USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 407 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 56 ASN : amide:sc= -1.88 K(o=-1.9,f=-6.3!) USER MOD Set 1.2: A 57 THR OG1 : rot 180:sc= 0.0175 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot -39:sc= 0.403 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.274 K(o=-0.27,f=-3.3!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= -0.216 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 165:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -2.27! C(o=-2.3!,f=-17!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -1.89 K(o=-1.9,f=-5.8!) USER MOD Single : A 59 ASN : amide:sc= -0.985 K(o=-0.98,f=-4.1!) USER MOD ----------------------------------------------------------------- ATOM 95 N LYS A 7 -6.158 -0.676 3.615 1.00 0.00 N ATOM 96 CA LYS A 7 -5.186 -1.707 3.141 1.00 0.00 C ATOM 97 C LYS A 7 -5.269 -1.850 1.618 1.00 0.00 C ATOM 98 O LYS A 7 -6.327 -2.087 1.067 1.00 0.00 O ATOM 99 CB LYS A 7 -5.617 -3.003 3.826 1.00 0.00 C ATOM 100 CG LYS A 7 -5.496 -2.845 5.343 1.00 0.00 C ATOM 101 CD LYS A 7 -5.786 -4.185 6.021 1.00 0.00 C ATOM 102 CE LYS A 7 -7.298 -4.419 6.064 1.00 0.00 C ATOM 103 NZ LYS A 7 -7.743 -3.821 7.352 1.00 0.00 N ATOM 0 HA LYS A 7 -4.155 -1.444 3.380 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -6.645 -3.245 3.556 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.995 -3.831 3.485 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.495 -2.502 5.605 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.195 -2.087 5.697 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.298 -4.993 5.477 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.378 -4.189 7.032 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -7.795 -3.946 5.217 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.534 -5.482 6.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -8.771 -3.942 7.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -7.259 -4.295 8.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -7.511 -2.807 7.363 1.00 0.00 H new ATOM 117 N VAL A 8 -4.153 -1.746 0.943 1.00 0.00 N ATOM 118 CA VAL A 8 -4.150 -1.919 -0.541 1.00 0.00 C ATOM 119 C VAL A 8 -3.221 -3.070 -0.940 1.00 0.00 C ATOM 120 O VAL A 8 -2.306 -3.419 -0.216 1.00 0.00 O ATOM 121 CB VAL A 8 -3.637 -0.587 -1.103 1.00 0.00 C ATOM 122 CG1 VAL A 8 -4.596 0.537 -0.703 1.00 0.00 C ATOM 123 CG2 VAL A 8 -2.242 -0.284 -0.543 1.00 0.00 C ATOM 0 H VAL A 8 -3.242 -1.548 1.356 1.00 0.00 H new ATOM 0 HA VAL A 8 -5.139 -2.164 -0.927 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.581 -0.657 -2.189 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.233 1.484 -1.102 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -5.587 0.330 -1.106 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -4.652 0.598 0.384 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.886 0.663 -0.947 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.293 -0.219 0.544 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.555 -1.081 -0.827 1.00 0.00 H new ATOM 133 N ARG A 9 -3.434 -3.642 -2.098 1.00 0.00 N ATOM 134 CA ARG A 9 -2.550 -4.751 -2.566 1.00 0.00 C ATOM 135 C ARG A 9 -1.268 -4.181 -3.182 1.00 0.00 C ATOM 136 O ARG A 9 -1.248 -3.067 -3.670 1.00 0.00 O ATOM 137 CB ARG A 9 -3.368 -5.492 -3.624 1.00 0.00 C ATOM 138 CG ARG A 9 -4.181 -6.603 -2.954 1.00 0.00 C ATOM 139 CD ARG A 9 -4.533 -7.674 -3.990 1.00 0.00 C ATOM 140 NE ARG A 9 -5.822 -8.261 -3.513 1.00 0.00 N ATOM 141 CZ ARG A 9 -5.861 -9.099 -2.496 1.00 0.00 C ATOM 142 NH1 ARG A 9 -4.777 -9.421 -1.827 1.00 0.00 N ATOM 143 NH2 ARG A 9 -7.004 -9.621 -2.143 1.00 0.00 N ATOM 0 H ARG A 9 -4.184 -3.388 -2.741 1.00 0.00 H new ATOM 0 HA ARG A 9 -2.247 -5.409 -1.751 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -4.034 -4.798 -4.136 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.707 -5.916 -4.380 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -3.609 -7.045 -2.138 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -5.091 -6.190 -2.518 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -4.640 -7.241 -4.985 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -3.753 -8.433 -4.055 1.00 0.00 H new ATOM 0 HE ARG A 9 -6.690 -8.008 -3.984 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -3.877 -9.020 -2.091 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -4.835 -10.072 -1.044 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -7.854 -9.379 -2.652 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -7.047 -10.271 -1.358 1.00 0.00 H new ATOM 157 N ILE A 10 -0.210 -4.951 -3.186 1.00 0.00 N ATOM 158 CA ILE A 10 1.068 -4.475 -3.796 1.00 0.00 C ATOM 159 C ILE A 10 1.186 -4.991 -5.234 1.00 0.00 C ATOM 160 O ILE A 10 1.260 -6.182 -5.470 1.00 0.00 O ATOM 161 CB ILE A 10 2.178 -5.065 -2.916 1.00 0.00 C ATOM 162 CG1 ILE A 10 2.009 -4.585 -1.464 1.00 0.00 C ATOM 163 CG2 ILE A 10 3.548 -4.627 -3.446 1.00 0.00 C ATOM 164 CD1 ILE A 10 2.085 -3.053 -1.395 1.00 0.00 C ATOM 0 H ILE A 10 -0.176 -5.891 -2.792 1.00 0.00 H new ATOM 0 HA ILE A 10 1.126 -3.387 -3.841 1.00 0.00 H new ATOM 0 HB ILE A 10 2.111 -6.153 -2.943 1.00 0.00 H new ATOM 0 HG12 ILE A 10 1.051 -4.926 -1.071 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.786 -5.023 -0.837 1.00 0.00 H new ATOM 0 HG21 ILE A 10 4.333 -5.048 -2.818 1.00 0.00 H new ATOM 0 HG22 ILE A 10 3.673 -4.981 -4.469 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.614 -3.539 -3.428 1.00 0.00 H new ATOM 0 HD11 ILE A 10 1.964 -2.729 -0.361 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.053 -2.720 -1.769 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.292 -2.621 -2.006 1.00 0.00 H new ATOM 176 N LEU A 11 1.272 -4.097 -6.187 1.00 0.00 N ATOM 177 CA LEU A 11 1.465 -4.523 -7.606 1.00 0.00 C ATOM 178 C LEU A 11 2.934 -4.372 -8.006 1.00 0.00 C ATOM 179 O LEU A 11 3.247 -4.001 -9.121 1.00 0.00 O ATOM 180 CB LEU A 11 0.584 -3.574 -8.428 1.00 0.00 C ATOM 181 CG LEU A 11 -0.862 -4.094 -8.486 1.00 0.00 C ATOM 182 CD1 LEU A 11 -0.899 -5.469 -9.158 1.00 0.00 C ATOM 183 CD2 LEU A 11 -1.435 -4.204 -7.068 1.00 0.00 C ATOM 0 H LEU A 11 1.217 -3.089 -6.043 1.00 0.00 H new ATOM 0 HA LEU A 11 1.198 -5.568 -7.765 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.601 -2.578 -7.985 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.984 -3.481 -9.438 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.463 -3.394 -9.066 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.927 -5.829 -9.194 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.507 -5.389 -10.172 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.290 -6.170 -8.587 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.459 -4.573 -7.117 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.828 -4.895 -6.483 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.425 -3.222 -6.594 1.00 0.00 H new ATOM 195 N ARG A 12 3.835 -4.681 -7.108 1.00 0.00 N ATOM 196 CA ARG A 12 5.289 -4.584 -7.434 1.00 0.00 C ATOM 197 C ARG A 12 5.932 -5.981 -7.412 1.00 0.00 C ATOM 198 O ARG A 12 6.434 -6.407 -6.391 1.00 0.00 O ATOM 199 CB ARG A 12 5.883 -3.704 -6.333 1.00 0.00 C ATOM 200 CG ARG A 12 7.089 -2.939 -6.884 1.00 0.00 C ATOM 201 CD ARG A 12 7.161 -1.558 -6.228 1.00 0.00 C ATOM 202 NE ARG A 12 8.442 -0.964 -6.722 1.00 0.00 N ATOM 203 CZ ARG A 12 9.605 -1.318 -6.213 1.00 0.00 C ATOM 204 NH1 ARG A 12 9.698 -2.239 -5.282 1.00 0.00 N ATOM 205 NH2 ARG A 12 10.692 -0.739 -6.647 1.00 0.00 N ATOM 0 H ARG A 12 3.625 -4.997 -6.161 1.00 0.00 H new ATOM 0 HA ARG A 12 5.463 -4.169 -8.427 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.132 -3.004 -5.967 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.186 -4.319 -5.485 1.00 0.00 H new ATOM 0 HG2 ARG A 12 8.006 -3.495 -6.688 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.004 -2.835 -7.966 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.306 -0.942 -6.508 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.155 -1.636 -5.141 1.00 0.00 H new ATOM 0 HE ARG A 12 8.415 -0.270 -7.469 1.00 0.00 H new ATOM 0 HH11 ARG A 12 8.857 -2.700 -4.935 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.611 -2.493 -4.906 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.634 -0.023 -7.371 1.00 0.00 H new ATOM 0 HH22 ARG A 12 11.599 -1.003 -6.262 1.00 0.00 H new ATOM 219 N PRO A 13 5.900 -6.661 -8.544 1.00 0.00 N ATOM 220 CA PRO A 13 6.495 -8.026 -8.630 1.00 0.00 C ATOM 221 C PRO A 13 7.946 -8.029 -8.128 1.00 0.00 C ATOM 222 O PRO A 13 8.450 -9.038 -7.673 1.00 0.00 O ATOM 223 CB PRO A 13 6.445 -8.345 -10.123 1.00 0.00 C ATOM 224 CG PRO A 13 5.341 -7.495 -10.662 1.00 0.00 C ATOM 225 CD PRO A 13 5.315 -6.241 -9.830 1.00 0.00 C ATOM 0 HA PRO A 13 5.964 -8.754 -8.017 1.00 0.00 H new ATOM 0 HB2 PRO A 13 7.394 -8.115 -10.608 1.00 0.00 H new ATOM 0 HB3 PRO A 13 6.248 -9.403 -10.294 1.00 0.00 H new ATOM 0 HG2 PRO A 13 5.512 -7.259 -11.712 1.00 0.00 H new ATOM 0 HG3 PRO A 13 4.386 -8.018 -10.604 1.00 0.00 H new ATOM 0 HD2 PRO A 13 5.895 -5.442 -10.292 1.00 0.00 H new ATOM 0 HD3 PRO A 13 4.300 -5.865 -9.704 1.00 0.00 H new ATOM 233 N GLU A 14 8.610 -6.903 -8.198 1.00 0.00 N ATOM 234 CA GLU A 14 10.023 -6.828 -7.715 1.00 0.00 C ATOM 235 C GLU A 14 10.058 -6.766 -6.184 1.00 0.00 C ATOM 236 O GLU A 14 11.016 -7.185 -5.562 1.00 0.00 O ATOM 237 CB GLU A 14 10.585 -5.540 -8.316 1.00 0.00 C ATOM 238 CG GLU A 14 11.259 -5.852 -9.653 1.00 0.00 C ATOM 239 CD GLU A 14 11.952 -4.595 -10.183 1.00 0.00 C ATOM 240 OE1 GLU A 14 12.783 -4.057 -9.470 1.00 0.00 O ATOM 241 OE2 GLU A 14 11.640 -4.192 -11.291 1.00 0.00 O ATOM 0 H GLU A 14 8.234 -6.031 -8.569 1.00 0.00 H new ATOM 0 HA GLU A 14 10.604 -7.701 -8.011 1.00 0.00 H new ATOM 0 HB2 GLU A 14 9.785 -4.814 -8.461 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.303 -5.090 -7.631 1.00 0.00 H new ATOM 0 HG2 GLU A 14 11.986 -6.655 -9.527 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.519 -6.202 -10.372 1.00 0.00 H new ATOM 248 N SER A 15 9.023 -6.241 -5.577 1.00 0.00 N ATOM 249 CA SER A 15 8.994 -6.143 -4.085 1.00 0.00 C ATOM 250 C SER A 15 8.756 -7.524 -3.469 1.00 0.00 C ATOM 251 O SER A 15 7.955 -8.300 -3.953 1.00 0.00 O ATOM 252 CB SER A 15 7.828 -5.206 -3.766 1.00 0.00 C ATOM 253 OG SER A 15 6.602 -5.898 -3.958 1.00 0.00 O ATOM 0 H SER A 15 8.197 -5.876 -6.050 1.00 0.00 H new ATOM 0 HA SER A 15 9.935 -5.771 -3.680 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.902 -4.852 -2.738 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.867 -4.327 -4.409 1.00 0.00 H new ATOM 0 HG SER A 15 6.673 -6.476 -4.746 1.00 0.00 H new ATOM 259 N TYR A 16 9.423 -7.817 -2.380 1.00 0.00 N ATOM 260 CA TYR A 16 9.212 -9.132 -1.696 1.00 0.00 C ATOM 261 C TYR A 16 7.751 -9.276 -1.256 1.00 0.00 C ATOM 262 O TYR A 16 7.254 -10.373 -1.087 1.00 0.00 O ATOM 263 CB TYR A 16 10.137 -9.106 -0.478 1.00 0.00 C ATOM 264 CG TYR A 16 10.078 -10.437 0.232 1.00 0.00 C ATOM 265 CD1 TYR A 16 10.685 -11.563 -0.339 1.00 0.00 C ATOM 266 CD2 TYR A 16 9.414 -10.546 1.461 1.00 0.00 C ATOM 267 CE1 TYR A 16 10.628 -12.798 0.320 1.00 0.00 C ATOM 268 CE2 TYR A 16 9.358 -11.781 2.118 1.00 0.00 C ATOM 269 CZ TYR A 16 9.965 -12.907 1.548 1.00 0.00 C ATOM 270 OH TYR A 16 9.909 -14.124 2.196 1.00 0.00 O ATOM 0 H TYR A 16 10.105 -7.203 -1.935 1.00 0.00 H new ATOM 0 HA TYR A 16 9.430 -9.973 -2.354 1.00 0.00 H new ATOM 0 HB2 TYR A 16 11.160 -8.894 -0.790 1.00 0.00 H new ATOM 0 HB3 TYR A 16 9.839 -8.307 0.201 1.00 0.00 H new ATOM 0 HD1 TYR A 16 11.197 -11.479 -1.286 1.00 0.00 H new ATOM 0 HD2 TYR A 16 8.946 -9.678 1.901 1.00 0.00 H new ATOM 0 HE1 TYR A 16 11.096 -13.666 -0.120 1.00 0.00 H new ATOM 0 HE2 TYR A 16 8.846 -11.865 3.065 1.00 0.00 H new ATOM 0 HH TYR A 16 9.413 -14.025 3.035 1.00 0.00 H new ATOM 280 N TRP A 17 7.081 -8.176 -1.017 1.00 0.00 N ATOM 281 CA TRP A 17 5.672 -8.244 -0.524 1.00 0.00 C ATOM 282 C TRP A 17 4.693 -8.110 -1.694 1.00 0.00 C ATOM 283 O TRP A 17 3.629 -7.536 -1.558 1.00 0.00 O ATOM 284 CB TRP A 17 5.528 -7.058 0.432 1.00 0.00 C ATOM 285 CG TRP A 17 6.459 -7.230 1.589 1.00 0.00 C ATOM 286 CD1 TRP A 17 6.325 -8.160 2.563 1.00 0.00 C ATOM 287 CD2 TRP A 17 7.660 -6.471 1.910 1.00 0.00 C ATOM 288 NE1 TRP A 17 7.368 -8.019 3.461 1.00 0.00 N ATOM 289 CE2 TRP A 17 8.218 -6.991 3.102 1.00 0.00 C ATOM 290 CE3 TRP A 17 8.314 -5.392 1.288 1.00 0.00 C ATOM 291 CZ2 TRP A 17 9.381 -6.460 3.657 1.00 0.00 C ATOM 292 CZ3 TRP A 17 9.485 -4.854 1.845 1.00 0.00 C ATOM 293 CH2 TRP A 17 10.018 -5.386 3.027 1.00 0.00 C ATOM 0 H TRP A 17 7.450 -7.233 -1.142 1.00 0.00 H new ATOM 0 HA TRP A 17 5.453 -9.193 -0.034 1.00 0.00 H new ATOM 0 HB2 TRP A 17 5.750 -6.128 -0.091 1.00 0.00 H new ATOM 0 HB3 TRP A 17 4.500 -6.987 0.787 1.00 0.00 H new ATOM 0 HD1 TRP A 17 5.534 -8.892 2.629 1.00 0.00 H new ATOM 0 HE1 TRP A 17 7.494 -8.603 4.288 1.00 0.00 H new ATOM 0 HE3 TRP A 17 7.913 -4.975 0.376 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 9.788 -6.875 4.567 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 9.978 -4.025 1.360 1.00 0.00 H new ATOM 0 HH2 TRP A 17 10.919 -4.967 3.451 1.00 0.00 H new ATOM 304 N PHE A 18 5.020 -8.688 -2.823 1.00 0.00 N ATOM 305 CA PHE A 18 4.081 -8.656 -3.985 1.00 0.00 C ATOM 306 C PHE A 18 2.866 -9.546 -3.708 1.00 0.00 C ATOM 307 O PHE A 18 2.916 -10.440 -2.884 1.00 0.00 O ATOM 308 CB PHE A 18 4.884 -9.200 -5.169 1.00 0.00 C ATOM 309 CG PHE A 18 4.054 -9.106 -6.426 1.00 0.00 C ATOM 310 CD1 PHE A 18 3.629 -7.856 -6.892 1.00 0.00 C ATOM 311 CD2 PHE A 18 3.711 -10.268 -7.128 1.00 0.00 C ATOM 312 CE1 PHE A 18 2.859 -7.769 -8.058 1.00 0.00 C ATOM 313 CE2 PHE A 18 2.942 -10.180 -8.294 1.00 0.00 C ATOM 314 CZ PHE A 18 2.516 -8.931 -8.760 1.00 0.00 C ATOM 0 H PHE A 18 5.897 -9.181 -2.990 1.00 0.00 H new ATOM 0 HA PHE A 18 3.704 -7.652 -4.179 1.00 0.00 H new ATOM 0 HB2 PHE A 18 5.807 -8.633 -5.287 1.00 0.00 H new ATOM 0 HB3 PHE A 18 5.168 -10.236 -4.984 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.895 -6.959 -6.352 1.00 0.00 H new ATOM 0 HD2 PHE A 18 4.040 -11.232 -6.770 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.529 -6.805 -8.416 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.677 -11.077 -8.835 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.923 -8.863 -9.660 1.00 0.00 H new ATOM 324 N GLN A 19 1.772 -9.306 -4.392 1.00 0.00 N ATOM 325 CA GLN A 19 0.536 -10.133 -4.183 1.00 0.00 C ATOM 326 C GLN A 19 0.154 -10.174 -2.698 1.00 0.00 C ATOM 327 O GLN A 19 -0.475 -11.107 -2.237 1.00 0.00 O ATOM 328 CB GLN A 19 0.893 -11.535 -4.685 1.00 0.00 C ATOM 329 CG GLN A 19 0.684 -11.605 -6.199 1.00 0.00 C ATOM 330 CD GLN A 19 -0.795 -11.849 -6.500 1.00 0.00 C ATOM 331 OE1 GLN A 19 -1.656 -11.438 -5.748 1.00 0.00 O ATOM 332 NE2 GLN A 19 -1.130 -12.507 -7.577 1.00 0.00 N ATOM 0 H GLN A 19 1.680 -8.569 -5.091 1.00 0.00 H new ATOM 0 HA GLN A 19 -0.320 -9.718 -4.715 1.00 0.00 H new ATOM 0 HB2 GLN A 19 1.929 -11.768 -4.439 1.00 0.00 H new ATOM 0 HB3 GLN A 19 0.272 -12.280 -4.187 1.00 0.00 H new ATOM 0 HG2 GLN A 19 1.012 -10.676 -6.665 1.00 0.00 H new ATOM 0 HG3 GLN A 19 1.289 -12.406 -6.624 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -0.408 -12.852 -8.209 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -2.114 -12.676 -7.786 1.00 0.00 H new ATOM 341 N ASP A 20 0.517 -9.159 -1.956 1.00 0.00 N ATOM 342 CA ASP A 20 0.162 -9.119 -0.505 1.00 0.00 C ATOM 343 C ASP A 20 -0.789 -7.954 -0.225 1.00 0.00 C ATOM 344 O ASP A 20 -1.280 -7.312 -1.134 1.00 0.00 O ATOM 345 CB ASP A 20 1.493 -8.912 0.221 1.00 0.00 C ATOM 346 CG ASP A 20 1.500 -9.727 1.517 1.00 0.00 C ATOM 347 OD1 ASP A 20 1.158 -10.897 1.458 1.00 0.00 O ATOM 348 OD2 ASP A 20 1.849 -9.169 2.544 1.00 0.00 O ATOM 0 H ASP A 20 1.045 -8.354 -2.293 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.345 -10.027 -0.178 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.320 -9.219 -0.419 1.00 0.00 H new ATOM 0 HB3 ASP A 20 1.638 -7.855 0.443 1.00 0.00 H new ATOM 353 N VAL A 21 -1.007 -7.643 1.028 1.00 0.00 N ATOM 354 CA VAL A 21 -1.874 -6.478 1.378 1.00 0.00 C ATOM 355 C VAL A 21 -1.242 -5.682 2.524 1.00 0.00 C ATOM 356 O VAL A 21 -1.342 -6.055 3.678 1.00 0.00 O ATOM 357 CB VAL A 21 -3.211 -7.089 1.815 1.00 0.00 C ATOM 358 CG1 VAL A 21 -4.190 -5.974 2.191 1.00 0.00 C ATOM 359 CG2 VAL A 21 -3.801 -7.909 0.663 1.00 0.00 C ATOM 0 H VAL A 21 -0.620 -8.148 1.826 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.001 -5.789 0.543 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.044 -7.734 2.678 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.139 -6.412 2.501 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.776 -5.388 3.011 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.353 -5.327 1.329 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.751 -8.343 0.975 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.963 -7.262 -0.199 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.109 -8.707 0.393 1.00 0.00 H new ATOM 369 N GLY A 22 -0.581 -4.596 2.210 1.00 0.00 N ATOM 370 CA GLY A 22 0.075 -3.778 3.270 1.00 0.00 C ATOM 371 C GLY A 22 -0.854 -2.636 3.685 1.00 0.00 C ATOM 372 O GLY A 22 -1.732 -2.240 2.942 1.00 0.00 O ATOM 0 H GLY A 22 -0.468 -4.241 1.260 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.309 -4.402 4.133 1.00 0.00 H new ATOM 0 HA3 GLY A 22 1.019 -3.377 2.902 1.00 0.00 H new ATOM 376 N THR A 23 -0.638 -2.077 4.848 1.00 0.00 N ATOM 377 CA THR A 23 -1.474 -0.924 5.300 1.00 0.00 C ATOM 378 C THR A 23 -0.757 0.396 5.002 1.00 0.00 C ATOM 379 O THR A 23 0.455 0.481 5.069 1.00 0.00 O ATOM 380 CB THR A 23 -1.636 -1.120 6.808 1.00 0.00 C ATOM 381 OG1 THR A 23 -1.965 -2.476 7.075 1.00 0.00 O ATOM 382 CG2 THR A 23 -2.752 -0.210 7.324 1.00 0.00 C ATOM 0 H THR A 23 0.084 -2.370 5.506 1.00 0.00 H new ATOM 0 HA THR A 23 -2.436 -0.884 4.790 1.00 0.00 H new ATOM 0 HB THR A 23 -0.703 -0.867 7.311 1.00 0.00 H new ATOM 0 HG1 THR A 23 -2.067 -2.604 8.041 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.868 -0.350 8.399 1.00 0.00 H new ATOM 0 HG22 THR A 23 -2.498 0.830 7.118 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.687 -0.461 6.823 1.00 0.00 H new ATOM 390 N VAL A 24 -1.501 1.429 4.702 1.00 0.00 N ATOM 391 CA VAL A 24 -0.873 2.757 4.428 1.00 0.00 C ATOM 392 C VAL A 24 -0.523 3.453 5.748 1.00 0.00 C ATOM 393 O VAL A 24 -1.389 3.748 6.551 1.00 0.00 O ATOM 394 CB VAL A 24 -1.934 3.554 3.661 1.00 0.00 C ATOM 395 CG1 VAL A 24 -1.390 4.942 3.316 1.00 0.00 C ATOM 396 CG2 VAL A 24 -2.290 2.818 2.364 1.00 0.00 C ATOM 0 H VAL A 24 -2.519 1.411 4.635 1.00 0.00 H new ATOM 0 HA VAL A 24 0.052 2.668 3.859 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.823 3.655 4.283 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.148 5.505 2.771 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.135 5.472 4.234 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.499 4.840 2.697 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -3.045 3.385 1.819 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -1.397 2.716 1.747 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.682 1.829 2.603 1.00 0.00 H new ATOM 406 N ALA A 25 0.735 3.746 5.958 1.00 0.00 N ATOM 407 CA ALA A 25 1.148 4.459 7.204 1.00 0.00 C ATOM 408 C ALA A 25 1.015 5.973 7.014 1.00 0.00 C ATOM 409 O ALA A 25 0.476 6.665 7.857 1.00 0.00 O ATOM 410 CB ALA A 25 2.610 4.071 7.415 1.00 0.00 C ATOM 0 H ALA A 25 1.496 3.521 5.318 1.00 0.00 H new ATOM 0 HA ALA A 25 0.528 4.191 8.060 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.989 4.556 8.314 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.687 2.989 7.526 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.199 4.390 6.555 1.00 0.00 H new ATOM 416 N SER A 26 1.489 6.484 5.906 1.00 0.00 N ATOM 417 CA SER A 26 1.379 7.950 5.643 1.00 0.00 C ATOM 418 C SER A 26 1.729 8.253 4.184 1.00 0.00 C ATOM 419 O SER A 26 2.230 7.406 3.470 1.00 0.00 O ATOM 420 CB SER A 26 2.394 8.599 6.583 1.00 0.00 C ATOM 421 OG SER A 26 2.475 9.990 6.299 1.00 0.00 O ATOM 0 H SER A 26 1.949 5.947 5.171 1.00 0.00 H new ATOM 0 HA SER A 26 0.370 8.325 5.812 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.097 8.445 7.620 1.00 0.00 H new ATOM 0 HB3 SER A 26 3.372 8.133 6.459 1.00 0.00 H new ATOM 0 HG SER A 26 3.124 10.410 6.902 1.00 0.00 H new ATOM 427 N VAL A 27 1.514 9.472 3.756 1.00 0.00 N ATOM 428 CA VAL A 27 1.884 9.857 2.360 1.00 0.00 C ATOM 429 C VAL A 27 2.719 11.141 2.376 1.00 0.00 C ATOM 430 O VAL A 27 2.270 12.178 2.829 1.00 0.00 O ATOM 431 CB VAL A 27 0.550 10.086 1.640 1.00 0.00 C ATOM 432 CG1 VAL A 27 0.810 10.480 0.183 1.00 0.00 C ATOM 433 CG2 VAL A 27 -0.280 8.799 1.673 1.00 0.00 C ATOM 0 H VAL A 27 1.098 10.218 4.314 1.00 0.00 H new ATOM 0 HA VAL A 27 2.483 9.093 1.863 1.00 0.00 H new ATOM 0 HB VAL A 27 0.006 10.886 2.143 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.141 10.642 -0.325 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.398 11.397 0.154 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.358 9.682 -0.318 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.228 8.964 1.161 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.268 8.000 1.174 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.472 8.516 2.708 1.00 0.00 H new ATOM 509 N LYS A 33 10.453 9.191 -4.825 1.00 0.00 N ATOM 510 CA LYS A 33 9.862 8.596 -6.065 1.00 0.00 C ATOM 511 C LYS A 33 8.521 7.924 -5.747 1.00 0.00 C ATOM 512 O LYS A 33 7.641 7.855 -6.584 1.00 0.00 O ATOM 513 CB LYS A 33 10.887 7.564 -6.552 1.00 0.00 C ATOM 514 CG LYS A 33 11.125 6.504 -5.468 1.00 0.00 C ATOM 515 CD LYS A 33 12.604 6.110 -5.451 1.00 0.00 C ATOM 516 CE LYS A 33 13.430 7.248 -4.847 1.00 0.00 C ATOM 517 NZ LYS A 33 14.846 6.806 -4.979 1.00 0.00 N ATOM 0 HA LYS A 33 9.663 9.351 -6.825 1.00 0.00 H new ATOM 0 HB2 LYS A 33 10.529 7.088 -7.465 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.826 8.061 -6.798 1.00 0.00 H new ATOM 0 HG2 LYS A 33 10.831 6.894 -4.493 1.00 0.00 H new ATOM 0 HG3 LYS A 33 10.507 5.627 -5.661 1.00 0.00 H new ATOM 0 HD2 LYS A 33 12.742 5.199 -4.869 1.00 0.00 H new ATOM 0 HD3 LYS A 33 12.946 5.896 -6.464 1.00 0.00 H new ATOM 0 HE2 LYS A 33 13.258 8.185 -5.376 1.00 0.00 H new ATOM 0 HE3 LYS A 33 13.165 7.418 -3.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 15.475 7.535 -4.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 14.981 5.915 -4.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 15.072 6.659 -5.984 1.00 0.00 H new ATOM 531 N TYR A 34 8.352 7.462 -4.534 1.00 0.00 N ATOM 532 CA TYR A 34 7.056 6.830 -4.143 1.00 0.00 C ATOM 533 C TYR A 34 6.361 7.669 -3.057 1.00 0.00 C ATOM 534 O TYR A 34 6.658 7.521 -1.888 1.00 0.00 O ATOM 535 CB TYR A 34 7.434 5.452 -3.596 1.00 0.00 C ATOM 536 CG TYR A 34 7.831 4.543 -4.737 1.00 0.00 C ATOM 537 CD1 TYR A 34 6.973 4.374 -5.833 1.00 0.00 C ATOM 538 CD2 TYR A 34 9.056 3.866 -4.698 1.00 0.00 C ATOM 539 CE1 TYR A 34 7.343 3.530 -6.887 1.00 0.00 C ATOM 540 CE2 TYR A 34 9.424 3.022 -5.752 1.00 0.00 C ATOM 541 CZ TYR A 34 8.568 2.854 -6.847 1.00 0.00 C ATOM 542 OH TYR A 34 8.933 2.023 -7.887 1.00 0.00 O ATOM 0 H TYR A 34 9.056 7.495 -3.797 1.00 0.00 H new ATOM 0 HA TYR A 34 6.363 6.759 -4.981 1.00 0.00 H new ATOM 0 HB2 TYR A 34 8.258 5.544 -2.888 1.00 0.00 H new ATOM 0 HB3 TYR A 34 6.593 5.023 -3.052 1.00 0.00 H new ATOM 0 HD1 TYR A 34 6.027 4.895 -5.864 1.00 0.00 H new ATOM 0 HD2 TYR A 34 9.717 3.995 -3.854 1.00 0.00 H new ATOM 0 HE1 TYR A 34 6.683 3.400 -7.732 1.00 0.00 H new ATOM 0 HE2 TYR A 34 10.369 2.500 -5.721 1.00 0.00 H new ATOM 0 HH TYR A 34 9.891 1.824 -7.826 1.00 0.00 H new ATOM 552 N PRO A 35 5.453 8.531 -3.473 1.00 0.00 N ATOM 553 CA PRO A 35 4.720 9.396 -2.502 1.00 0.00 C ATOM 554 C PRO A 35 4.078 8.557 -1.388 1.00 0.00 C ATOM 555 O PRO A 35 3.858 9.036 -0.292 1.00 0.00 O ATOM 556 CB PRO A 35 3.644 10.063 -3.356 1.00 0.00 C ATOM 557 CG PRO A 35 4.185 10.035 -4.748 1.00 0.00 C ATOM 558 CD PRO A 35 5.024 8.792 -4.859 1.00 0.00 C ATOM 0 HA PRO A 35 5.374 10.110 -2.001 1.00 0.00 H new ATOM 0 HB2 PRO A 35 2.698 9.526 -3.289 1.00 0.00 H new ATOM 0 HB3 PRO A 35 3.455 11.085 -3.026 1.00 0.00 H new ATOM 0 HG2 PRO A 35 3.376 10.022 -5.478 1.00 0.00 H new ATOM 0 HG3 PRO A 35 4.782 10.924 -4.949 1.00 0.00 H new ATOM 0 HD2 PRO A 35 4.451 7.958 -5.264 1.00 0.00 H new ATOM 0 HD3 PRO A 35 5.877 8.943 -5.520 1.00 0.00 H new ATOM 566 N VAL A 36 3.686 7.346 -1.697 1.00 0.00 N ATOM 567 CA VAL A 36 2.949 6.516 -0.696 1.00 0.00 C ATOM 568 C VAL A 36 3.906 5.523 -0.029 1.00 0.00 C ATOM 569 O VAL A 36 4.717 4.895 -0.684 1.00 0.00 O ATOM 570 CB VAL A 36 1.873 5.776 -1.501 1.00 0.00 C ATOM 571 CG1 VAL A 36 1.041 4.896 -0.564 1.00 0.00 C ATOM 572 CG2 VAL A 36 0.954 6.792 -2.185 1.00 0.00 C ATOM 0 H VAL A 36 3.845 6.897 -2.599 1.00 0.00 H new ATOM 0 HA VAL A 36 2.512 7.119 0.100 1.00 0.00 H new ATOM 0 HB VAL A 36 2.355 5.153 -2.254 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.278 4.372 -1.139 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.690 4.169 -0.076 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.562 5.520 0.191 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.190 6.265 -2.756 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.476 7.416 -1.430 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.541 7.419 -2.856 1.00 0.00 H new ATOM 582 N ILE A 37 3.770 5.331 1.259 1.00 0.00 N ATOM 583 CA ILE A 37 4.618 4.324 1.967 1.00 0.00 C ATOM 584 C ILE A 37 3.731 3.234 2.579 1.00 0.00 C ATOM 585 O ILE A 37 2.795 3.518 3.302 1.00 0.00 O ATOM 586 CB ILE A 37 5.346 5.110 3.064 1.00 0.00 C ATOM 587 CG1 ILE A 37 6.190 6.219 2.426 1.00 0.00 C ATOM 588 CG2 ILE A 37 6.261 4.170 3.852 1.00 0.00 C ATOM 589 CD1 ILE A 37 5.391 7.523 2.406 1.00 0.00 C ATOM 0 H ILE A 37 3.107 5.830 1.852 1.00 0.00 H new ATOM 0 HA ILE A 37 5.320 3.827 1.297 1.00 0.00 H new ATOM 0 HB ILE A 37 4.610 5.550 3.737 1.00 0.00 H new ATOM 0 HG12 ILE A 37 7.114 6.355 2.987 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.472 5.938 1.411 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.777 4.732 4.631 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.665 3.380 4.309 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.994 3.727 3.178 1.00 0.00 H new ATOM 0 HD11 ILE A 37 5.992 8.311 1.952 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.479 7.382 1.826 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.132 7.806 3.426 1.00 0.00 H new ATOM 601 N VAL A 38 4.011 1.991 2.275 1.00 0.00 N ATOM 602 CA VAL A 38 3.176 0.876 2.816 1.00 0.00 C ATOM 603 C VAL A 38 3.917 0.182 3.965 1.00 0.00 C ATOM 604 O VAL A 38 5.127 0.050 3.943 1.00 0.00 O ATOM 605 CB VAL A 38 2.977 -0.087 1.638 1.00 0.00 C ATOM 606 CG1 VAL A 38 2.114 -1.276 2.078 1.00 0.00 C ATOM 607 CG2 VAL A 38 2.275 0.643 0.487 1.00 0.00 C ATOM 0 H VAL A 38 4.783 1.701 1.675 1.00 0.00 H new ATOM 0 HA VAL A 38 2.223 1.225 3.213 1.00 0.00 H new ATOM 0 HB VAL A 38 3.951 -0.446 1.306 1.00 0.00 H new ATOM 0 HG11 VAL A 38 1.976 -1.956 1.238 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.609 -1.803 2.894 1.00 0.00 H new ATOM 0 HG13 VAL A 38 1.143 -0.915 2.416 1.00 0.00 H new ATOM 0 HG21 VAL A 38 2.135 -0.044 -0.348 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.304 1.006 0.825 1.00 0.00 H new ATOM 0 HG23 VAL A 38 2.886 1.486 0.165 1.00 0.00 H new ATOM 617 N ARG A 39 3.195 -0.287 4.950 1.00 0.00 N ATOM 618 CA ARG A 39 3.843 -1.007 6.087 1.00 0.00 C ATOM 619 C ARG A 39 3.490 -2.496 6.040 1.00 0.00 C ATOM 620 O ARG A 39 2.355 -2.879 6.250 1.00 0.00 O ATOM 621 CB ARG A 39 3.268 -0.358 7.346 1.00 0.00 C ATOM 622 CG ARG A 39 3.931 -0.966 8.584 1.00 0.00 C ATOM 623 CD ARG A 39 2.923 -1.009 9.734 1.00 0.00 C ATOM 624 NE ARG A 39 3.701 -1.508 10.909 1.00 0.00 N ATOM 625 CZ ARG A 39 4.530 -0.723 11.568 1.00 0.00 C ATOM 626 NH1 ARG A 39 4.744 0.520 11.196 1.00 0.00 N ATOM 627 NH2 ARG A 39 5.154 -1.189 12.615 1.00 0.00 N ATOM 0 H ARG A 39 2.181 -0.202 5.016 1.00 0.00 H new ATOM 0 HA ARG A 39 4.930 -0.938 6.054 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.437 0.719 7.322 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.190 -0.511 7.386 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.288 -1.972 8.362 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.801 -0.375 8.871 1.00 0.00 H new ATOM 0 HD2 ARG A 39 2.503 -0.022 9.928 1.00 0.00 H new ATOM 0 HD3 ARG A 39 2.088 -1.671 9.503 1.00 0.00 H new ATOM 0 HE ARG A 39 3.588 -2.477 11.207 1.00 0.00 H new ATOM 0 HH11 ARG A 39 4.263 0.898 10.380 1.00 0.00 H new ATOM 0 HH12 ARG A 39 5.391 1.106 11.724 1.00 0.00 H new ATOM 0 HH21 ARG A 39 4.998 -2.151 12.915 1.00 0.00 H new ATOM 0 HH22 ARG A 39 5.798 -0.591 13.133 1.00 0.00 H new ATOM 641 N PHE A 40 4.462 -3.337 5.791 1.00 0.00 N ATOM 642 CA PHE A 40 4.199 -4.807 5.758 1.00 0.00 C ATOM 643 C PHE A 40 4.407 -5.412 7.149 1.00 0.00 C ATOM 644 O PHE A 40 4.957 -4.782 8.033 1.00 0.00 O ATOM 645 CB PHE A 40 5.220 -5.370 4.770 1.00 0.00 C ATOM 646 CG PHE A 40 4.955 -4.809 3.394 1.00 0.00 C ATOM 647 CD1 PHE A 40 3.696 -4.968 2.803 1.00 0.00 C ATOM 648 CD2 PHE A 40 5.968 -4.128 2.710 1.00 0.00 C ATOM 649 CE1 PHE A 40 3.451 -4.447 1.527 1.00 0.00 C ATOM 650 CE2 PHE A 40 5.724 -3.606 1.434 1.00 0.00 C ATOM 651 CZ PHE A 40 4.464 -3.766 0.842 1.00 0.00 C ATOM 0 H PHE A 40 5.429 -3.068 5.609 1.00 0.00 H new ATOM 0 HA PHE A 40 3.176 -5.037 5.461 1.00 0.00 H new ATOM 0 HB2 PHE A 40 6.230 -5.114 5.090 1.00 0.00 H new ATOM 0 HB3 PHE A 40 5.159 -6.458 4.748 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.914 -5.493 3.331 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.939 -4.005 3.167 1.00 0.00 H new ATOM 0 HE1 PHE A 40 2.480 -4.571 1.071 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.506 -3.080 0.906 1.00 0.00 H new ATOM 0 HZ PHE A 40 4.275 -3.364 -0.142 1.00 0.00 H new ATOM 661 N GLU A 41 4.007 -6.645 7.334 1.00 0.00 N ATOM 662 CA GLU A 41 4.218 -7.318 8.650 1.00 0.00 C ATOM 663 C GLU A 41 5.263 -8.430 8.514 1.00 0.00 C ATOM 664 O GLU A 41 5.961 -8.754 9.457 1.00 0.00 O ATOM 665 CB GLU A 41 2.855 -7.906 9.017 1.00 0.00 C ATOM 666 CG GLU A 41 2.037 -6.863 9.780 1.00 0.00 C ATOM 667 CD GLU A 41 2.469 -6.849 11.248 1.00 0.00 C ATOM 668 OE1 GLU A 41 3.663 -6.907 11.494 1.00 0.00 O ATOM 669 OE2 GLU A 41 1.600 -6.779 12.100 1.00 0.00 O ATOM 0 H GLU A 41 3.542 -7.215 6.628 1.00 0.00 H new ATOM 0 HA GLU A 41 4.584 -6.630 9.412 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.324 -8.211 8.115 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.985 -8.799 9.628 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.182 -5.877 9.338 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.974 -7.093 9.705 1.00 0.00 H new ATOM 676 N LYS A 42 5.372 -9.015 7.348 1.00 0.00 N ATOM 677 CA LYS A 42 6.367 -10.110 7.142 1.00 0.00 C ATOM 678 C LYS A 42 7.741 -9.521 6.810 1.00 0.00 C ATOM 679 O LYS A 42 7.876 -8.713 5.909 1.00 0.00 O ATOM 680 CB LYS A 42 5.830 -10.915 5.958 1.00 0.00 C ATOM 681 CG LYS A 42 6.578 -12.246 5.865 1.00 0.00 C ATOM 682 CD LYS A 42 5.812 -13.200 4.947 1.00 0.00 C ATOM 683 CE LYS A 42 6.221 -14.643 5.253 1.00 0.00 C ATOM 684 NZ LYS A 42 5.220 -15.485 4.540 1.00 0.00 N ATOM 0 H LYS A 42 4.813 -8.780 6.528 1.00 0.00 H new ATOM 0 HA LYS A 42 6.492 -10.727 8.032 1.00 0.00 H new ATOM 0 HB2 LYS A 42 4.762 -11.094 6.081 1.00 0.00 H new ATOM 0 HB3 LYS A 42 5.955 -10.350 5.034 1.00 0.00 H new ATOM 0 HG2 LYS A 42 7.584 -12.083 5.479 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.684 -12.686 6.857 1.00 0.00 H new ATOM 0 HD2 LYS A 42 4.739 -13.077 5.091 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.022 -12.965 3.904 1.00 0.00 H new ATOM 0 HE2 LYS A 42 7.232 -14.850 4.903 1.00 0.00 H new ATOM 0 HE3 LYS A 42 6.209 -14.838 6.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.433 -16.490 4.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.268 -15.271 4.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.259 -15.283 3.521 1.00 0.00 H new ATOM 698 N VAL A 43 8.769 -9.988 7.471 1.00 0.00 N ATOM 699 CA VAL A 43 10.154 -9.534 7.130 1.00 0.00 C ATOM 700 C VAL A 43 10.545 -10.029 5.735 1.00 0.00 C ATOM 701 O VAL A 43 9.717 -10.513 4.985 1.00 0.00 O ATOM 702 CB VAL A 43 11.064 -10.149 8.201 1.00 0.00 C ATOM 703 CG1 VAL A 43 10.673 -9.604 9.576 1.00 0.00 C ATOM 704 CG2 VAL A 43 10.920 -11.677 8.201 1.00 0.00 C ATOM 0 H VAL A 43 8.711 -10.664 8.232 1.00 0.00 H new ATOM 0 HA VAL A 43 10.235 -8.447 7.114 1.00 0.00 H new ATOM 0 HB VAL A 43 12.099 -9.887 7.981 1.00 0.00 H new ATOM 0 HG11 VAL A 43 11.319 -10.041 10.338 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.785 -8.520 9.583 1.00 0.00 H new ATOM 0 HG13 VAL A 43 9.636 -9.863 9.788 1.00 0.00 H new ATOM 0 HG21 VAL A 43 11.570 -12.104 8.965 1.00 0.00 H new ATOM 0 HG22 VAL A 43 9.885 -11.945 8.414 1.00 0.00 H new ATOM 0 HG23 VAL A 43 11.202 -12.069 7.224 1.00 0.00 H new ATOM 714 N ASN A 44 11.810 -9.966 5.407 1.00 0.00 N ATOM 715 CA ASN A 44 12.275 -10.494 4.087 1.00 0.00 C ATOM 716 C ASN A 44 13.760 -10.866 4.157 1.00 0.00 C ATOM 717 O ASN A 44 14.310 -11.052 5.226 1.00 0.00 O ATOM 718 CB ASN A 44 12.047 -9.347 3.092 1.00 0.00 C ATOM 719 CG ASN A 44 12.834 -8.104 3.523 1.00 0.00 C ATOM 720 OD1 ASN A 44 13.351 -8.041 4.622 1.00 0.00 O ATOM 721 ND2 ASN A 44 12.949 -7.102 2.694 1.00 0.00 N ATOM 0 H ASN A 44 12.543 -9.571 5.997 1.00 0.00 H new ATOM 0 HA ASN A 44 11.739 -11.396 3.792 1.00 0.00 H new ATOM 0 HB2 ASN A 44 12.359 -9.655 2.094 1.00 0.00 H new ATOM 0 HB3 ASN A 44 10.984 -9.111 3.036 1.00 0.00 H new ATOM 0 HD21 ASN A 44 13.471 -6.270 2.969 1.00 0.00 H new ATOM 0 HD22 ASN A 44 12.517 -7.151 1.771 1.00 0.00 H new ATOM 728 N TYR A 45 14.386 -11.052 3.023 1.00 0.00 N ATOM 729 CA TYR A 45 15.813 -11.501 3.013 1.00 0.00 C ATOM 730 C TYR A 45 16.698 -10.473 3.722 1.00 0.00 C ATOM 731 O TYR A 45 17.723 -10.810 4.286 1.00 0.00 O ATOM 732 CB TYR A 45 16.194 -11.605 1.535 1.00 0.00 C ATOM 733 CG TYR A 45 15.346 -12.664 0.869 1.00 0.00 C ATOM 734 CD1 TYR A 45 15.334 -13.970 1.374 1.00 0.00 C ATOM 735 CD2 TYR A 45 14.573 -12.340 -0.251 1.00 0.00 C ATOM 736 CE1 TYR A 45 14.549 -14.951 0.758 1.00 0.00 C ATOM 737 CE2 TYR A 45 13.788 -13.321 -0.868 1.00 0.00 C ATOM 738 CZ TYR A 45 13.776 -14.627 -0.363 1.00 0.00 C ATOM 739 OH TYR A 45 13.001 -15.594 -0.971 1.00 0.00 O ATOM 0 H TYR A 45 13.971 -10.912 2.102 1.00 0.00 H new ATOM 0 HA TYR A 45 15.946 -12.449 3.534 1.00 0.00 H new ATOM 0 HB2 TYR A 45 16.048 -10.644 1.042 1.00 0.00 H new ATOM 0 HB3 TYR A 45 17.250 -11.855 1.438 1.00 0.00 H new ATOM 0 HD1 TYR A 45 15.931 -14.220 2.239 1.00 0.00 H new ATOM 0 HD2 TYR A 45 14.582 -11.332 -0.640 1.00 0.00 H new ATOM 0 HE1 TYR A 45 14.540 -15.958 1.148 1.00 0.00 H new ATOM 0 HE2 TYR A 45 13.192 -13.071 -1.733 1.00 0.00 H new ATOM 0 HH TYR A 45 12.527 -15.202 -1.734 1.00 0.00 H new ATOM 749 N SER A 46 16.324 -9.220 3.673 1.00 0.00 N ATOM 750 CA SER A 46 17.153 -8.158 4.315 1.00 0.00 C ATOM 751 C SER A 46 16.731 -7.964 5.774 1.00 0.00 C ATOM 752 O SER A 46 17.516 -7.546 6.606 1.00 0.00 O ATOM 753 CB SER A 46 16.875 -6.893 3.505 1.00 0.00 C ATOM 754 OG SER A 46 17.808 -6.805 2.437 1.00 0.00 O ATOM 0 H SER A 46 15.476 -8.886 3.214 1.00 0.00 H new ATOM 0 HA SER A 46 18.213 -8.412 4.323 1.00 0.00 H new ATOM 0 HB2 SER A 46 15.858 -6.914 3.114 1.00 0.00 H new ATOM 0 HB3 SER A 46 16.953 -6.014 4.144 1.00 0.00 H new ATOM 0 HG SER A 46 17.631 -5.995 1.914 1.00 0.00 H new ATOM 760 N GLY A 47 15.487 -8.231 6.081 1.00 0.00 N ATOM 761 CA GLY A 47 14.992 -8.026 7.475 1.00 0.00 C ATOM 762 C GLY A 47 14.272 -6.680 7.568 1.00 0.00 C ATOM 763 O GLY A 47 14.277 -6.035 8.600 1.00 0.00 O ATOM 0 H GLY A 47 14.791 -8.583 5.424 1.00 0.00 H new ATOM 0 HA2 GLY A 47 14.314 -8.833 7.754 1.00 0.00 H new ATOM 0 HA3 GLY A 47 15.826 -8.053 8.176 1.00 0.00 H new ATOM 767 N ILE A 55 13.660 -6.251 6.494 1.00 0.00 N ATOM 768 CA ILE A 55 12.940 -4.940 6.506 1.00 0.00 C ATOM 769 C ILE A 55 11.458 -5.161 6.825 1.00 0.00 C ATOM 770 O ILE A 55 10.951 -6.263 6.723 1.00 0.00 O ATOM 771 CB ILE A 55 13.114 -4.375 5.091 1.00 0.00 C ATOM 772 CG1 ILE A 55 14.604 -4.186 4.790 1.00 0.00 C ATOM 773 CG2 ILE A 55 12.405 -3.022 4.985 1.00 0.00 C ATOM 774 CD1 ILE A 55 14.816 -4.132 3.277 1.00 0.00 C ATOM 0 H ILE A 55 13.627 -6.753 5.607 1.00 0.00 H new ATOM 0 HA ILE A 55 13.330 -4.258 7.262 1.00 0.00 H new ATOM 0 HB ILE A 55 12.681 -5.072 4.374 1.00 0.00 H new ATOM 0 HG12 ILE A 55 14.965 -3.267 5.252 1.00 0.00 H new ATOM 0 HG13 ILE A 55 15.179 -5.006 5.219 1.00 0.00 H new ATOM 0 HG21 ILE A 55 12.531 -2.623 3.978 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.343 -3.150 5.195 1.00 0.00 H new ATOM 0 HG23 ILE A 55 12.836 -2.328 5.707 1.00 0.00 H new ATOM 0 HD11 ILE A 55 15.876 -3.997 3.063 1.00 0.00 H new ATOM 0 HD12 ILE A 55 14.470 -5.063 2.828 1.00 0.00 H new ATOM 0 HD13 ILE A 55 14.253 -3.297 2.860 1.00 0.00 H new ATOM 786 N ASN A 56 10.763 -4.119 7.205 1.00 0.00 N ATOM 787 CA ASN A 56 9.310 -4.258 7.527 1.00 0.00 C ATOM 788 C ASN A 56 8.482 -3.268 6.699 1.00 0.00 C ATOM 789 O ASN A 56 7.396 -3.582 6.251 1.00 0.00 O ATOM 790 CB ASN A 56 9.196 -3.943 9.025 1.00 0.00 C ATOM 791 CG ASN A 56 9.727 -2.533 9.308 1.00 0.00 C ATOM 792 OD1 ASN A 56 10.857 -2.222 8.989 1.00 0.00 O ATOM 793 ND2 ASN A 56 8.953 -1.665 9.899 1.00 0.00 N ATOM 0 H ASN A 56 11.140 -3.176 7.306 1.00 0.00 H new ATOM 0 HA ASN A 56 8.932 -5.254 7.294 1.00 0.00 H new ATOM 0 HB2 ASN A 56 8.156 -4.019 9.343 1.00 0.00 H new ATOM 0 HB3 ASN A 56 9.760 -4.675 9.603 1.00 0.00 H new ATOM 0 HD21 ASN A 56 9.297 -0.725 10.093 1.00 0.00 H new ATOM 0 HD22 ASN A 56 8.004 -1.927 10.167 1.00 0.00 H new ATOM 800 N THR A 57 8.975 -2.068 6.522 1.00 0.00 N ATOM 801 CA THR A 57 8.205 -1.042 5.756 1.00 0.00 C ATOM 802 C THR A 57 8.974 -0.635 4.496 1.00 0.00 C ATOM 803 O THR A 57 10.185 -0.736 4.438 1.00 0.00 O ATOM 804 CB THR A 57 8.071 0.147 6.710 1.00 0.00 C ATOM 805 OG1 THR A 57 9.320 0.386 7.343 1.00 0.00 O ATOM 806 CG2 THR A 57 7.011 -0.164 7.768 1.00 0.00 C ATOM 0 H THR A 57 9.879 -1.755 6.876 1.00 0.00 H new ATOM 0 HA THR A 57 7.234 -1.414 5.429 1.00 0.00 H new ATOM 0 HB THR A 57 7.772 1.033 6.149 1.00 0.00 H new ATOM 0 HG1 THR A 57 9.237 1.148 7.953 1.00 0.00 H new ATOM 0 HG21 THR A 57 6.916 0.683 8.447 1.00 0.00 H new ATOM 0 HG22 THR A 57 6.053 -0.348 7.281 1.00 0.00 H new ATOM 0 HG23 THR A 57 7.307 -1.049 8.331 1.00 0.00 H new ATOM 814 N ASN A 58 8.281 -0.127 3.508 1.00 0.00 N ATOM 815 CA ASN A 58 8.969 0.347 2.269 1.00 0.00 C ATOM 816 C ASN A 58 8.165 1.478 1.619 1.00 0.00 C ATOM 817 O ASN A 58 7.205 1.970 2.183 1.00 0.00 O ATOM 818 CB ASN A 58 9.017 -0.874 1.350 1.00 0.00 C ATOM 819 CG ASN A 58 10.377 -1.561 1.481 1.00 0.00 C ATOM 820 OD1 ASN A 58 10.656 -2.199 2.476 1.00 0.00 O ATOM 821 ND2 ASN A 58 11.243 -1.458 0.508 1.00 0.00 N ATOM 0 H ASN A 58 7.267 -0.020 3.506 1.00 0.00 H new ATOM 0 HA ASN A 58 9.964 0.741 2.474 1.00 0.00 H new ATOM 0 HB2 ASN A 58 8.220 -1.570 1.611 1.00 0.00 H new ATOM 0 HB3 ASN A 58 8.849 -0.571 0.317 1.00 0.00 H new ATOM 0 HD21 ASN A 58 12.153 -1.913 0.584 1.00 0.00 H new ATOM 0 HD22 ASN A 58 11.009 -0.922 -0.328 1.00 0.00 H new ATOM 828 N ASN A 59 8.556 1.893 0.441 1.00 0.00 N ATOM 829 CA ASN A 59 7.824 2.995 -0.252 1.00 0.00 C ATOM 830 C ASN A 59 7.250 2.498 -1.581 1.00 0.00 C ATOM 831 O ASN A 59 7.909 1.796 -2.326 1.00 0.00 O ATOM 832 CB ASN A 59 8.878 4.078 -0.493 1.00 0.00 C ATOM 833 CG ASN A 59 9.411 4.580 0.850 1.00 0.00 C ATOM 834 OD1 ASN A 59 9.917 3.808 1.642 1.00 0.00 O ATOM 835 ND2 ASN A 59 9.321 5.848 1.142 1.00 0.00 N ATOM 0 H ASN A 59 9.353 1.515 -0.072 1.00 0.00 H new ATOM 0 HA ASN A 59 6.984 3.366 0.335 1.00 0.00 H new ATOM 0 HB2 ASN A 59 9.695 3.678 -1.094 1.00 0.00 H new ATOM 0 HB3 ASN A 59 8.444 4.904 -1.056 1.00 0.00 H new ATOM 0 HD21 ASN A 59 9.675 6.192 2.035 1.00 0.00 H new ATOM 0 HD22 ASN A 59 8.897 6.495 0.478 1.00 0.00 H new ATOM 842 N PHE A 60 6.044 2.891 -1.899 1.00 0.00 N ATOM 843 CA PHE A 60 5.435 2.483 -3.201 1.00 0.00 C ATOM 844 C PHE A 60 4.642 3.646 -3.803 1.00 0.00 C ATOM 845 O PHE A 60 4.336 4.613 -3.130 1.00 0.00 O ATOM 846 CB PHE A 60 4.504 1.321 -2.856 1.00 0.00 C ATOM 847 CG PHE A 60 5.314 0.167 -2.316 1.00 0.00 C ATOM 848 CD1 PHE A 60 5.586 0.085 -0.945 1.00 0.00 C ATOM 849 CD2 PHE A 60 5.792 -0.820 -3.185 1.00 0.00 C ATOM 850 CE1 PHE A 60 6.336 -0.984 -0.444 1.00 0.00 C ATOM 851 CE2 PHE A 60 6.542 -1.890 -2.684 1.00 0.00 C ATOM 852 CZ PHE A 60 6.815 -1.973 -1.313 1.00 0.00 C ATOM 0 H PHE A 60 5.453 3.479 -1.312 1.00 0.00 H new ATOM 0 HA PHE A 60 6.187 2.198 -3.937 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.768 1.639 -2.118 1.00 0.00 H new ATOM 0 HB3 PHE A 60 3.952 1.008 -3.742 1.00 0.00 H new ATOM 0 HD1 PHE A 60 5.217 0.847 -0.275 1.00 0.00 H new ATOM 0 HD2 PHE A 60 5.582 -0.756 -4.242 1.00 0.00 H new ATOM 0 HE1 PHE A 60 6.546 -1.047 0.614 1.00 0.00 H new ATOM 0 HE2 PHE A 60 6.910 -2.652 -3.355 1.00 0.00 H new ATOM 0 HZ PHE A 60 7.394 -2.798 -0.926 1.00 0.00 H new ATOM 862 N ALA A 61 4.289 3.547 -5.059 1.00 0.00 N ATOM 863 CA ALA A 61 3.492 4.631 -5.708 1.00 0.00 C ATOM 864 C ALA A 61 1.995 4.358 -5.540 1.00 0.00 C ATOM 865 O ALA A 61 1.557 3.224 -5.553 1.00 0.00 O ATOM 866 CB ALA A 61 3.883 4.580 -7.185 1.00 0.00 C ATOM 0 H ALA A 61 4.519 2.759 -5.665 1.00 0.00 H new ATOM 0 HA ALA A 61 3.689 5.609 -5.268 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.338 5.349 -7.732 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.954 4.755 -7.284 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.636 3.600 -7.593 1.00 0.00 H new ATOM 872 N GLU A 62 1.205 5.396 -5.412 1.00 0.00 N ATOM 873 CA GLU A 62 -0.273 5.206 -5.277 1.00 0.00 C ATOM 874 C GLU A 62 -0.834 4.500 -6.517 1.00 0.00 C ATOM 875 O GLU A 62 -1.772 3.729 -6.429 1.00 0.00 O ATOM 876 CB GLU A 62 -0.857 6.620 -5.145 1.00 0.00 C ATOM 877 CG GLU A 62 -0.499 7.457 -6.379 1.00 0.00 C ATOM 878 CD GLU A 62 -0.264 8.910 -5.962 1.00 0.00 C ATOM 879 OE1 GLU A 62 -1.070 9.427 -5.208 1.00 0.00 O ATOM 880 OE2 GLU A 62 0.720 9.480 -6.405 1.00 0.00 O ATOM 0 H GLU A 62 1.520 6.366 -5.395 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.528 4.585 -4.418 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.940 6.565 -5.035 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.469 7.099 -4.246 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.395 7.056 -6.856 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.303 7.404 -7.113 1.00 0.00 H new ATOM 887 N ASP A 63 -0.205 4.687 -7.649 1.00 0.00 N ATOM 888 CA ASP A 63 -0.628 3.947 -8.878 1.00 0.00 C ATOM 889 C ASP A 63 -0.308 2.452 -8.743 1.00 0.00 C ATOM 890 O ASP A 63 -0.908 1.622 -9.400 1.00 0.00 O ATOM 891 CB ASP A 63 0.173 4.573 -10.028 1.00 0.00 C ATOM 892 CG ASP A 63 1.675 4.432 -9.759 1.00 0.00 C ATOM 893 OD1 ASP A 63 2.215 3.379 -10.057 1.00 0.00 O ATOM 894 OD2 ASP A 63 2.258 5.380 -9.260 1.00 0.00 O ATOM 0 H ASP A 63 0.584 5.321 -7.776 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.702 4.023 -9.048 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.084 4.085 -10.968 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.089 5.626 -10.133 1.00 0.00 H new ATOM 899 N GLU A 64 0.652 2.110 -7.919 1.00 0.00 N ATOM 900 CA GLU A 64 1.038 0.675 -7.765 1.00 0.00 C ATOM 901 C GLU A 64 0.333 0.060 -6.553 1.00 0.00 C ATOM 902 O GLU A 64 0.819 -0.883 -5.958 1.00 0.00 O ATOM 903 CB GLU A 64 2.552 0.696 -7.549 1.00 0.00 C ATOM 904 CG GLU A 64 3.263 0.772 -8.903 1.00 0.00 C ATOM 905 CD GLU A 64 4.519 1.639 -8.775 1.00 0.00 C ATOM 906 OE1 GLU A 64 5.132 1.608 -7.720 1.00 0.00 O ATOM 907 OE2 GLU A 64 4.845 2.318 -9.734 1.00 0.00 O ATOM 0 H GLU A 64 1.185 2.764 -7.346 1.00 0.00 H new ATOM 0 HA GLU A 64 0.755 0.077 -8.631 1.00 0.00 H new ATOM 0 HB2 GLU A 64 2.830 1.551 -6.933 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.865 -0.199 -7.012 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.532 -0.229 -9.240 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.594 1.192 -9.654 1.00 0.00 H new ATOM 914 N LEU A 65 -0.822 0.567 -6.204 1.00 0.00 N ATOM 915 CA LEU A 65 -1.582 -0.006 -5.054 1.00 0.00 C ATOM 916 C LEU A 65 -3.073 -0.090 -5.393 1.00 0.00 C ATOM 917 O LEU A 65 -3.690 0.894 -5.757 1.00 0.00 O ATOM 918 CB LEU A 65 -1.348 0.968 -3.899 1.00 0.00 C ATOM 919 CG LEU A 65 0.109 0.879 -3.441 1.00 0.00 C ATOM 920 CD1 LEU A 65 0.381 1.958 -2.393 1.00 0.00 C ATOM 921 CD2 LEU A 65 0.368 -0.500 -2.831 1.00 0.00 C ATOM 0 H LEU A 65 -1.272 1.356 -6.668 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.256 -1.016 -4.807 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.579 1.985 -4.215 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.016 0.732 -3.070 1.00 0.00 H new ATOM 0 HG LEU A 65 0.768 1.029 -4.296 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.419 1.895 -2.067 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.196 2.941 -2.826 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.278 1.809 -1.538 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.406 -0.564 -2.504 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.291 -0.649 -1.976 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.174 -1.270 -3.577 1.00 0.00 H new ATOM 933 N VAL A 66 -3.666 -1.243 -5.211 1.00 0.00 N ATOM 934 CA VAL A 66 -5.135 -1.382 -5.450 1.00 0.00 C ATOM 935 C VAL A 66 -5.878 -1.455 -4.112 1.00 0.00 C ATOM 936 O VAL A 66 -5.353 -1.942 -3.128 1.00 0.00 O ATOM 937 CB VAL A 66 -5.292 -2.692 -6.230 1.00 0.00 C ATOM 938 CG1 VAL A 66 -6.771 -2.935 -6.542 1.00 0.00 C ATOM 939 CG2 VAL A 66 -4.509 -2.606 -7.544 1.00 0.00 C ATOM 0 H VAL A 66 -3.195 -2.095 -4.907 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.549 -0.536 -5.998 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.907 -3.514 -5.626 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.877 -3.867 -7.097 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -7.333 -3.001 -5.611 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.157 -2.110 -7.141 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.622 -3.539 -8.097 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.893 -1.780 -8.143 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.454 -2.438 -7.328 1.00 0.00 H new ATOM 949 N GLU A 67 -7.099 -0.985 -4.076 1.00 0.00 N ATOM 950 CA GLU A 67 -7.889 -1.036 -2.810 1.00 0.00 C ATOM 951 C GLU A 67 -8.526 -2.418 -2.638 1.00 0.00 C ATOM 952 O GLU A 67 -9.140 -2.944 -3.548 1.00 0.00 O ATOM 953 CB GLU A 67 -8.969 0.035 -2.973 1.00 0.00 C ATOM 954 CG GLU A 67 -9.296 0.642 -1.607 1.00 0.00 C ATOM 955 CD GLU A 67 -10.006 -0.401 -0.741 1.00 0.00 C ATOM 956 OE1 GLU A 67 -11.107 -0.790 -1.100 1.00 0.00 O ATOM 957 OE2 GLU A 67 -9.438 -0.793 0.264 1.00 0.00 O ATOM 0 H GLU A 67 -7.583 -0.567 -4.871 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.270 -0.860 -1.930 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.625 0.812 -3.655 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.866 -0.402 -3.413 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.381 0.975 -1.117 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -9.930 1.520 -1.730 1.00 0.00 H new ATOM 964 N VAL A 68 -8.401 -2.997 -1.472 1.00 0.00 N ATOM 965 CA VAL A 68 -9.016 -4.337 -1.222 1.00 0.00 C ATOM 966 C VAL A 68 -9.553 -4.415 0.212 1.00 0.00 C ATOM 967 O VAL A 68 -9.195 -5.298 0.969 1.00 0.00 O ATOM 968 CB VAL A 68 -7.882 -5.347 -1.437 1.00 0.00 C ATOM 969 CG1 VAL A 68 -7.385 -5.255 -2.880 1.00 0.00 C ATOM 970 CG2 VAL A 68 -6.722 -5.047 -0.481 1.00 0.00 C ATOM 0 H VAL A 68 -7.898 -2.599 -0.679 1.00 0.00 H new ATOM 0 HA VAL A 68 -9.860 -4.534 -1.884 1.00 0.00 H new ATOM 0 HB VAL A 68 -8.258 -6.351 -1.239 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.579 -5.973 -3.034 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.205 -5.479 -3.562 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.016 -4.248 -3.074 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.922 -5.770 -0.642 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -6.346 -4.041 -0.670 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.072 -5.116 0.549 1.00 0.00 H new