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= -4.73! C(o=-4.7!,f=-4.8!) USER MOD Set 1.2: A 57 THR OG1 : rot 180:sc= 0.0246 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot -42:sc= 0.267 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.0301 K(o=-0.03,f=-1.5!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 22:sc= 1.07 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= -2.17 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -1.85! C(o=-1.9!,f=-15!) 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=-4.9!) USER MOD Single : A 59 ASN : amide:sc= -1.34 K(o=-1.3,f=-4!) USER MOD ----------------------------------------------------------------- ATOM 95 N LYS A 7 -6.066 -0.482 3.487 1.00 0.00 N ATOM 96 CA LYS A 7 -5.553 -1.837 3.128 1.00 0.00 C ATOM 97 C LYS A 7 -5.554 -2.017 1.608 1.00 0.00 C ATOM 98 O LYS A 7 -6.570 -2.319 1.011 1.00 0.00 O ATOM 99 CB LYS A 7 -6.527 -2.816 3.785 1.00 0.00 C ATOM 100 CG LYS A 7 -6.436 -2.685 5.306 1.00 0.00 C ATOM 101 CD LYS A 7 -5.328 -3.598 5.833 1.00 0.00 C ATOM 102 CE LYS A 7 -5.262 -3.497 7.358 1.00 0.00 C ATOM 103 NZ LYS A 7 -4.900 -4.866 7.819 1.00 0.00 N ATOM 0 HA LYS A 7 -4.528 -1.994 3.465 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -7.545 -2.611 3.452 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -6.292 -3.837 3.483 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -6.230 -1.650 5.581 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.389 -2.952 5.762 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.520 -4.629 5.535 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.370 -3.313 5.398 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.519 -2.765 7.673 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -6.218 -3.180 7.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -4.836 -4.877 8.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -5.629 -5.540 7.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -3.982 -5.138 7.412 1.00 0.00 H new ATOM 117 N VAL A 8 -4.416 -1.849 0.982 1.00 0.00 N ATOM 118 CA VAL A 8 -4.336 -2.026 -0.499 1.00 0.00 C ATOM 119 C VAL A 8 -3.412 -3.198 -0.846 1.00 0.00 C ATOM 120 O VAL A 8 -2.507 -3.525 -0.101 1.00 0.00 O ATOM 121 CB VAL A 8 -3.767 -0.707 -1.037 1.00 0.00 C ATOM 122 CG1 VAL A 8 -4.733 0.433 -0.712 1.00 0.00 C ATOM 123 CG2 VAL A 8 -2.405 -0.418 -0.389 1.00 0.00 C ATOM 0 H VAL A 8 -3.537 -1.596 1.435 1.00 0.00 H new ATOM 0 HA VAL A 8 -5.308 -2.252 -0.937 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.640 -0.788 -2.117 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.330 1.371 -1.094 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -5.698 0.236 -1.178 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -4.860 0.505 0.368 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.009 0.520 -0.777 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.525 -0.342 0.692 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.713 -1.227 -0.621 1.00 0.00 H new ATOM 133 N ARG A 9 -3.597 -3.789 -1.999 1.00 0.00 N ATOM 134 CA ARG A 9 -2.691 -4.894 -2.436 1.00 0.00 C ATOM 135 C ARG A 9 -1.381 -4.318 -2.981 1.00 0.00 C ATOM 136 O ARG A 9 -1.315 -3.167 -3.373 1.00 0.00 O ATOM 137 CB ARG A 9 -3.457 -5.624 -3.539 1.00 0.00 C ATOM 138 CG ARG A 9 -4.301 -6.740 -2.922 1.00 0.00 C ATOM 139 CD ARG A 9 -4.382 -7.919 -3.896 1.00 0.00 C ATOM 140 NE ARG A 9 -5.447 -7.543 -4.878 1.00 0.00 N ATOM 141 CZ ARG A 9 -5.557 -8.157 -6.041 1.00 0.00 C ATOM 142 NH1 ARG A 9 -4.713 -9.094 -6.407 1.00 0.00 N ATOM 143 NH2 ARG A 9 -6.528 -7.824 -6.847 1.00 0.00 N ATOM 0 H ARG A 9 -4.339 -3.553 -2.658 1.00 0.00 H new ATOM 0 HA ARG A 9 -2.428 -5.561 -1.615 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -4.097 -4.924 -4.076 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.760 -6.041 -4.266 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -3.861 -7.064 -1.979 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -5.302 -6.371 -2.697 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -3.427 -8.084 -4.395 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -4.634 -8.843 -3.376 1.00 0.00 H new ATOM 0 HE ARG A 9 -6.101 -6.797 -4.643 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -3.949 -9.363 -5.787 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -4.821 -9.553 -7.312 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -7.190 -7.097 -6.575 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -6.625 -8.290 -7.749 1.00 0.00 H new ATOM 157 N ILE A 10 -0.340 -5.110 -3.003 1.00 0.00 N ATOM 158 CA ILE A 10 0.974 -4.615 -3.518 1.00 0.00 C ATOM 159 C ILE A 10 1.199 -5.113 -4.948 1.00 0.00 C ATOM 160 O ILE A 10 1.317 -6.300 -5.189 1.00 0.00 O ATOM 161 CB ILE A 10 2.025 -5.204 -2.566 1.00 0.00 C ATOM 162 CG1 ILE A 10 1.749 -4.739 -1.125 1.00 0.00 C ATOM 163 CG2 ILE A 10 3.425 -4.749 -2.995 1.00 0.00 C ATOM 164 CD1 ILE A 10 1.807 -3.208 -1.037 1.00 0.00 C ATOM 0 H ILE A 10 -0.342 -6.080 -2.686 1.00 0.00 H new ATOM 0 HA ILE A 10 1.023 -3.527 -3.550 1.00 0.00 H new ATOM 0 HB ILE A 10 1.970 -6.292 -2.606 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.769 -5.091 -0.804 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.483 -5.177 -0.448 1.00 0.00 H new ATOM 0 HG21 ILE A 10 4.168 -5.169 -2.317 1.00 0.00 H new ATOM 0 HG22 ILE A 10 3.624 -5.093 -4.010 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.479 -3.661 -2.964 1.00 0.00 H new ATOM 0 HD11 ILE A 10 1.610 -2.895 -0.012 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.796 -2.863 -1.338 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.056 -2.777 -1.699 1.00 0.00 H new ATOM 176 N LEU A 11 1.341 -4.208 -5.884 1.00 0.00 N ATOM 177 CA LEU A 11 1.656 -4.615 -7.285 1.00 0.00 C ATOM 178 C LEU A 11 3.150 -4.431 -7.564 1.00 0.00 C ATOM 179 O LEU A 11 3.540 -3.946 -8.610 1.00 0.00 O ATOM 180 CB LEU A 11 0.824 -3.675 -8.169 1.00 0.00 C ATOM 181 CG LEU A 11 -0.600 -4.224 -8.349 1.00 0.00 C ATOM 182 CD1 LEU A 11 -0.552 -5.591 -9.037 1.00 0.00 C ATOM 183 CD2 LEU A 11 -1.283 -4.363 -6.983 1.00 0.00 C ATOM 0 H LEU A 11 1.252 -3.203 -5.736 1.00 0.00 H new ATOM 0 HA LEU A 11 1.424 -5.663 -7.473 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.783 -2.684 -7.718 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.302 -3.563 -9.142 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.168 -3.530 -8.968 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.566 -5.972 -9.160 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.081 -5.490 -10.015 1.00 0.00 H new ATOM 0 HD13 LEU A 11 0.025 -6.286 -8.426 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.292 -4.753 -7.119 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.710 -5.048 -6.358 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.333 -3.387 -6.500 1.00 0.00 H new ATOM 195 N ARG A 12 3.986 -4.817 -6.634 1.00 0.00 N ATOM 196 CA ARG A 12 5.459 -4.671 -6.833 1.00 0.00 C ATOM 197 C ARG A 12 6.129 -6.054 -6.873 1.00 0.00 C ATOM 198 O ARG A 12 6.636 -6.517 -5.871 1.00 0.00 O ATOM 199 CB ARG A 12 5.944 -3.874 -5.621 1.00 0.00 C ATOM 200 CG ARG A 12 7.244 -3.148 -5.972 1.00 0.00 C ATOM 201 CD ARG A 12 6.928 -1.720 -6.423 1.00 0.00 C ATOM 202 NE ARG A 12 8.135 -1.279 -7.190 1.00 0.00 N ATOM 203 CZ ARG A 12 8.072 -0.297 -8.068 1.00 0.00 C ATOM 204 NH1 ARG A 12 6.960 0.372 -8.275 1.00 0.00 N ATOM 205 NH2 ARG A 12 9.140 0.021 -8.745 1.00 0.00 N ATOM 0 H ARG A 12 3.710 -5.228 -5.742 1.00 0.00 H new ATOM 0 HA ARG A 12 5.703 -4.174 -7.772 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.184 -3.154 -5.318 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.105 -4.542 -4.775 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.907 -3.129 -5.107 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.769 -3.683 -6.764 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.033 -1.692 -7.045 1.00 0.00 H new ATOM 0 HD3 ARG A 12 6.743 -1.068 -5.569 1.00 0.00 H new ATOM 0 HE ARG A 12 9.026 -1.748 -7.030 1.00 0.00 H new ATOM 0 HH11 ARG A 12 6.118 0.136 -7.750 1.00 0.00 H new ATOM 0 HH12 ARG A 12 6.939 1.127 -8.960 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.011 -0.488 -8.593 1.00 0.00 H new ATOM 0 HH22 ARG A 12 9.105 0.779 -9.427 1.00 0.00 H new ATOM 219 N PRO A 13 6.114 -6.680 -8.036 1.00 0.00 N ATOM 220 CA PRO A 13 6.736 -8.028 -8.185 1.00 0.00 C ATOM 221 C PRO A 13 8.184 -8.026 -7.679 1.00 0.00 C ATOM 222 O PRO A 13 8.702 -9.043 -7.256 1.00 0.00 O ATOM 223 CB PRO A 13 6.696 -8.277 -9.691 1.00 0.00 C ATOM 224 CG PRO A 13 5.578 -7.425 -10.194 1.00 0.00 C ATOM 225 CD PRO A 13 5.525 -6.212 -9.304 1.00 0.00 C ATOM 0 HA PRO A 13 6.218 -8.795 -7.609 1.00 0.00 H new ATOM 0 HB2 PRO A 13 7.641 -8.006 -10.161 1.00 0.00 H new ATOM 0 HB3 PRO A 13 6.520 -9.330 -9.912 1.00 0.00 H new ATOM 0 HG2 PRO A 13 5.748 -7.137 -11.231 1.00 0.00 H new ATOM 0 HG3 PRO A 13 4.634 -7.968 -10.164 1.00 0.00 H new ATOM 0 HD2 PRO A 13 6.091 -5.381 -9.726 1.00 0.00 H new ATOM 0 HD3 PRO A 13 4.502 -5.862 -9.165 1.00 0.00 H new ATOM 233 N GLU A 14 8.830 -6.887 -7.705 1.00 0.00 N ATOM 234 CA GLU A 14 10.238 -6.807 -7.209 1.00 0.00 C ATOM 235 C GLU A 14 10.267 -6.862 -5.678 1.00 0.00 C ATOM 236 O GLU A 14 11.249 -7.266 -5.084 1.00 0.00 O ATOM 237 CB GLU A 14 10.762 -5.459 -7.706 1.00 0.00 C ATOM 238 CG GLU A 14 11.341 -5.622 -9.113 1.00 0.00 C ATOM 239 CD GLU A 14 12.843 -5.896 -9.018 1.00 0.00 C ATOM 240 OE1 GLU A 14 13.505 -5.202 -8.264 1.00 0.00 O ATOM 241 OE2 GLU A 14 13.305 -6.795 -9.702 1.00 0.00 O ATOM 0 H GLU A 14 8.443 -6.008 -8.049 1.00 0.00 H new ATOM 0 HA GLU A 14 10.846 -7.637 -7.568 1.00 0.00 H new ATOM 0 HB2 GLU A 14 9.956 -4.725 -7.716 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.528 -5.082 -7.028 1.00 0.00 H new ATOM 0 HG2 GLU A 14 10.843 -6.442 -9.630 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.161 -4.720 -9.698 1.00 0.00 H new ATOM 248 N SER A 15 9.211 -6.428 -5.038 1.00 0.00 N ATOM 249 CA SER A 15 9.186 -6.420 -3.542 1.00 0.00 C ATOM 250 C SER A 15 8.934 -7.832 -3.008 1.00 0.00 C ATOM 251 O SER A 15 8.116 -8.564 -3.532 1.00 0.00 O ATOM 252 CB SER A 15 8.032 -5.490 -3.166 1.00 0.00 C ATOM 253 OG SER A 15 6.797 -6.158 -3.391 1.00 0.00 O ATOM 0 H SER A 15 8.364 -6.078 -5.486 1.00 0.00 H new ATOM 0 HA SER A 15 10.132 -6.085 -3.117 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.114 -5.195 -2.120 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.078 -4.577 -3.759 1.00 0.00 H new ATOM 0 HG SER A 15 6.842 -6.653 -4.236 1.00 0.00 H new ATOM 259 N TYR A 16 9.543 -8.169 -1.900 1.00 0.00 N ATOM 260 CA TYR A 16 9.243 -9.480 -1.242 1.00 0.00 C ATOM 261 C TYR A 16 7.759 -9.564 -0.866 1.00 0.00 C ATOM 262 O TYR A 16 7.227 -10.639 -0.659 1.00 0.00 O ATOM 263 CB TYR A 16 10.117 -9.509 0.016 1.00 0.00 C ATOM 264 CG TYR A 16 9.957 -10.838 0.714 1.00 0.00 C ATOM 265 CD1 TYR A 16 10.536 -11.990 0.168 1.00 0.00 C ATOM 266 CD2 TYR A 16 9.231 -10.919 1.908 1.00 0.00 C ATOM 267 CE1 TYR A 16 10.387 -13.223 0.816 1.00 0.00 C ATOM 268 CE2 TYR A 16 9.082 -12.151 2.555 1.00 0.00 C ATOM 269 CZ TYR A 16 9.661 -13.303 2.009 1.00 0.00 C ATOM 270 OH TYR A 16 9.515 -14.518 2.648 1.00 0.00 O ATOM 0 H TYR A 16 10.236 -7.594 -1.421 1.00 0.00 H new ATOM 0 HA TYR A 16 9.450 -10.323 -1.901 1.00 0.00 H new ATOM 0 HB2 TYR A 16 11.162 -9.351 -0.251 1.00 0.00 H new ATOM 0 HB3 TYR A 16 9.833 -8.698 0.687 1.00 0.00 H new ATOM 0 HD1 TYR A 16 11.097 -11.928 -0.753 1.00 0.00 H new ATOM 0 HD2 TYR A 16 8.786 -10.030 2.330 1.00 0.00 H new ATOM 0 HE1 TYR A 16 10.833 -14.112 0.394 1.00 0.00 H new ATOM 0 HE2 TYR A 16 8.520 -12.213 3.475 1.00 0.00 H new ATOM 0 HH TYR A 16 8.984 -14.397 3.463 1.00 0.00 H new ATOM 280 N TRP A 17 7.116 -8.437 -0.681 1.00 0.00 N ATOM 281 CA TRP A 17 5.699 -8.447 -0.207 1.00 0.00 C ATOM 282 C TRP A 17 4.739 -8.329 -1.395 1.00 0.00 C ATOM 283 O TRP A 17 3.672 -7.757 -1.285 1.00 0.00 O ATOM 284 CB TRP A 17 5.573 -7.222 0.702 1.00 0.00 C ATOM 285 CG TRP A 17 6.500 -7.361 1.867 1.00 0.00 C ATOM 286 CD1 TRP A 17 6.344 -8.238 2.885 1.00 0.00 C ATOM 287 CD2 TRP A 17 7.720 -6.617 2.150 1.00 0.00 C ATOM 288 NE1 TRP A 17 7.391 -8.080 3.776 1.00 0.00 N ATOM 289 CE2 TRP A 17 8.266 -7.092 3.366 1.00 0.00 C ATOM 290 CE3 TRP A 17 8.400 -5.587 1.476 1.00 0.00 C ATOM 291 CZ2 TRP A 17 9.444 -6.563 3.895 1.00 0.00 C ATOM 292 CZ3 TRP A 17 9.586 -5.052 2.005 1.00 0.00 C ATOM 293 CH2 TRP A 17 10.107 -5.539 3.213 1.00 0.00 C ATOM 0 H TRP A 17 7.512 -7.510 -0.838 1.00 0.00 H new ATOM 0 HA TRP A 17 5.449 -9.371 0.314 1.00 0.00 H new ATOM 0 HB2 TRP A 17 5.809 -6.317 0.143 1.00 0.00 H new ATOM 0 HB3 TRP A 17 4.546 -7.121 1.052 1.00 0.00 H new ATOM 0 HD1 TRP A 17 5.535 -8.946 2.986 1.00 0.00 H new ATOM 0 HE1 TRP A 17 7.503 -8.626 4.630 1.00 0.00 H new ATOM 0 HE3 TRP A 17 8.008 -5.205 0.545 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 9.841 -6.942 4.825 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 10.100 -4.261 1.479 1.00 0.00 H new ATOM 0 HH2 TRP A 17 11.019 -5.123 3.615 1.00 0.00 H new ATOM 304 N PHE A 18 5.096 -8.902 -2.518 1.00 0.00 N ATOM 305 CA PHE A 18 4.186 -8.862 -3.705 1.00 0.00 C ATOM 306 C PHE A 18 2.932 -9.699 -3.437 1.00 0.00 C ATOM 307 O PHE A 18 2.936 -10.591 -2.612 1.00 0.00 O ATOM 308 CB PHE A 18 4.996 -9.463 -4.855 1.00 0.00 C ATOM 309 CG PHE A 18 4.238 -9.288 -6.150 1.00 0.00 C ATOM 310 CD1 PHE A 18 3.843 -8.008 -6.560 1.00 0.00 C ATOM 311 CD2 PHE A 18 3.931 -10.401 -6.939 1.00 0.00 C ATOM 312 CE1 PHE A 18 3.140 -7.845 -7.759 1.00 0.00 C ATOM 313 CE2 PHE A 18 3.228 -10.238 -8.139 1.00 0.00 C ATOM 314 CZ PHE A 18 2.833 -8.958 -8.549 1.00 0.00 C ATOM 0 H PHE A 18 5.977 -9.395 -2.664 1.00 0.00 H new ATOM 0 HA PHE A 18 3.852 -7.850 -3.932 1.00 0.00 H new ATOM 0 HB2 PHE A 18 5.969 -8.976 -4.922 1.00 0.00 H new ATOM 0 HB3 PHE A 18 5.181 -10.521 -4.670 1.00 0.00 H new ATOM 0 HD1 PHE A 18 4.081 -7.148 -5.951 1.00 0.00 H new ATOM 0 HD2 PHE A 18 4.236 -11.387 -6.622 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.834 -6.859 -8.075 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.991 -11.098 -8.748 1.00 0.00 H new ATOM 0 HZ PHE A 18 2.292 -8.830 -9.475 1.00 0.00 H new ATOM 324 N GLN A 19 1.861 -9.424 -4.143 1.00 0.00 N ATOM 325 CA GLN A 19 0.593 -10.207 -3.957 1.00 0.00 C ATOM 326 C GLN A 19 0.180 -10.229 -2.480 1.00 0.00 C ATOM 327 O GLN A 19 -0.251 -11.243 -1.962 1.00 0.00 O ATOM 328 CB GLN A 19 0.911 -11.623 -4.446 1.00 0.00 C ATOM 329 CG GLN A 19 0.771 -11.680 -5.969 1.00 0.00 C ATOM 330 CD GLN A 19 0.869 -13.133 -6.437 1.00 0.00 C ATOM 331 OE1 GLN A 19 0.511 -14.041 -5.714 1.00 0.00 O ATOM 332 NE2 GLN A 19 1.343 -13.393 -7.624 1.00 0.00 N ATOM 0 H GLN A 19 1.809 -8.686 -4.845 1.00 0.00 H new ATOM 0 HA GLN A 19 -0.237 -9.764 -4.508 1.00 0.00 H new ATOM 0 HB2 GLN A 19 1.923 -11.902 -4.152 1.00 0.00 H new ATOM 0 HB3 GLN A 19 0.235 -12.340 -3.981 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -0.184 -11.253 -6.273 1.00 0.00 H new ATOM 0 HG3 GLN A 19 1.552 -11.082 -6.439 1.00 0.00 H new ATOM 0 HE21 GLN A 19 1.644 -12.631 -8.231 1.00 0.00 H new ATOM 0 HE22 GLN A 19 1.413 -14.359 -7.945 1.00 0.00 H new ATOM 341 N ASP A 20 0.281 -9.108 -1.810 1.00 0.00 N ATOM 342 CA ASP A 20 -0.136 -9.044 -0.377 1.00 0.00 C ATOM 343 C ASP A 20 -0.863 -7.727 -0.097 1.00 0.00 C ATOM 344 O ASP A 20 -0.717 -6.761 -0.824 1.00 0.00 O ATOM 345 CB ASP A 20 1.169 -9.116 0.418 1.00 0.00 C ATOM 346 CG ASP A 20 1.436 -10.565 0.832 1.00 0.00 C ATOM 347 OD1 ASP A 20 0.538 -11.176 1.387 1.00 0.00 O ATOM 348 OD2 ASP A 20 2.534 -11.037 0.587 1.00 0.00 O ATOM 0 H ASP A 20 0.635 -8.233 -2.196 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.821 -9.848 -0.109 1.00 0.00 H new ATOM 0 HB2 ASP A 20 1.996 -8.741 -0.185 1.00 0.00 H new ATOM 0 HB3 ASP A 20 1.105 -8.480 1.301 1.00 0.00 H new ATOM 353 N VAL A 21 -1.617 -7.672 0.971 1.00 0.00 N ATOM 354 CA VAL A 21 -2.327 -6.407 1.331 1.00 0.00 C ATOM 355 C VAL A 21 -1.528 -5.642 2.391 1.00 0.00 C ATOM 356 O VAL A 21 -1.705 -5.844 3.578 1.00 0.00 O ATOM 357 CB VAL A 21 -3.683 -6.853 1.890 1.00 0.00 C ATOM 358 CG1 VAL A 21 -4.508 -5.625 2.286 1.00 0.00 C ATOM 359 CG2 VAL A 21 -4.444 -7.645 0.823 1.00 0.00 C ATOM 0 H VAL A 21 -1.772 -8.451 1.611 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.444 -5.739 0.477 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.518 -7.481 2.766 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.471 -5.946 2.683 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.973 -5.057 3.047 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.668 -4.996 1.410 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.408 -7.961 1.223 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.603 -7.016 -0.053 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.864 -8.523 0.539 1.00 0.00 H new ATOM 369 N GLY A 22 -0.660 -4.757 1.969 1.00 0.00 N ATOM 370 CA GLY A 22 0.145 -3.964 2.943 1.00 0.00 C ATOM 371 C GLY A 22 -0.678 -2.775 3.439 1.00 0.00 C ATOM 372 O GLY A 22 -1.561 -2.293 2.754 1.00 0.00 O ATOM 0 H GLY A 22 -0.475 -4.550 0.988 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.439 -4.592 3.784 1.00 0.00 H new ATOM 0 HA3 GLY A 22 1.063 -3.613 2.471 1.00 0.00 H new ATOM 376 N THR A 23 -0.372 -2.279 4.611 1.00 0.00 N ATOM 377 CA THR A 23 -1.107 -1.095 5.146 1.00 0.00 C ATOM 378 C THR A 23 -0.342 0.192 4.825 1.00 0.00 C ATOM 379 O THR A 23 0.865 0.257 4.965 1.00 0.00 O ATOM 380 CB THR A 23 -1.172 -1.318 6.658 1.00 0.00 C ATOM 381 OG1 THR A 23 -1.643 -2.632 6.921 1.00 0.00 O ATOM 382 CG2 THR A 23 -2.122 -0.296 7.286 1.00 0.00 C ATOM 0 H THR A 23 0.358 -2.645 5.222 1.00 0.00 H new ATOM 0 HA THR A 23 -2.099 -0.992 4.707 1.00 0.00 H new ATOM 0 HB THR A 23 -0.178 -1.196 7.087 1.00 0.00 H new ATOM 0 HG1 THR A 23 -1.684 -2.777 7.889 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.168 -0.456 8.363 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.758 0.711 7.084 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.118 -0.415 6.859 1.00 0.00 H new ATOM 390 N VAL A 24 -1.041 1.222 4.419 1.00 0.00 N ATOM 391 CA VAL A 24 -0.366 2.520 4.115 1.00 0.00 C ATOM 392 C VAL A 24 -0.081 3.279 5.416 1.00 0.00 C ATOM 393 O VAL A 24 -0.961 3.477 6.233 1.00 0.00 O ATOM 394 CB VAL A 24 -1.360 3.295 3.242 1.00 0.00 C ATOM 395 CG1 VAL A 24 -0.761 4.651 2.857 1.00 0.00 C ATOM 396 CG2 VAL A 24 -1.655 2.497 1.969 1.00 0.00 C ATOM 0 H VAL A 24 -2.052 1.220 4.285 1.00 0.00 H new ATOM 0 HA VAL A 24 0.590 2.382 3.610 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.283 3.449 3.801 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.470 5.199 2.237 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.549 5.225 3.759 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.163 4.496 2.301 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.362 3.049 1.349 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.730 2.342 1.414 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.084 1.531 2.236 1.00 0.00 H new ATOM 406 N ALA A 25 1.135 3.726 5.596 1.00 0.00 N ATOM 407 CA ALA A 25 1.480 4.501 6.826 1.00 0.00 C ATOM 408 C ALA A 25 1.076 5.968 6.657 1.00 0.00 C ATOM 409 O ALA A 25 0.403 6.535 7.497 1.00 0.00 O ATOM 410 CB ALA A 25 2.998 4.377 6.961 1.00 0.00 C ATOM 0 H ALA A 25 1.906 3.587 4.943 1.00 0.00 H new ATOM 0 HA ALA A 25 0.960 4.127 7.708 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.330 4.922 7.845 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.270 3.326 7.059 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.477 4.795 6.076 1.00 0.00 H new ATOM 416 N SER A 26 1.455 6.574 5.560 1.00 0.00 N ATOM 417 CA SER A 26 1.069 7.995 5.310 1.00 0.00 C ATOM 418 C SER A 26 1.364 8.375 3.856 1.00 0.00 C ATOM 419 O SER A 26 1.971 7.620 3.121 1.00 0.00 O ATOM 420 CB SER A 26 1.937 8.814 6.264 1.00 0.00 C ATOM 421 OG SER A 26 1.312 8.867 7.539 1.00 0.00 O ATOM 0 H SER A 26 2.017 6.144 4.825 1.00 0.00 H new ATOM 0 HA SER A 26 0.006 8.169 5.474 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.927 8.365 6.350 1.00 0.00 H new ATOM 0 HB3 SER A 26 2.077 9.822 5.873 1.00 0.00 H new ATOM 0 HG SER A 26 0.683 8.120 7.626 1.00 0.00 H new ATOM 427 N VAL A 27 0.964 9.554 3.451 1.00 0.00 N ATOM 428 CA VAL A 27 1.249 10.010 2.056 1.00 0.00 C ATOM 429 C VAL A 27 2.125 11.266 2.085 1.00 0.00 C ATOM 430 O VAL A 27 1.770 12.267 2.680 1.00 0.00 O ATOM 431 CB VAL A 27 -0.124 10.319 1.448 1.00 0.00 C ATOM 432 CG1 VAL A 27 0.047 10.790 0.000 1.00 0.00 C ATOM 433 CG2 VAL A 27 -0.990 9.056 1.466 1.00 0.00 C ATOM 0 H VAL A 27 0.451 10.222 4.027 1.00 0.00 H new ATOM 0 HA VAL A 27 1.787 9.261 1.475 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.606 11.103 2.033 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.931 11.009 -0.429 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.662 11.690 -0.020 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.532 10.007 -0.583 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.966 9.278 1.033 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.504 8.273 0.883 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.118 8.717 2.494 1.00 0.00 H new ATOM 509 N LYS A 33 9.996 9.144 -5.152 1.00 0.00 N ATOM 510 CA LYS A 33 9.519 8.270 -6.268 1.00 0.00 C ATOM 511 C LYS A 33 8.231 7.543 -5.860 1.00 0.00 C ATOM 512 O LYS A 33 7.369 7.290 -6.680 1.00 0.00 O ATOM 513 CB LYS A 33 10.654 7.269 -6.519 1.00 0.00 C ATOM 514 CG LYS A 33 10.941 6.465 -5.244 1.00 0.00 C ATOM 515 CD LYS A 33 12.444 6.196 -5.134 1.00 0.00 C ATOM 516 CE LYS A 33 13.172 7.495 -4.782 1.00 0.00 C ATOM 517 NZ LYS A 33 14.553 7.317 -5.308 1.00 0.00 N ATOM 0 HA LYS A 33 9.287 8.843 -7.166 1.00 0.00 H new ATOM 0 HB2 LYS A 33 10.381 6.594 -7.330 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.553 7.799 -6.834 1.00 0.00 H new ATOM 0 HG2 LYS A 33 10.595 7.015 -4.369 1.00 0.00 H new ATOM 0 HG3 LYS A 33 10.393 5.523 -5.265 1.00 0.00 H new ATOM 0 HD2 LYS A 33 12.634 5.442 -4.370 1.00 0.00 H new ATOM 0 HD3 LYS A 33 12.823 5.798 -6.076 1.00 0.00 H new ATOM 0 HE2 LYS A 33 12.684 8.357 -5.237 1.00 0.00 H new ATOM 0 HE3 LYS A 33 13.178 7.665 -3.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 15.114 8.168 -5.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 14.995 6.494 -4.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 14.516 7.164 -6.336 1.00 0.00 H new ATOM 531 N TYR A 34 8.059 7.294 -4.586 1.00 0.00 N ATOM 532 CA TYR A 34 6.782 6.688 -4.103 1.00 0.00 C ATOM 533 C TYR A 34 6.023 7.686 -3.215 1.00 0.00 C ATOM 534 O TYR A 34 6.290 7.778 -2.032 1.00 0.00 O ATOM 535 CB TYR A 34 7.205 5.462 -3.292 1.00 0.00 C ATOM 536 CG TYR A 34 7.834 4.435 -4.207 1.00 0.00 C ATOM 537 CD1 TYR A 34 7.155 4.004 -5.354 1.00 0.00 C ATOM 538 CD2 TYR A 34 9.097 3.912 -3.905 1.00 0.00 C ATOM 539 CE1 TYR A 34 7.740 3.052 -6.198 1.00 0.00 C ATOM 540 CE2 TYR A 34 9.682 2.960 -4.749 1.00 0.00 C ATOM 541 CZ TYR A 34 9.003 2.531 -5.896 1.00 0.00 C ATOM 542 OH TYR A 34 9.579 1.592 -6.727 1.00 0.00 O ATOM 0 H TYR A 34 8.749 7.485 -3.859 1.00 0.00 H new ATOM 0 HA TYR A 34 6.115 6.423 -4.924 1.00 0.00 H new ATOM 0 HB2 TYR A 34 7.913 5.754 -2.517 1.00 0.00 H new ATOM 0 HB3 TYR A 34 6.340 5.032 -2.788 1.00 0.00 H new ATOM 0 HD1 TYR A 34 6.180 4.406 -5.587 1.00 0.00 H new ATOM 0 HD2 TYR A 34 9.621 4.243 -3.020 1.00 0.00 H new ATOM 0 HE1 TYR A 34 7.216 2.720 -7.082 1.00 0.00 H new ATOM 0 HE2 TYR A 34 10.656 2.557 -4.515 1.00 0.00 H new ATOM 0 HH TYR A 34 10.456 1.336 -6.373 1.00 0.00 H new ATOM 552 N PRO A 35 5.094 8.412 -3.808 1.00 0.00 N ATOM 553 CA PRO A 35 4.298 9.411 -3.038 1.00 0.00 C ATOM 554 C PRO A 35 3.665 8.775 -1.793 1.00 0.00 C ATOM 555 O PRO A 35 3.347 9.453 -0.835 1.00 0.00 O ATOM 556 CB PRO A 35 3.218 9.849 -4.024 1.00 0.00 C ATOM 557 CG PRO A 35 3.798 9.580 -5.374 1.00 0.00 C ATOM 558 CD PRO A 35 4.697 8.383 -5.227 1.00 0.00 C ATOM 0 HA PRO A 35 4.907 10.239 -2.674 1.00 0.00 H new ATOM 0 HB2 PRO A 35 2.294 9.290 -3.872 1.00 0.00 H new ATOM 0 HB3 PRO A 35 2.976 10.905 -3.901 1.00 0.00 H new ATOM 0 HG2 PRO A 35 3.010 9.385 -6.102 1.00 0.00 H new ATOM 0 HG3 PRO A 35 4.358 10.443 -5.734 1.00 0.00 H new ATOM 0 HD2 PRO A 35 4.176 7.459 -5.478 1.00 0.00 H new ATOM 0 HD3 PRO A 35 5.563 8.450 -5.886 1.00 0.00 H new ATOM 566 N VAL A 36 3.439 7.485 -1.823 1.00 0.00 N ATOM 567 CA VAL A 36 2.776 6.809 -0.666 1.00 0.00 C ATOM 568 C VAL A 36 3.761 5.854 0.018 1.00 0.00 C ATOM 569 O VAL A 36 4.779 5.493 -0.543 1.00 0.00 O ATOM 570 CB VAL A 36 1.601 6.035 -1.272 1.00 0.00 C ATOM 571 CG1 VAL A 36 0.836 5.306 -0.163 1.00 0.00 C ATOM 572 CG2 VAL A 36 0.653 7.010 -1.977 1.00 0.00 C ATOM 0 H VAL A 36 3.685 6.871 -2.599 1.00 0.00 H new ATOM 0 HA VAL A 36 2.442 7.517 0.092 1.00 0.00 H new ATOM 0 HB VAL A 36 1.984 5.310 -1.990 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.001 4.757 -0.598 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.505 4.610 0.343 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.457 6.033 0.556 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.182 6.458 -2.408 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.276 7.736 -1.256 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.190 7.531 -2.769 1.00 0.00 H new ATOM 582 N ILE A 37 3.448 5.423 1.214 1.00 0.00 N ATOM 583 CA ILE A 37 4.343 4.464 1.930 1.00 0.00 C ATOM 584 C ILE A 37 3.529 3.266 2.431 1.00 0.00 C ATOM 585 O ILE A 37 2.430 3.418 2.930 1.00 0.00 O ATOM 586 CB ILE A 37 4.922 5.255 3.109 1.00 0.00 C ATOM 587 CG1 ILE A 37 5.676 6.483 2.585 1.00 0.00 C ATOM 588 CG2 ILE A 37 5.891 4.369 3.900 1.00 0.00 C ATOM 589 CD1 ILE A 37 4.743 7.695 2.588 1.00 0.00 C ATOM 0 H ILE A 37 2.609 5.695 1.726 1.00 0.00 H new ATOM 0 HA ILE A 37 5.129 4.071 1.285 1.00 0.00 H new ATOM 0 HB ILE A 37 4.107 5.575 3.758 1.00 0.00 H new ATOM 0 HG12 ILE A 37 6.548 6.681 3.208 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.042 6.295 1.576 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.300 4.935 4.737 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.360 3.495 4.278 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.703 4.046 3.249 1.00 0.00 H new ATOM 0 HD11 ILE A 37 5.279 8.568 2.216 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.885 7.495 1.946 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.399 7.887 3.604 1.00 0.00 H new ATOM 601 N VAL A 38 4.071 2.079 2.313 1.00 0.00 N ATOM 602 CA VAL A 38 3.342 0.867 2.796 1.00 0.00 C ATOM 603 C VAL A 38 4.123 0.210 3.938 1.00 0.00 C ATOM 604 O VAL A 38 5.328 0.063 3.873 1.00 0.00 O ATOM 605 CB VAL A 38 3.268 -0.069 1.582 1.00 0.00 C ATOM 606 CG1 VAL A 38 2.503 -1.342 1.957 1.00 0.00 C ATOM 607 CG2 VAL A 38 2.540 0.634 0.431 1.00 0.00 C ATOM 0 H VAL A 38 4.987 1.898 1.903 1.00 0.00 H new ATOM 0 HA VAL A 38 2.350 1.105 3.181 1.00 0.00 H new ATOM 0 HB VAL A 38 4.280 -0.328 1.271 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.452 -2.004 1.093 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.018 -1.849 2.773 1.00 0.00 H new ATOM 0 HG13 VAL A 38 1.493 -1.080 2.273 1.00 0.00 H new ATOM 0 HG21 VAL A 38 2.489 -0.034 -0.429 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.530 0.897 0.746 1.00 0.00 H new ATOM 0 HG23 VAL A 38 3.082 1.539 0.157 1.00 0.00 H new ATOM 617 N ARG A 39 3.435 -0.213 4.969 1.00 0.00 N ATOM 618 CA ARG A 39 4.123 -0.895 6.106 1.00 0.00 C ATOM 619 C ARG A 39 3.789 -2.390 6.106 1.00 0.00 C ATOM 620 O ARG A 39 2.635 -2.775 6.120 1.00 0.00 O ATOM 621 CB ARG A 39 3.572 -0.222 7.364 1.00 0.00 C ATOM 622 CG ARG A 39 4.451 -0.583 8.564 1.00 0.00 C ATOM 623 CD ARG A 39 3.861 -1.799 9.283 1.00 0.00 C ATOM 624 NE ARG A 39 4.093 -1.540 10.738 1.00 0.00 N ATOM 625 CZ ARG A 39 4.087 -2.521 11.620 1.00 0.00 C ATOM 626 NH1 ARG A 39 3.835 -3.762 11.269 1.00 0.00 N ATOM 627 NH2 ARG A 39 4.338 -2.252 12.873 1.00 0.00 N ATOM 0 H ARG A 39 2.425 -0.115 5.072 1.00 0.00 H new ATOM 0 HA ARG A 39 5.208 -0.812 6.042 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.548 0.859 7.230 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.546 -0.544 7.542 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.466 -0.801 8.232 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.514 0.262 9.249 1.00 0.00 H new ATOM 0 HD2 ARG A 39 2.798 -1.908 9.066 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.348 -2.721 8.964 1.00 0.00 H new ATOM 0 HE ARG A 39 4.259 -0.585 11.055 1.00 0.00 H new ATOM 0 HH11 ARG A 39 3.638 -3.986 10.294 1.00 0.00 H new ATOM 0 HH12 ARG A 39 3.837 -4.501 11.972 1.00 0.00 H new ATOM 0 HH21 ARG A 39 4.535 -1.293 13.159 1.00 0.00 H new ATOM 0 HH22 ARG A 39 4.337 -3.001 13.566 1.00 0.00 H new ATOM 641 N PHE A 40 4.792 -3.229 6.103 1.00 0.00 N ATOM 642 CA PHE A 40 4.545 -4.702 6.118 1.00 0.00 C ATOM 643 C PHE A 40 4.752 -5.260 7.529 1.00 0.00 C ATOM 644 O PHE A 40 5.375 -4.633 8.366 1.00 0.00 O ATOM 645 CB PHE A 40 5.576 -5.288 5.154 1.00 0.00 C ATOM 646 CG PHE A 40 5.320 -4.763 3.762 1.00 0.00 C ATOM 647 CD1 PHE A 40 4.066 -4.941 3.166 1.00 0.00 C ATOM 648 CD2 PHE A 40 6.338 -4.100 3.066 1.00 0.00 C ATOM 649 CE1 PHE A 40 3.829 -4.454 1.874 1.00 0.00 C ATOM 650 CE2 PHE A 40 6.102 -3.614 1.775 1.00 0.00 C ATOM 651 CZ PHE A 40 4.847 -3.791 1.178 1.00 0.00 C ATOM 0 H PHE A 40 5.775 -2.957 6.091 1.00 0.00 H new ATOM 0 HA PHE A 40 3.525 -4.951 5.825 1.00 0.00 H new ATOM 0 HB2 PHE A 40 6.583 -5.021 5.475 1.00 0.00 H new ATOM 0 HB3 PHE A 40 5.518 -6.376 5.160 1.00 0.00 H new ATOM 0 HD1 PHE A 40 3.281 -5.454 3.702 1.00 0.00 H new ATOM 0 HD2 PHE A 40 7.306 -3.964 3.526 1.00 0.00 H new ATOM 0 HE1 PHE A 40 2.861 -4.590 1.415 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.888 -3.102 1.239 1.00 0.00 H new ATOM 0 HZ PHE A 40 4.665 -3.416 0.182 1.00 0.00 H new ATOM 661 N GLU A 41 4.291 -6.460 7.775 1.00 0.00 N ATOM 662 CA GLU A 41 4.520 -7.099 9.105 1.00 0.00 C ATOM 663 C GLU A 41 5.518 -8.253 8.973 1.00 0.00 C ATOM 664 O GLU A 41 6.234 -8.573 9.903 1.00 0.00 O ATOM 665 CB GLU A 41 3.149 -7.623 9.534 1.00 0.00 C ATOM 666 CG GLU A 41 2.298 -6.463 10.055 1.00 0.00 C ATOM 667 CD GLU A 41 1.792 -5.631 8.875 1.00 0.00 C ATOM 668 OE1 GLU A 41 1.082 -6.181 8.049 1.00 0.00 O ATOM 669 OE2 GLU A 41 2.124 -4.458 8.817 1.00 0.00 O ATOM 0 H GLU A 41 3.764 -7.026 7.110 1.00 0.00 H new ATOM 0 HA GLU A 41 4.936 -6.401 9.832 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.651 -8.103 8.691 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.264 -8.380 10.309 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.456 -6.846 10.631 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.887 -5.839 10.727 1.00 0.00 H new ATOM 676 N LYS A 42 5.566 -8.878 7.824 1.00 0.00 N ATOM 677 CA LYS A 42 6.512 -10.016 7.622 1.00 0.00 C ATOM 678 C LYS A 42 7.881 -9.494 7.179 1.00 0.00 C ATOM 679 O LYS A 42 7.992 -8.778 6.201 1.00 0.00 O ATOM 680 CB LYS A 42 5.880 -10.865 6.518 1.00 0.00 C ATOM 681 CG LYS A 42 6.494 -12.266 6.536 1.00 0.00 C ATOM 682 CD LYS A 42 5.467 -13.280 6.029 1.00 0.00 C ATOM 683 CE LYS A 42 4.361 -13.453 7.073 1.00 0.00 C ATOM 684 NZ LYS A 42 4.768 -14.645 7.870 1.00 0.00 N ATOM 0 H LYS A 42 4.989 -8.648 7.015 1.00 0.00 H new ATOM 0 HA LYS A 42 6.671 -10.588 8.536 1.00 0.00 H new ATOM 0 HB2 LYS A 42 4.802 -10.927 6.665 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.043 -10.398 5.547 1.00 0.00 H new ATOM 0 HG2 LYS A 42 7.386 -12.292 5.910 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.807 -12.524 7.548 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.041 -12.941 5.085 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.951 -14.237 5.834 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.271 -12.568 7.703 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.391 -13.607 6.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.058 -14.828 8.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.839 -15.473 7.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.691 -14.467 8.314 1.00 0.00 H new ATOM 698 N VAL A 43 8.930 -9.927 7.832 1.00 0.00 N ATOM 699 CA VAL A 43 10.305 -9.546 7.386 1.00 0.00 C ATOM 700 C VAL A 43 10.622 -10.197 6.035 1.00 0.00 C ATOM 701 O VAL A 43 9.788 -10.859 5.447 1.00 0.00 O ATOM 702 CB VAL A 43 11.251 -10.068 8.477 1.00 0.00 C ATOM 703 CG1 VAL A 43 10.925 -9.380 9.803 1.00 0.00 C ATOM 704 CG2 VAL A 43 11.083 -11.584 8.640 1.00 0.00 C ATOM 0 H VAL A 43 8.894 -10.528 8.655 1.00 0.00 H new ATOM 0 HA VAL A 43 10.407 -8.469 7.251 1.00 0.00 H new ATOM 0 HB VAL A 43 12.280 -9.851 8.189 1.00 0.00 H new ATOM 0 HG11 VAL A 43 11.596 -9.749 10.579 1.00 0.00 H new ATOM 0 HG12 VAL A 43 11.053 -8.303 9.695 1.00 0.00 H new ATOM 0 HG13 VAL A 43 9.894 -9.597 10.081 1.00 0.00 H new ATOM 0 HG21 VAL A 43 11.759 -11.944 9.416 1.00 0.00 H new ATOM 0 HG22 VAL A 43 10.054 -11.808 8.922 1.00 0.00 H new ATOM 0 HG23 VAL A 43 11.317 -12.079 7.698 1.00 0.00 H new ATOM 714 N ASN A 44 11.840 -10.068 5.576 1.00 0.00 N ATOM 715 CA ASN A 44 12.243 -10.739 4.303 1.00 0.00 C ATOM 716 C ASN A 44 13.712 -11.167 4.370 1.00 0.00 C ATOM 717 O ASN A 44 14.285 -11.279 5.437 1.00 0.00 O ATOM 718 CB ASN A 44 12.032 -9.685 3.207 1.00 0.00 C ATOM 719 CG ASN A 44 12.873 -8.436 3.501 1.00 0.00 C ATOM 720 OD1 ASN A 44 13.674 -8.423 4.415 1.00 0.00 O ATOM 721 ND2 ASN A 44 12.724 -7.377 2.753 1.00 0.00 N ATOM 0 H ASN A 44 12.575 -9.525 6.029 1.00 0.00 H new ATOM 0 HA ASN A 44 11.661 -11.641 4.112 1.00 0.00 H new ATOM 0 HB2 ASN A 44 12.309 -10.098 2.237 1.00 0.00 H new ATOM 0 HB3 ASN A 44 10.977 -9.416 3.149 1.00 0.00 H new ATOM 0 HD21 ASN A 44 13.279 -6.541 2.936 1.00 0.00 H new ATOM 0 HD22 ASN A 44 12.052 -7.385 1.985 1.00 0.00 H new ATOM 728 N TYR A 45 14.295 -11.489 3.243 1.00 0.00 N ATOM 729 CA TYR A 45 15.699 -12.010 3.242 1.00 0.00 C ATOM 730 C TYR A 45 16.653 -10.967 3.833 1.00 0.00 C ATOM 731 O TYR A 45 17.689 -11.302 4.377 1.00 0.00 O ATOM 732 CB TYR A 45 16.034 -12.265 1.770 1.00 0.00 C ATOM 733 CG TYR A 45 15.104 -13.318 1.215 1.00 0.00 C ATOM 734 CD1 TYR A 45 15.165 -14.630 1.700 1.00 0.00 C ATOM 735 CD2 TYR A 45 14.182 -12.982 0.218 1.00 0.00 C ATOM 736 CE1 TYR A 45 14.302 -15.606 1.187 1.00 0.00 C ATOM 737 CE2 TYR A 45 13.320 -13.958 -0.296 1.00 0.00 C ATOM 738 CZ TYR A 45 13.379 -15.270 0.189 1.00 0.00 C ATOM 739 OH TYR A 45 12.530 -16.232 -0.317 1.00 0.00 O ATOM 0 H TYR A 45 13.861 -11.414 2.323 1.00 0.00 H new ATOM 0 HA TYR A 45 15.800 -12.913 3.844 1.00 0.00 H new ATOM 0 HB2 TYR A 45 15.937 -11.342 1.199 1.00 0.00 H new ATOM 0 HB3 TYR A 45 17.069 -12.592 1.673 1.00 0.00 H new ATOM 0 HD1 TYR A 45 15.877 -14.889 2.469 1.00 0.00 H new ATOM 0 HD2 TYR A 45 14.135 -11.970 -0.155 1.00 0.00 H new ATOM 0 HE1 TYR A 45 14.348 -16.618 1.561 1.00 0.00 H new ATOM 0 HE2 TYR A 45 12.609 -13.699 -1.067 1.00 0.00 H new ATOM 0 HH TYR A 45 11.953 -15.832 -1.001 1.00 0.00 H new ATOM 749 N SER A 46 16.320 -9.708 3.709 1.00 0.00 N ATOM 750 CA SER A 46 17.215 -8.634 4.236 1.00 0.00 C ATOM 751 C SER A 46 16.883 -8.339 5.702 1.00 0.00 C ATOM 752 O SER A 46 17.729 -7.909 6.463 1.00 0.00 O ATOM 753 CB SER A 46 16.927 -7.414 3.364 1.00 0.00 C ATOM 754 OG SER A 46 16.845 -7.818 2.003 1.00 0.00 O ATOM 0 H SER A 46 15.464 -9.376 3.264 1.00 0.00 H new ATOM 0 HA SER A 46 18.266 -8.919 4.201 1.00 0.00 H new ATOM 0 HB2 SER A 46 15.993 -6.944 3.673 1.00 0.00 H new ATOM 0 HB3 SER A 46 17.714 -6.670 3.488 1.00 0.00 H new ATOM 0 HG SER A 46 16.658 -7.037 1.441 1.00 0.00 H new ATOM 760 N GLY A 47 15.651 -8.543 6.091 1.00 0.00 N ATOM 761 CA GLY A 47 15.245 -8.249 7.497 1.00 0.00 C ATOM 762 C GLY A 47 14.607 -6.860 7.566 1.00 0.00 C ATOM 763 O GLY A 47 14.788 -6.132 8.524 1.00 0.00 O ATOM 0 H GLY A 47 14.907 -8.902 5.493 1.00 0.00 H new ATOM 0 HA2 GLY A 47 14.540 -9.002 7.848 1.00 0.00 H new ATOM 0 HA3 GLY A 47 16.113 -8.295 8.154 1.00 0.00 H new ATOM 767 N ILE A 55 13.865 -6.489 6.552 1.00 0.00 N ATOM 768 CA ILE A 55 13.214 -5.144 6.546 1.00 0.00 C ATOM 769 C ILE A 55 11.744 -5.275 6.960 1.00 0.00 C ATOM 770 O ILE A 55 11.187 -6.356 6.966 1.00 0.00 O ATOM 771 CB ILE A 55 13.328 -4.650 5.099 1.00 0.00 C ATOM 772 CG1 ILE A 55 14.805 -4.559 4.701 1.00 0.00 C ATOM 773 CG2 ILE A 55 12.689 -3.265 4.974 1.00 0.00 C ATOM 774 CD1 ILE A 55 14.919 -4.506 3.177 1.00 0.00 C ATOM 0 H ILE A 55 13.682 -7.061 5.727 1.00 0.00 H new ATOM 0 HA ILE A 55 13.683 -4.451 7.245 1.00 0.00 H new ATOM 0 HB ILE A 55 12.813 -5.351 4.442 1.00 0.00 H new ATOM 0 HG12 ILE A 55 15.257 -3.671 5.141 1.00 0.00 H new ATOM 0 HG13 ILE A 55 15.351 -5.420 5.088 1.00 0.00 H new ATOM 0 HG21 ILE A 55 12.772 -2.918 3.944 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.637 -3.323 5.254 1.00 0.00 H new ATOM 0 HG23 ILE A 55 13.202 -2.567 5.635 1.00 0.00 H new ATOM 0 HD11 ILE A 55 15.969 -4.441 2.893 1.00 0.00 H new ATOM 0 HD12 ILE A 55 14.482 -5.408 2.748 1.00 0.00 H new ATOM 0 HD13 ILE A 55 14.387 -3.631 2.803 1.00 0.00 H new ATOM 786 N ASN A 56 11.121 -4.179 7.315 1.00 0.00 N ATOM 787 CA ASN A 56 9.690 -4.232 7.746 1.00 0.00 C ATOM 788 C ASN A 56 8.859 -3.200 6.974 1.00 0.00 C ATOM 789 O ASN A 56 7.717 -3.446 6.631 1.00 0.00 O ATOM 790 CB ASN A 56 9.706 -3.907 9.245 1.00 0.00 C ATOM 791 CG ASN A 56 10.336 -2.530 9.479 1.00 0.00 C ATOM 792 OD1 ASN A 56 11.526 -2.357 9.304 1.00 0.00 O ATOM 793 ND2 ASN A 56 9.583 -1.539 9.867 1.00 0.00 N ATOM 0 H ASN A 56 11.541 -3.250 7.325 1.00 0.00 H new ATOM 0 HA ASN A 56 9.240 -5.205 7.550 1.00 0.00 H new ATOM 0 HB2 ASN A 56 8.690 -3.922 9.639 1.00 0.00 H new ATOM 0 HB3 ASN A 56 10.268 -4.669 9.784 1.00 0.00 H new ATOM 0 HD21 ASN A 56 9.993 -0.618 10.024 1.00 0.00 H new ATOM 0 HD22 ASN A 56 8.584 -1.685 10.014 1.00 0.00 H new ATOM 800 N THR A 57 9.400 -2.027 6.756 1.00 0.00 N ATOM 801 CA THR A 57 8.620 -0.952 6.071 1.00 0.00 C ATOM 802 C THR A 57 9.227 -0.646 4.700 1.00 0.00 C ATOM 803 O THR A 57 10.418 -0.788 4.495 1.00 0.00 O ATOM 804 CB THR A 57 8.733 0.265 6.992 1.00 0.00 C ATOM 805 OG1 THR A 57 10.070 0.381 7.458 1.00 0.00 O ATOM 806 CG2 THR A 57 7.789 0.097 8.183 1.00 0.00 C ATOM 0 H THR A 57 10.350 -1.768 7.023 1.00 0.00 H new ATOM 0 HA THR A 57 7.583 -1.240 5.899 1.00 0.00 H new ATOM 0 HB THR A 57 8.460 1.164 6.440 1.00 0.00 H new ATOM 0 HG1 THR A 57 10.145 1.161 8.047 1.00 0.00 H new ATOM 0 HG21 THR A 57 7.871 0.965 8.838 1.00 0.00 H new ATOM 0 HG22 THR A 57 6.763 0.008 7.825 1.00 0.00 H new ATOM 0 HG23 THR A 57 8.059 -0.802 8.737 1.00 0.00 H new ATOM 814 N ASN A 58 8.429 -0.151 3.788 1.00 0.00 N ATOM 815 CA ASN A 58 8.966 0.256 2.455 1.00 0.00 C ATOM 816 C ASN A 58 8.153 1.424 1.891 1.00 0.00 C ATOM 817 O ASN A 58 7.370 2.040 2.591 1.00 0.00 O ATOM 818 CB ASN A 58 8.811 -0.983 1.570 1.00 0.00 C ATOM 819 CG ASN A 58 10.128 -1.761 1.542 1.00 0.00 C ATOM 820 OD1 ASN A 58 10.532 -2.329 2.538 1.00 0.00 O ATOM 821 ND2 ASN A 58 10.818 -1.813 0.436 1.00 0.00 N ATOM 0 H ASN A 58 7.426 -0.011 3.910 1.00 0.00 H new ATOM 0 HA ASN A 58 10.002 0.589 2.512 1.00 0.00 H new ATOM 0 HB2 ASN A 58 8.010 -1.617 1.951 1.00 0.00 H new ATOM 0 HB3 ASN A 58 8.530 -0.688 0.559 1.00 0.00 H new ATOM 0 HD21 ASN A 58 11.697 -2.330 0.407 1.00 0.00 H new ATOM 0 HD22 ASN A 58 10.479 -1.336 -0.400 1.00 0.00 H new ATOM 828 N ASN A 59 8.339 1.737 0.634 1.00 0.00 N ATOM 829 CA ASN A 59 7.588 2.872 0.018 1.00 0.00 C ATOM 830 C ASN A 59 7.037 2.464 -1.351 1.00 0.00 C ATOM 831 O ASN A 59 7.757 1.959 -2.191 1.00 0.00 O ATOM 832 CB ASN A 59 8.616 3.993 -0.130 1.00 0.00 C ATOM 833 CG ASN A 59 9.055 4.470 1.255 1.00 0.00 C ATOM 834 OD1 ASN A 59 9.678 3.734 1.996 1.00 0.00 O ATOM 835 ND2 ASN A 59 8.755 5.681 1.641 1.00 0.00 N ATOM 0 H ASN A 59 8.981 1.254 0.006 1.00 0.00 H new ATOM 0 HA ASN A 59 6.735 3.178 0.623 1.00 0.00 H new ATOM 0 HB2 ASN A 59 9.478 3.638 -0.694 1.00 0.00 H new ATOM 0 HB3 ASN A 59 8.187 4.822 -0.693 1.00 0.00 H new ATOM 0 HD21 ASN A 59 9.043 6.008 2.563 1.00 0.00 H new ATOM 0 HD22 ASN A 59 8.233 6.299 1.020 1.00 0.00 H new ATOM 842 N PHE A 60 5.782 2.744 -1.601 1.00 0.00 N ATOM 843 CA PHE A 60 5.196 2.446 -2.943 1.00 0.00 C ATOM 844 C PHE A 60 4.365 3.635 -3.432 1.00 0.00 C ATOM 845 O PHE A 60 3.942 4.469 -2.654 1.00 0.00 O ATOM 846 CB PHE A 60 4.303 1.223 -2.725 1.00 0.00 C ATOM 847 CG PHE A 60 5.148 0.053 -2.280 1.00 0.00 C ATOM 848 CD1 PHE A 60 5.504 -0.080 -0.933 1.00 0.00 C ATOM 849 CD2 PHE A 60 5.574 -0.900 -3.214 1.00 0.00 C ATOM 850 CE1 PHE A 60 6.286 -1.164 -0.519 1.00 0.00 C ATOM 851 CE2 PHE A 60 6.355 -1.985 -2.799 1.00 0.00 C ATOM 852 CZ PHE A 60 6.711 -2.117 -1.452 1.00 0.00 C ATOM 0 H PHE A 60 5.138 3.167 -0.933 1.00 0.00 H new ATOM 0 HA PHE A 60 5.963 2.262 -3.696 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.544 1.443 -1.974 1.00 0.00 H new ATOM 0 HB3 PHE A 60 3.777 0.975 -3.647 1.00 0.00 H new ATOM 0 HD1 PHE A 60 5.175 0.654 -0.213 1.00 0.00 H new ATOM 0 HD2 PHE A 60 5.300 -0.798 -4.254 1.00 0.00 H new ATOM 0 HE1 PHE A 60 6.562 -1.265 0.520 1.00 0.00 H new ATOM 0 HE2 PHE A 60 6.683 -2.721 -3.519 1.00 0.00 H new ATOM 0 HZ PHE A 60 7.314 -2.954 -1.132 1.00 0.00 H new ATOM 862 N ALA A 61 4.119 3.709 -4.715 1.00 0.00 N ATOM 863 CA ALA A 61 3.303 4.832 -5.265 1.00 0.00 C ATOM 864 C ALA A 61 1.813 4.479 -5.211 1.00 0.00 C ATOM 865 O ALA A 61 1.440 3.322 -5.250 1.00 0.00 O ATOM 866 CB ALA A 61 3.766 4.988 -6.714 1.00 0.00 C ATOM 0 H ALA A 61 4.450 3.037 -5.408 1.00 0.00 H new ATOM 0 HA ALA A 61 3.432 5.753 -4.696 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.211 5.797 -7.188 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.831 5.219 -6.733 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.587 4.059 -7.255 1.00 0.00 H new ATOM 872 N GLU A 62 0.964 5.470 -5.106 1.00 0.00 N ATOM 873 CA GLU A 62 -0.506 5.199 -5.027 1.00 0.00 C ATOM 874 C GLU A 62 -0.983 4.484 -6.296 1.00 0.00 C ATOM 875 O GLU A 62 -1.879 3.661 -6.254 1.00 0.00 O ATOM 876 CB GLU A 62 -1.170 6.576 -4.896 1.00 0.00 C ATOM 877 CG GLU A 62 -0.817 7.451 -6.105 1.00 0.00 C ATOM 878 CD GLU A 62 -1.892 7.294 -7.181 1.00 0.00 C ATOM 879 OE1 GLU A 62 -3.058 7.433 -6.849 1.00 0.00 O ATOM 880 OE2 GLU A 62 -1.532 7.037 -8.318 1.00 0.00 O ATOM 0 H GLU A 62 1.224 6.456 -5.071 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.758 4.552 -4.186 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.252 6.461 -4.824 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.840 7.061 -3.978 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.741 8.495 -5.802 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.156 7.163 -6.504 1.00 0.00 H new ATOM 887 N ASP A 63 -0.348 4.748 -7.410 1.00 0.00 N ATOM 888 CA ASP A 63 -0.716 4.036 -8.674 1.00 0.00 C ATOM 889 C ASP A 63 -0.304 2.560 -8.599 1.00 0.00 C ATOM 890 O ASP A 63 -0.840 1.725 -9.304 1.00 0.00 O ATOM 891 CB ASP A 63 0.054 4.759 -9.788 1.00 0.00 C ATOM 892 CG ASP A 63 1.559 4.706 -9.507 1.00 0.00 C ATOM 893 OD1 ASP A 63 2.090 3.611 -9.432 1.00 0.00 O ATOM 894 OD2 ASP A 63 2.153 5.764 -9.374 1.00 0.00 O ATOM 0 H ASP A 63 0.409 5.425 -7.500 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.791 4.052 -8.852 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.161 4.294 -10.750 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.275 5.796 -9.854 1.00 0.00 H new ATOM 899 N GLU A 64 0.653 2.236 -7.764 1.00 0.00 N ATOM 900 CA GLU A 64 1.115 0.819 -7.658 1.00 0.00 C ATOM 901 C GLU A 64 0.417 0.118 -6.489 1.00 0.00 C ATOM 902 O GLU A 64 0.933 -0.832 -5.930 1.00 0.00 O ATOM 903 CB GLU A 64 2.620 0.912 -7.405 1.00 0.00 C ATOM 904 CG GLU A 64 3.358 1.056 -8.740 1.00 0.00 C ATOM 905 CD GLU A 64 4.541 2.014 -8.574 1.00 0.00 C ATOM 906 OE1 GLU A 64 5.121 2.030 -7.500 1.00 0.00 O ATOM 907 OE2 GLU A 64 4.847 2.715 -9.524 1.00 0.00 O ATOM 0 H GLU A 64 1.134 2.894 -7.151 1.00 0.00 H new ATOM 0 HA GLU A 64 0.886 0.243 -8.554 1.00 0.00 H new ATOM 0 HB2 GLU A 64 2.839 1.765 -6.763 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.967 0.021 -6.881 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.711 0.082 -9.079 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.678 1.432 -9.504 1.00 0.00 H new ATOM 914 N LEU A 65 -0.771 0.550 -6.148 1.00 0.00 N ATOM 915 CA LEU A 65 -1.531 -0.120 -5.051 1.00 0.00 C ATOM 916 C LEU A 65 -3.006 -0.259 -5.439 1.00 0.00 C ATOM 917 O LEU A 65 -3.617 0.672 -5.929 1.00 0.00 O ATOM 918 CB LEU A 65 -1.381 0.802 -3.841 1.00 0.00 C ATOM 919 CG LEU A 65 0.068 0.770 -3.350 1.00 0.00 C ATOM 920 CD1 LEU A 65 0.254 1.804 -2.239 1.00 0.00 C ATOM 921 CD2 LEU A 65 0.391 -0.624 -2.807 1.00 0.00 C ATOM 0 H LEU A 65 -1.248 1.340 -6.584 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.159 -1.124 -4.846 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.663 1.820 -4.109 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.053 0.485 -3.044 1.00 0.00 H new ATOM 0 HG LEU A 65 0.737 1.003 -4.178 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.286 1.781 -1.890 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.023 2.797 -2.624 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.415 1.572 -1.410 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.423 -0.648 -2.457 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.279 -0.856 -1.979 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.259 -1.362 -3.598 1.00 0.00 H new ATOM 933 N VAL A 66 -3.591 -1.401 -5.179 1.00 0.00 N ATOM 934 CA VAL A 66 -5.042 -1.592 -5.479 1.00 0.00 C ATOM 935 C VAL A 66 -5.851 -1.592 -4.177 1.00 0.00 C ATOM 936 O VAL A 66 -5.403 -2.085 -3.160 1.00 0.00 O ATOM 937 CB VAL A 66 -5.132 -2.956 -6.173 1.00 0.00 C ATOM 938 CG1 VAL A 66 -6.589 -3.254 -6.540 1.00 0.00 C ATOM 939 CG2 VAL A 66 -4.286 -2.939 -7.450 1.00 0.00 C ATOM 0 H VAL A 66 -3.125 -2.211 -4.771 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.445 -0.795 -6.104 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.761 -3.726 -5.497 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.649 -4.224 -7.033 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -7.196 -3.269 -5.635 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -6.960 -2.481 -7.213 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.351 -3.909 -7.942 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.657 -2.165 -8.122 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.247 -2.730 -7.195 1.00 0.00 H new ATOM 949 N GLU A 67 -7.045 -1.057 -4.212 1.00 0.00 N ATOM 950 CA GLU A 67 -7.899 -1.038 -2.987 1.00 0.00 C ATOM 951 C GLU A 67 -8.626 -2.377 -2.828 1.00 0.00 C ATOM 952 O GLU A 67 -9.224 -2.881 -3.760 1.00 0.00 O ATOM 953 CB GLU A 67 -8.902 0.092 -3.221 1.00 0.00 C ATOM 954 CG GLU A 67 -9.180 0.811 -1.898 1.00 0.00 C ATOM 955 CD GLU A 67 -10.395 0.177 -1.218 1.00 0.00 C ATOM 956 OE1 GLU A 67 -11.455 0.181 -1.821 1.00 0.00 O ATOM 957 OE2 GLU A 67 -10.244 -0.302 -0.107 1.00 0.00 O ATOM 0 H GLU A 67 -7.466 -0.632 -5.038 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.316 -0.884 -2.079 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.508 0.796 -3.954 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.829 -0.309 -3.631 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.309 0.745 -1.246 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -9.363 1.870 -2.079 1.00 0.00 H new ATOM 964 N VAL A 68 -8.602 -2.937 -1.645 1.00 0.00 N ATOM 965 CA VAL A 68 -9.317 -4.227 -1.405 1.00 0.00 C ATOM 966 C VAL A 68 -9.971 -4.224 -0.021 1.00 0.00 C ATOM 967 O VAL A 68 -9.807 -5.147 0.754 1.00 0.00 O ATOM 968 CB VAL A 68 -8.237 -5.313 -1.494 1.00 0.00 C ATOM 969 CG1 VAL A 68 -7.637 -5.319 -2.901 1.00 0.00 C ATOM 970 CG2 VAL A 68 -7.128 -5.038 -0.470 1.00 0.00 C ATOM 0 H VAL A 68 -8.117 -2.555 -0.833 1.00 0.00 H new ATOM 0 HA VAL A 68 -10.115 -4.393 -2.129 1.00 0.00 H new ATOM 0 HB VAL A 68 -8.688 -6.282 -1.281 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.869 -6.090 -2.966 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.421 -5.525 -3.630 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.193 -4.346 -3.111 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.366 -5.814 -0.541 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -6.677 -4.067 -0.674 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.552 -5.037 0.534 1.00 0.00 H new