C ATOM 1118 CG2 VAL A 72 -5.375 -9.669 -0.771 1.00 0.00 C ATOM 0 H VAL A 72 -7.505 -7.792 -1.697 1.00 0.00 H new ATOM 0 HA VAL A 72 -8.038 -10.598 -0.979 1.00 0.00 H new ATOM 0 HB VAL A 72 -6.505 -8.492 0.597 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -5.624 -10.439 1.821 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -7.397 -10.330 1.941 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -6.650 -11.514 0.842 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.456 -9.605 -0.189 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -5.433 -10.646 -1.251 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.377 -8.890 -1.533 1.00 0.00 H new ATOM 1128 N PRO A 73 -9.930 -10.110 0.554 1.00 0.00 N ATOM 1129 CA PRO A 73 -11.097 -9.866 1.408 1.00 0.00 C ATOM 1130 C PRO A 73 -10.709 -9.621 2.862 1.00 0.00 C ATOM 1131 O PRO A 73 -11.481 -9.050 3.632 1.00 0.00 O ATOM 1132 CB PRO A 73 -11.906 -11.158 1.280 1.00 0.00 C ATOM 1133 CG PRO A 73 -10.903 -12.201 0.925 1.00 0.00 C ATOM 1134 CD PRO A 73 -9.862 -11.506 0.092 1.00 0.00 C ATOM 0 HA PRO A 73 -11.644 -8.973 1.106 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -12.415 -11.400 2.213 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -12.674 -11.070 0.511 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -10.460 -12.637 1.820 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -11.367 -13.016 0.370 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -8.871 -11.933 0.249 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -10.080 -11.588 -0.973 1.00 0.00 H new ATOM 1142 N ALA A 74 -9.509 -10.057 3.232 1.00 0.00 N ATOM 1143 CA ALA A 74 -9.019 -9.883 4.593 1.00 0.00 C ATOM 1144 C ALA A 74 -8.451 -8.484 4.798 1.00 0.00 C ATOM 1145 O ALA A 74 -8.328 -8.010 5.928 1.00 0.00 O ATOM 1146 CB ALA A 74 -7.967 -10.934 4.914 1.00 0.00 C ATOM 0 H ALA A 74 -8.858 -10.533 2.607 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.861 -10.008 5.274 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -7.610 -10.792 5.934 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -8.404 -11.928 4.818 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.132 -10.837 4.220 1.00 0.00 H new ATOM 1152 N LEU A 75 -8.104 -7.825 3.697 1.00 0.00 N ATOM 1153 CA LEU A 75 -7.547 -6.478 3.755 1.00 0.00 C ATOM 1154 C LEU A 75 -8.577 -5.443 3.316 1.00 0.00 C ATOM 1155 O LEU A 75 -8.436 -4.253 3.598 1.00 0.00 O ATOM 1156 CB LEU A 75 -6.302 -6.380 2.872 1.00 0.00 C ATOM 1157 CG LEU A 75 -5.153 -7.325 3.225 1.00 0.00 C ATOM 1158 CD1 LEU A 75 -4.026 -7.198 2.212 1.00 0.00 C ATOM 1159 CD2 LEU A 75 -4.642 -7.042 4.631 1.00 0.00 C ATOM 0 H LEU A 75 -8.199 -8.202 2.754 1.00 0.00 H new ATOM 0 HA LEU A 75 -7.269 -6.272 4.789 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.597 -6.569 1.840 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.930 -5.356 2.915 1.00 0.00 H new ATOM 0 HG LEU A 75 -5.528 -8.348 3.195 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.218 -7.878 2.480 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.399 -7.451 1.219 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.653 -6.174 2.209 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.825 -7.724 4.865 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.285 -6.014 4.688 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.451 -7.185 5.348 1.00 0.00 H new ATOM 1171 N ARG A 76 -9.615 -5.905 2.626 1.00 0.00 N ATOM 1172 CA ARG A 76 -10.671 -5.019 2.148 1.00 0.00 C ATOM 1173 C ARG A 76 -11.210 -4.154 3.285 1.00 0.00 C ATOM 1174 O ARG A 76 -11.732 -3.064 3.056 1.00 0.00 O ATOM 1175 CB ARG A 76 -11.808 -5.834 1.529 1.00 0.00 C ATOM 1176 CG ARG A 76 -11.636 -6.084 0.040 1.00 0.00 C ATOM 1177 CD ARG A 76 -12.819 -6.844 -0.537 1.00 0.00 C ATOM 1178 NE ARG A 76 -12.519 -7.411 -1.849 1.00 0.00 N ATOM 1179 CZ ARG A 76 -13.367 -8.171 -2.533 1.00 0.00 C ATOM 1180 NH1 ARG A 76 -14.562 -8.453 -2.032 1.00 0.00 N ATOM 1181 NH2 ARG A 76 -13.020 -8.651 -3.720 1.00 0.00 N ATOM 0 H ARG A 76 -9.748 -6.887 2.385 1.00 0.00 H new ATOM 0 HA ARG A 76 -10.246 -4.365 1.387 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -11.879 -6.792 2.044 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -12.750 -5.312 1.695 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -11.525 -5.132 -0.479 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -10.720 -6.649 -0.132 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -13.104 -7.644 0.147 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -13.675 -6.174 -0.619 1.00 0.00 H new ATOM 0 HE ARG A 76 -11.608 -7.212 -2.263 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -14.832 -8.086 -1.119 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -15.211 -9.037 -2.559 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -12.101 -8.437 -4.108 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -13.672 -9.235 -4.245 1.00 0.00 H new ATOM 1195 N LYS A 77 -11.080 -4.650 4.511 1.00 0.00 N ATOM 1196 CA LYS A 77 -11.553 -3.925 5.683 1.00 0.00 C ATOM 1197 C LYS A 77 -10.790 -2.615 5.858 1.00 0.00 C ATOM 1198 O LYS A 77 -11.355 -1.609 6.288 1.00 0.00 O ATOM 1199 CB LYS A 77 -11.401 -4.787 6.939 1.00 0.00 C ATOM 1200 CG LYS A 77 -12.062 -4.193 8.170 1.00 0.00 C ATOM 1201 CD LYS A 77 -12.255 -5.236 9.259 1.00 0.00 C ATOM 1202 CE LYS A 77 -11.007 -5.383 10.115 1.00 0.00 C ATOM 1203 NZ LYS A 77 -10.058 -6.381 9.547 1.00 0.00 N ATOM 0 H LYS A 77 -10.651 -5.552 4.718 1.00 0.00 H new ATOM 0 HA LYS A 77 -12.608 -3.694 5.534 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.828 -5.771 6.747 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -10.340 -4.934 7.142 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -11.452 -3.375 8.553 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -13.028 -3.769 7.896 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -13.099 -4.954 9.889 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -12.502 -6.196 8.806 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -10.510 -4.417 10.201 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -11.292 -5.685 11.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -9.463 -6.767 10.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -10.593 -7.153 9.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -9.455 -5.921 8.836 1.00 0.00 H new ATOM 1217 N ARG A 78 -9.506 -2.636 5.520 1.00 0.00 N ATOM 1218 CA ARG A 78 -8.666 -1.450 5.640 1.00 0.00 C ATOM 1219 C ARG A 78 -8.865 -0.520 4.446 1.00 0.00 C ATOM 1220 O ARG A 78 -9.009 0.692 4.609 1.00 0.00 O ATOM 1221 CB ARG A 78 -7.193 -1.850 5.746 1.00 0.00 C ATOM 1222 CG ARG A 78 -6.852 -2.579 7.035 1.00 0.00 C ATOM 1223 CD ARG A 78 -6.538 -1.605 8.160 1.00 0.00 C ATOM 1224 NE ARG A 78 -6.156 -2.294 9.389 1.00 0.00 N ATOM 1225 CZ ARG A 78 -5.643 -1.677 10.448 1.00 0.00 C ATOM 1226 NH1 ARG A 78 -5.454 -0.365 10.428 1.00 0.00 N ATOM 1227 NH2 ARG A 78 -5.319 -2.373 11.531 1.00 0.00 N ATOM 0 H ARG A 78 -9.024 -3.460 5.161 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.958 -0.920 6.546 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.936 -2.487 4.899 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -6.576 -0.955 5.670 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -7.688 -3.216 7.326 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.996 -3.233 6.869 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.731 -0.942 7.850 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -7.409 -0.979 8.351 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.290 -3.304 9.437 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -5.703 0.173 9.598 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -5.060 0.106 11.242 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -5.464 -3.382 11.551 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -4.925 -1.898 12.343 1.00 0.00 H new ATOM 1241 N ALA A 79 -8.874 -1.095 3.249 1.00 0.00 N ATOM 1242 CA ALA A 79 -9.058 -0.319 2.029 1.00 0.00 C ATOM 1243 C ALA A 79 -10.187 0.694 2.188 1.00 0.00 C ATOM 1244 O ALA A 79 -10.055 1.851 1.791 1.00 0.00 O ATOM 1245 CB ALA A 79 -9.336 -1.242 0.852 1.00 0.00 C ATOM 0 H ALA A 79 -8.756 -2.097 3.097 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.137 0.230 1.835 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.471 -0.648 -0.052 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.495 -1.923 0.717 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.241 -1.818 1.047 1.00 0.00 H new ATOM 1251 N GLU A 80 -11.297 0.250 2.771 1.00 0.00 N ATOM 1252 CA GLU A 80 -12.449 1.118 2.980 1.00 0.00 C ATOM 1253 C GLU A 80 -12.106 2.254 3.939 1.00 0.00 C ATOM 1254 O GLU A 80 -12.618 3.367 3.806 1.00 0.00 O ATOM 1255 CB GLU A 80 -13.630 0.313 3.526 1.00 0.00 C ATOM 1256 CG GLU A 80 -13.270 -0.568 4.711 1.00 0.00 C ATOM 1257 CD GLU A 80 -14.490 -1.155 5.393 1.00 0.00 C ATOM 1258 OE1 GLU A 80 -15.422 -1.581 4.680 1.00 0.00 O ATOM 1259 OE2 GLU A 80 -14.511 -1.189 6.642 1.00 0.00 O ATOM 0 H GLU A 80 -11.422 -0.705 3.106 1.00 0.00 H new ATOM 0 HA GLU A 80 -12.727 1.549 2.018 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -14.422 1.001 3.823 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -14.033 -0.312 2.729 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -12.622 -1.377 4.374 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -12.700 0.016 5.434 1.00 0.00 H new ATOM 1266 N ILE A 81 -11.240 1.966 4.904 1.00 0.00 N ATOM 1267 CA ILE A 81 -10.830 2.962 5.885 1.00 0.00 C ATOM 1268 C ILE A 81 -9.898 3.997 5.260 1.00 0.00 C ATOM 1269 O ILE A 81 -10.006 5.192 5.537 1.00 0.00 O ATOM 1270 CB ILE A 81 -10.122 2.311 7.087 1.00 0.00 C ATOM 1271 CG1 ILE A 81 -11.084 1.383 7.831 1.00 0.00 C ATOM 1272 CG2 ILE A 81 -9.576 3.379 8.023 1.00 0.00 C ATOM 1273 CD1 ILE A 81 -10.461 0.701 9.029 1.00 0.00 C ATOM 0 H ILE A 81 -10.808 1.050 5.027 1.00 0.00 H new ATOM 0 HA ILE A 81 -11.738 3.455 6.232 1.00 0.00 H new ATOM 0 HB ILE A 81 -9.285 1.717 6.719 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -11.949 1.958 8.160 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -11.450 0.623 7.140 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -9.078 2.903 8.868 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -8.862 4.003 7.486 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -10.396 3.998 8.387 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -11.201 0.059 9.508 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -9.613 0.098 8.704 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -10.120 1.454 9.740 1.00 0.00 H new ATOM 1285 N LEU A 82 -8.985 3.529 4.416 1.00 0.00 N ATOM 1286 CA LEU A 82 -8.035 4.413 3.751 1.00 0.00 C ATOM 1287 C LEU A 82 -8.741 5.305 2.734 1.00 0.00 C ATOM 1288 O LEU A 82 -8.646 6.530 2.795 1.00 0.00 O ATOM 1289 CB LEU A 82 -6.945 3.594 3.057 1.00 0.00 C ATOM 1290 CG LEU A 82 -6.237 2.551 3.923 1.00 0.00 C ATOM 1291 CD1 LEU A 82 -5.539 1.519 3.051 1.00 0.00 C ATOM 1292 CD2 LEU A 82 -5.241 3.221 4.858 1.00 0.00 C ATOM 0 H LEU A 82 -8.883 2.543 4.176 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.577 5.049 4.509 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.389 3.086 2.201 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -6.195 4.282 2.665 1.00 0.00 H new ATOM 0 HG LEU A 82 -6.986 2.040 4.528 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -5.041 0.785 3.684 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -6.274 1.017 2.423 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.801 2.015 2.420 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.747 2.464 5.466 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.496 3.758 4.271 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.766 3.922 5.507 1.00 0.00 H new ATOM 1304 N LYS A 83 -9.452 4.680 1.801 1.00 0.00 N ATOM 1305 CA LYS A 83 -10.178 5.416 0.772 1.00 0.00 C ATOM 1306 C LYS A 83 -11.017 6.530 1.389 1.00 0.00 C ATOM 1307 O LYS A 83 -10.981 7.673 0.935 1.00 0.00 O ATOM 1308 CB LYS A 83 -11.077 4.466 -0.024 1.00 0.00 C ATOM 1309 CG LYS A 83 -10.338 3.276 -0.609 1.00 0.00 C ATOM 1310 CD LYS A 83 -11.238 2.056 -0.714 1.00 0.00 C ATOM 1311 CE LYS A 83 -12.258 2.210 -1.832 1.00 0.00 C ATOM 1312 NZ LYS A 83 -13.518 2.841 -1.350 1.00 0.00 N ATOM 0 H LYS A 83 -9.541 3.666 1.736 1.00 0.00 H new ATOM 0 HA LYS A 83 -9.448 5.866 0.099 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -11.874 4.104 0.625 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -11.552 5.021 -0.833 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -9.956 3.534 -1.597 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -9.475 3.040 0.014 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -10.631 1.169 -0.894 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -11.755 1.902 0.233 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -11.832 2.815 -2.632 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -12.481 1.232 -2.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -14.289 2.629 -2.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -13.758 2.464 -0.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -13.389 3.871 -1.287 1.00 0.00 H new ATOM 1326 N LYS A 84 -11.772 6.189 2.429 1.00 0.00 N ATOM 1327 CA LYS A 84 -12.618 7.161 3.111 1.00 0.00 C ATOM 1328 C LYS A 84 -11.904 8.501 3.251 1.00 0.00 C ATOM 1329 O LYS A 84 -12.496 9.556 3.024 1.00 0.00 O ATOM 1330 CB LYS A 84 -13.019 6.637 4.492 1.00 0.00 C ATOM 1331 CG LYS A 84 -14.287 7.271 5.038 1.00 0.00 C ATOM 1332 CD LYS A 84 -15.527 6.523 4.579 1.00 0.00 C ATOM 1333 CE LYS A 84 -15.934 6.928 3.170 1.00 0.00 C ATOM 1334 NZ LYS A 84 -17.396 6.758 2.944 1.00 0.00 N ATOM 0 H LYS A 84 -11.815 5.247 2.817 1.00 0.00 H new ATOM 0 HA LYS A 84 -13.515 7.310 2.510 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -13.158 5.557 4.436 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -12.202 6.817 5.191 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -14.250 7.281 6.127 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -14.346 8.309 4.711 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -15.338 5.450 4.610 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -16.349 6.722 5.267 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -15.659 7.968 2.997 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -15.383 6.328 2.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -17.633 7.045 1.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -17.655 5.761 3.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -17.923 7.350 3.618 1.00 0.00 H new ATOM 1348 N GLU A 85 -10.630 8.451 3.626 1.00 0.00 N ATOM 1349 CA GLU A 85 -9.835 9.663 3.795 1.00 0.00 C ATOM 1350 C GLU A 85 -9.388 10.213 2.444 1.00 0.00 C ATOM 1351 O GLU A 85 -9.504 11.411 2.181 1.00 0.00 O ATOM 1352 CB GLU A 85 -8.614 9.380 4.672 1.00 0.00 C ATOM 1353 CG GLU A 85 -8.967 8.909 6.073 1.00 0.00 C ATOM 1354 CD GLU A 85 -9.904 9.860 6.790 1.00 0.00 C ATOM 1355 OE1 GLU A 85 -11.111 9.862 6.467 1.00 0.00 O ATOM 1356 OE2 GLU A 85 -9.431 10.604 7.675 1.00 0.00 O ATOM 0 H GLU A 85 -10.126 7.585 3.819 1.00 0.00 H new ATOM 0 HA GLU A 85 -10.459 10.411 4.284 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -7.997 8.623 4.188 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -8.011 10.285 4.743 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -9.430 7.924 6.015 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -8.053 8.798 6.656 1.00 0.00 H new