USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 741 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 29 THR OG1 : rot 80:sc= 0.798 USER MOD Set 1.2: A 32 CYS SG : rot 180:sc= -1.22 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -165:sc= -1.58! (180deg=-2.25!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 MET CE :methyl 173:sc= -1.12 (180deg=-1.18) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -149:sc= -0.236 (180deg=-1.33!) USER MOD Single : A 45 GLN : amide:sc= -0.15 K(o=-0.15,f=-1.2!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.855 K(o=-0.86,f=-3.3!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 62:sc= 0.659 USER MOD Single : A 63 THR OG1 : rot -7:sc= -1.22! USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN :FLIP amide:sc= 0 F(o=-0.55,f=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot -43:sc= 1.12 USER MOD Single : A 75 SER OG : rot 20:sc= -0.362 USER MOD Single : A 77 GLN : amide:sc= 0 K(o=0,f=-2.3!) USER MOD Single : A 78 THR OG1 : rot 5:sc= -0.105! USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -5.46! C(o=-5.5!,f=-7.3!) USER MOD Single : A 86 GLN : amide:sc= -0.0171 K(o=-0.017,f=-1.6!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : B 5 SER OG : rot -60:sc= -1.95 USER MOD ----------------------------------------------------------------- ATOM 86 N VAL A 6 89.884 5.139 -10.509 1.00 0.00 N ATOM 87 CA VAL A 6 89.577 4.458 -9.209 1.00 0.00 C ATOM 88 C VAL A 6 88.512 3.384 -9.447 1.00 0.00 C ATOM 89 O VAL A 6 87.572 3.587 -10.189 1.00 0.00 O ATOM 90 CB VAL A 6 89.047 5.489 -8.212 1.00 0.00 C ATOM 91 CG1 VAL A 6 88.800 4.817 -6.861 1.00 0.00 C ATOM 92 CG2 VAL A 6 90.079 6.606 -8.041 1.00 0.00 C ATOM 0 HA VAL A 6 90.480 3.997 -8.809 1.00 0.00 H new ATOM 0 HB VAL A 6 88.112 5.907 -8.585 1.00 0.00 H new ATOM 0 HG11 VAL A 6 88.422 5.554 -6.152 1.00 0.00 H new ATOM 0 HG12 VAL A 6 88.067 4.019 -6.980 1.00 0.00 H new ATOM 0 HG13 VAL A 6 89.734 4.399 -6.486 1.00 0.00 H new ATOM 0 HG21 VAL A 6 89.704 7.343 -7.331 1.00 0.00 H new ATOM 0 HG22 VAL A 6 91.013 6.185 -7.668 1.00 0.00 H new ATOM 0 HG23 VAL A 6 90.257 7.087 -9.003 1.00 0.00 H new ATOM 102 N SER A 7 88.652 2.238 -8.833 1.00 0.00 N ATOM 103 CA SER A 7 87.647 1.152 -9.036 1.00 0.00 C ATOM 104 C SER A 7 86.518 1.286 -8.012 1.00 0.00 C ATOM 105 O SER A 7 86.718 1.131 -6.825 1.00 0.00 O ATOM 106 CB SER A 7 88.327 -0.205 -8.870 1.00 0.00 C ATOM 107 OG SER A 7 89.617 -0.161 -9.465 1.00 0.00 O ATOM 0 H SER A 7 89.418 2.007 -8.200 1.00 0.00 H new ATOM 0 HA SER A 7 87.229 1.233 -10.040 1.00 0.00 H new ATOM 0 HB2 SER A 7 88.410 -0.456 -7.813 1.00 0.00 H new ATOM 0 HB3 SER A 7 87.725 -0.985 -9.336 1.00 0.00 H new ATOM 0 HG SER A 7 90.056 -1.030 -9.358 1.00 0.00 H new ATOM 113 N PHE A 8 85.333 1.561 -8.474 1.00 0.00 N ATOM 114 CA PHE A 8 84.164 1.708 -7.553 1.00 0.00 C ATOM 115 C PHE A 8 83.486 0.341 -7.376 1.00 0.00 C ATOM 116 O PHE A 8 83.652 -0.555 -8.180 1.00 0.00 O ATOM 117 CB PHE A 8 83.159 2.710 -8.161 1.00 0.00 C ATOM 118 CG PHE A 8 83.888 3.703 -9.041 1.00 0.00 C ATOM 119 CD1 PHE A 8 84.601 4.760 -8.464 1.00 0.00 C ATOM 120 CD2 PHE A 8 83.845 3.566 -10.434 1.00 0.00 C ATOM 121 CE1 PHE A 8 85.272 5.679 -9.280 1.00 0.00 C ATOM 122 CE2 PHE A 8 84.516 4.484 -11.250 1.00 0.00 C ATOM 123 CZ PHE A 8 85.229 5.541 -10.673 1.00 0.00 C ATOM 0 H PHE A 8 85.117 1.693 -9.462 1.00 0.00 H new ATOM 0 HA PHE A 8 84.501 2.076 -6.584 1.00 0.00 H new ATOM 0 HB2 PHE A 8 82.409 2.177 -8.744 1.00 0.00 H new ATOM 0 HB3 PHE A 8 82.630 3.236 -7.366 1.00 0.00 H new ATOM 0 HD1 PHE A 8 84.634 4.867 -7.390 1.00 0.00 H new ATOM 0 HD2 PHE A 8 83.293 2.751 -10.879 1.00 0.00 H new ATOM 0 HE1 PHE A 8 85.823 6.494 -8.835 1.00 0.00 H new ATOM 0 HE2 PHE A 8 84.484 4.377 -12.324 1.00 0.00 H new ATOM 0 HZ PHE A 8 85.746 6.250 -11.302 1.00 0.00 H new ATOM 133 N PHE A 9 82.710 0.184 -6.337 1.00 0.00 N ATOM 134 CA PHE A 9 81.999 -1.111 -6.104 1.00 0.00 C ATOM 135 C PHE A 9 80.615 -0.800 -5.531 1.00 0.00 C ATOM 136 O PHE A 9 80.488 -0.118 -4.534 1.00 0.00 O ATOM 137 CB PHE A 9 82.791 -1.969 -5.104 1.00 0.00 C ATOM 138 CG PHE A 9 83.897 -2.715 -5.819 1.00 0.00 C ATOM 139 CD1 PHE A 9 85.113 -2.077 -6.088 1.00 0.00 C ATOM 140 CD2 PHE A 9 83.704 -4.046 -6.209 1.00 0.00 C ATOM 141 CE1 PHE A 9 86.136 -2.769 -6.747 1.00 0.00 C ATOM 142 CE2 PHE A 9 84.727 -4.739 -6.868 1.00 0.00 C ATOM 143 CZ PHE A 9 85.943 -4.100 -7.137 1.00 0.00 C ATOM 0 H PHE A 9 82.536 0.902 -5.633 1.00 0.00 H new ATOM 0 HA PHE A 9 81.906 -1.661 -7.040 1.00 0.00 H new ATOM 0 HB2 PHE A 9 83.214 -1.335 -4.325 1.00 0.00 H new ATOM 0 HB3 PHE A 9 82.124 -2.677 -4.612 1.00 0.00 H new ATOM 0 HD1 PHE A 9 85.262 -1.051 -5.787 1.00 0.00 H new ATOM 0 HD2 PHE A 9 82.765 -4.538 -6.001 1.00 0.00 H new ATOM 0 HE1 PHE A 9 87.074 -2.276 -6.955 1.00 0.00 H new ATOM 0 HE2 PHE A 9 84.578 -5.766 -7.168 1.00 0.00 H new ATOM 0 HZ PHE A 9 86.732 -4.634 -7.645 1.00 0.00 H new ATOM 153 N LEU A 10 79.575 -1.285 -6.152 1.00 0.00 N ATOM 154 CA LEU A 10 78.211 -0.998 -5.631 1.00 0.00 C ATOM 155 C LEU A 10 77.931 -1.876 -4.423 1.00 0.00 C ATOM 156 O LEU A 10 77.636 -3.049 -4.542 1.00 0.00 O ATOM 157 CB LEU A 10 77.160 -1.272 -6.719 1.00 0.00 C ATOM 158 CG LEU A 10 75.716 -1.062 -6.152 1.00 0.00 C ATOM 159 CD1 LEU A 10 74.930 -0.093 -7.042 1.00 0.00 C ATOM 160 CD2 LEU A 10 74.961 -2.400 -6.107 1.00 0.00 C ATOM 0 H LEU A 10 79.611 -1.863 -6.991 1.00 0.00 H new ATOM 0 HA LEU A 10 78.157 0.051 -5.340 1.00 0.00 H new ATOM 0 HB2 LEU A 10 77.324 -0.607 -7.567 1.00 0.00 H new ATOM 0 HB3 LEU A 10 77.267 -2.292 -7.088 1.00 0.00 H new ATOM 0 HG LEU A 10 75.806 -0.652 -5.146 1.00 0.00 H new ATOM 0 HD11 LEU A 10 73.928 0.043 -6.635 1.00 0.00 H new ATOM 0 HD12 LEU A 10 75.442 0.869 -7.074 1.00 0.00 H new ATOM 0 HD13 LEU A 10 74.860 -0.501 -8.050 1.00 0.00 H new ATOM 0 HD21 LEU A 10 73.958 -2.239 -5.711 1.00 0.00 H new ATOM 0 HD22 LEU A 10 74.891 -2.812 -7.114 1.00 0.00 H new ATOM 0 HD23 LEU A 10 75.497 -3.099 -5.465 1.00 0.00 H new ATOM 172 N VAL A 11 78.001 -1.297 -3.256 1.00 0.00 N ATOM 173 CA VAL A 11 77.717 -2.052 -2.005 1.00 0.00 C ATOM 174 C VAL A 11 76.481 -1.429 -1.375 1.00 0.00 C ATOM 175 O VAL A 11 76.206 -0.263 -1.576 1.00 0.00 O ATOM 176 CB VAL A 11 78.904 -1.939 -1.044 1.00 0.00 C ATOM 177 CG1 VAL A 11 80.189 -2.383 -1.756 1.00 0.00 C ATOM 178 CG2 VAL A 11 79.057 -0.489 -0.573 1.00 0.00 C ATOM 0 H VAL A 11 78.247 -0.317 -3.115 1.00 0.00 H new ATOM 0 HA VAL A 11 77.554 -3.108 -2.220 1.00 0.00 H new ATOM 0 HB VAL A 11 78.726 -2.581 -0.181 1.00 0.00 H new ATOM 0 HG11 VAL A 11 81.032 -2.302 -1.070 1.00 0.00 H new ATOM 0 HG12 VAL A 11 80.085 -3.418 -2.082 1.00 0.00 H new ATOM 0 HG13 VAL A 11 80.364 -1.745 -2.623 1.00 0.00 H new ATOM 0 HG21 VAL A 11 79.903 -0.416 0.110 1.00 0.00 H new ATOM 0 HG22 VAL A 11 79.229 0.157 -1.434 1.00 0.00 H new ATOM 0 HG23 VAL A 11 78.148 -0.175 -0.060 1.00 0.00 H new ATOM 188 N LYS A 12 75.732 -2.184 -0.622 1.00 0.00 N ATOM 189 CA LYS A 12 74.504 -1.624 0.017 1.00 0.00 C ATOM 190 C LYS A 12 74.764 -1.468 1.508 1.00 0.00 C ATOM 191 O LYS A 12 75.496 -2.232 2.107 1.00 0.00 O ATOM 192 CB LYS A 12 73.313 -2.573 -0.239 1.00 0.00 C ATOM 193 CG LYS A 12 72.444 -2.029 -1.382 1.00 0.00 C ATOM 194 CD LYS A 12 71.494 -3.125 -1.863 1.00 0.00 C ATOM 195 CE LYS A 12 70.693 -2.630 -3.064 1.00 0.00 C ATOM 196 NZ LYS A 12 70.108 -3.796 -3.785 1.00 0.00 N ATOM 0 H LYS A 12 75.916 -3.167 -0.420 1.00 0.00 H new ATOM 0 HA LYS A 12 74.260 -0.650 -0.407 1.00 0.00 H new ATOM 0 HB2 LYS A 12 73.678 -3.569 -0.491 1.00 0.00 H new ATOM 0 HB3 LYS A 12 72.716 -2.673 0.667 1.00 0.00 H new ATOM 0 HG2 LYS A 12 71.876 -1.164 -1.041 1.00 0.00 H new ATOM 0 HG3 LYS A 12 73.075 -1.692 -2.205 1.00 0.00 H new ATOM 0 HD2 LYS A 12 72.061 -4.015 -2.135 1.00 0.00 H new ATOM 0 HD3 LYS A 12 70.818 -3.411 -1.057 1.00 0.00 H new ATOM 0 HE2 LYS A 12 69.901 -1.958 -2.734 1.00 0.00 H new ATOM 0 HE3 LYS A 12 71.337 -2.060 -3.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 69.562 -3.460 -4.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 70.872 -4.421 -4.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 69.481 -4.322 -3.143 1.00 0.00 H new ATOM 210 N GLU A 13 74.174 -0.468 2.101 1.00 0.00 N ATOM 211 CA GLU A 13 74.375 -0.214 3.558 1.00 0.00 C ATOM 212 C GLU A 13 73.035 -0.297 4.278 1.00 0.00 C ATOM 213 O GLU A 13 71.983 -0.192 3.677 1.00 0.00 O ATOM 214 CB GLU A 13 74.957 1.184 3.752 1.00 0.00 C ATOM 215 CG GLU A 13 76.260 1.309 2.961 1.00 0.00 C ATOM 216 CD GLU A 13 76.934 2.640 3.297 1.00 0.00 C ATOM 217 OE1 GLU A 13 76.252 3.651 3.269 1.00 0.00 O ATOM 218 OE2 GLU A 13 78.122 2.626 3.577 1.00 0.00 O ATOM 0 H GLU A 13 73.553 0.193 1.634 1.00 0.00 H new ATOM 0 HA GLU A 13 75.058 -0.960 3.964 1.00 0.00 H new ATOM 0 HB2 GLU A 13 74.243 1.936 3.418 1.00 0.00 H new ATOM 0 HB3 GLU A 13 75.142 1.369 4.810 1.00 0.00 H new ATOM 0 HG2 GLU A 13 76.926 0.481 3.203 1.00 0.00 H new ATOM 0 HG3 GLU A 13 76.056 1.252 1.892 1.00 0.00 H new ATOM 225 N LYS A 14 73.072 -0.480 5.568 1.00 0.00 N ATOM 226 CA LYS A 14 71.819 -0.569 6.369 1.00 0.00 C ATOM 227 C LYS A 14 71.662 0.726 7.163 1.00 0.00 C ATOM 228 O LYS A 14 72.285 0.921 8.188 1.00 0.00 O ATOM 229 CB LYS A 14 71.910 -1.761 7.338 1.00 0.00 C ATOM 230 CG LYS A 14 72.564 -2.970 6.647 1.00 0.00 C ATOM 231 CD LYS A 14 71.691 -3.475 5.485 1.00 0.00 C ATOM 232 CE LYS A 14 70.310 -3.915 6.002 1.00 0.00 C ATOM 233 NZ LYS A 14 70.434 -4.472 7.379 1.00 0.00 N ATOM 0 H LYS A 14 73.931 -0.573 6.110 1.00 0.00 H new ATOM 0 HA LYS A 14 70.962 -0.712 5.711 1.00 0.00 H new ATOM 0 HB2 LYS A 14 72.490 -1.479 8.217 1.00 0.00 H new ATOM 0 HB3 LYS A 14 70.913 -2.030 7.687 1.00 0.00 H new ATOM 0 HG2 LYS A 14 73.549 -2.691 6.273 1.00 0.00 H new ATOM 0 HG3 LYS A 14 72.713 -3.771 7.371 1.00 0.00 H new ATOM 0 HD2 LYS A 14 71.574 -2.687 4.741 1.00 0.00 H new ATOM 0 HD3 LYS A 14 72.184 -4.311 4.989 1.00 0.00 H new ATOM 0 HE2 LYS A 14 69.626 -3.066 6.005 1.00 0.00 H new ATOM 0 HE3 LYS A 14 69.885 -4.665 5.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 69.567 -4.992 7.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 71.248 -5.117 7.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 70.573 -3.695 8.056 1.00 0.00 H new ATOM 351 N LEU A 21 67.558 -0.916 2.150 1.00 0.00 N ATOM 352 CA LEU A 21 69.048 -0.927 2.051 1.00 0.00 C ATOM 353 C LEU A 21 69.460 0.345 1.318 1.00 0.00 C ATOM 354 O LEU A 21 68.668 0.922 0.599 1.00 0.00 O ATOM 355 CB LEU A 21 69.533 -2.157 1.251 1.00 0.00 C ATOM 356 CG LEU A 21 68.722 -3.410 1.622 1.00 0.00 C ATOM 357 CD1 LEU A 21 68.958 -4.502 0.577 1.00 0.00 C ATOM 358 CD2 LEU A 21 69.171 -3.926 2.988 1.00 0.00 C ATOM 0 HA LEU A 21 69.490 -0.976 3.046 1.00 0.00 H new ATOM 0 HB2 LEU A 21 69.438 -1.961 0.183 1.00 0.00 H new ATOM 0 HB3 LEU A 21 70.590 -2.331 1.451 1.00 0.00 H new ATOM 0 HG LEU A 21 67.663 -3.153 1.655 1.00 0.00 H new ATOM 0 HD11 LEU A 21 68.383 -5.389 0.841 1.00 0.00 H new ATOM 0 HD12 LEU A 21 68.642 -4.143 -0.402 1.00 0.00 H new ATOM 0 HD13 LEU A 21 70.018 -4.753 0.546 1.00 0.00 H new ATOM 0 HD21 LEU A 21 68.595 -4.814 3.249 1.00 0.00 H new ATOM 0 HD22 LEU A 21 70.231 -4.179 2.951 1.00 0.00 H new ATOM 0 HD23 LEU A 21 69.008 -3.154 3.740 1.00 0.00 H new ATOM 370 N VAL A 22 70.678 0.796 1.488 1.00 0.00 N ATOM 371 CA VAL A 22 71.116 2.049 0.787 1.00 0.00 C ATOM 372 C VAL A 22 72.335 1.742 -0.119 1.00 0.00 C ATOM 373 O VAL A 22 73.399 1.464 0.396 1.00 0.00 O ATOM 374 CB VAL A 22 71.521 3.077 1.857 1.00 0.00 C ATOM 375 CG1 VAL A 22 72.267 4.249 1.209 1.00 0.00 C ATOM 376 CG2 VAL A 22 70.264 3.608 2.556 1.00 0.00 C ATOM 0 H VAL A 22 71.386 0.357 2.077 1.00 0.00 H new ATOM 0 HA VAL A 22 70.306 2.438 0.170 1.00 0.00 H new ATOM 0 HB VAL A 22 72.174 2.592 2.583 1.00 0.00 H new ATOM 0 HG11 VAL A 22 72.548 4.970 1.976 1.00 0.00 H new ATOM 0 HG12 VAL A 22 73.164 3.879 0.712 1.00 0.00 H new ATOM 0 HG13 VAL A 22 71.620 4.732 0.477 1.00 0.00 H new ATOM 0 HG21 VAL A 22 70.550 4.337 3.315 1.00 0.00 H new ATOM 0 HG22 VAL A 22 69.613 4.084 1.822 1.00 0.00 H new ATOM 0 HG23 VAL A 22 69.734 2.781 3.029 1.00 0.00 H new ATOM 386 N PRO A 23 72.180 1.826 -1.439 1.00 0.00 N ATOM 387 CA PRO A 23 73.314 1.582 -2.356 1.00 0.00 C ATOM 388 C PRO A 23 74.463 2.554 -2.057 1.00 0.00 C ATOM 389 O PRO A 23 74.253 3.670 -1.624 1.00 0.00 O ATOM 390 CB PRO A 23 72.738 1.826 -3.768 1.00 0.00 C ATOM 391 CG PRO A 23 71.200 1.901 -3.625 1.00 0.00 C ATOM 392 CD PRO A 23 70.900 2.126 -2.129 1.00 0.00 C ATOM 0 HA PRO A 23 73.725 0.578 -2.252 1.00 0.00 H new ATOM 0 HB2 PRO A 23 73.131 2.751 -4.190 1.00 0.00 H new ATOM 0 HB3 PRO A 23 73.023 1.021 -4.445 1.00 0.00 H new ATOM 0 HG2 PRO A 23 70.795 2.715 -4.227 1.00 0.00 H new ATOM 0 HG3 PRO A 23 70.734 0.981 -3.978 1.00 0.00 H new ATOM 0 HD2 PRO A 23 70.578 3.150 -1.939 1.00 0.00 H new ATOM 0 HD3 PRO A 23 70.100 1.471 -1.783 1.00 0.00 H new ATOM 400 N ARG A 24 75.671 2.131 -2.294 1.00 0.00 N ATOM 401 CA ARG A 24 76.846 3.013 -2.039 1.00 0.00 C ATOM 402 C ARG A 24 77.991 2.580 -2.956 1.00 0.00 C ATOM 403 O ARG A 24 78.149 1.411 -3.245 1.00 0.00 O ATOM 404 CB ARG A 24 77.277 2.876 -0.573 1.00 0.00 C ATOM 405 CG ARG A 24 78.321 3.953 -0.218 1.00 0.00 C ATOM 406 CD ARG A 24 77.624 5.251 0.217 1.00 0.00 C ATOM 407 NE ARG A 24 77.282 5.172 1.664 1.00 0.00 N ATOM 408 CZ ARG A 24 76.981 6.259 2.322 1.00 0.00 C ATOM 409 NH1 ARG A 24 76.985 7.412 1.711 1.00 0.00 N ATOM 410 NH2 ARG A 24 76.677 6.192 3.589 1.00 0.00 N ATOM 0 H ARG A 24 75.899 1.205 -2.656 1.00 0.00 H new ATOM 0 HA ARG A 24 76.585 4.052 -2.239 1.00 0.00 H new ATOM 0 HB2 ARG A 24 76.409 2.973 0.079 1.00 0.00 H new ATOM 0 HB3 ARG A 24 77.695 1.884 -0.401 1.00 0.00 H new ATOM 0 HG2 ARG A 24 78.966 3.593 0.583 1.00 0.00 H new ATOM 0 HG3 ARG A 24 78.960 4.147 -1.079 1.00 0.00 H new ATOM 0 HD2 ARG A 24 78.276 6.105 0.033 1.00 0.00 H new ATOM 0 HD3 ARG A 24 76.721 5.406 -0.373 1.00 0.00 H new ATOM 0 HE ARG A 24 77.283 4.270 2.141 1.00 0.00 H new ATOM 0 HH11 ARG A 24 77.223 7.463 0.721 1.00 0.00 H new ATOM 0 HH12 ARG A 24 76.750 8.262 2.224 1.00 0.00 H new ATOM 0 HH21 ARG A 24 76.674 5.290 4.066 1.00 0.00 H new ATOM 0 HH22 ARG A 24 76.442 7.041 4.103 1.00 0.00 H new ATOM 424 N LEU A 25 78.798 3.505 -3.406 1.00 0.00 N ATOM 425 CA LEU A 25 79.947 3.147 -4.292 1.00 0.00 C ATOM 426 C LEU A 25 81.225 3.235 -3.456 1.00 0.00 C ATOM 427 O LEU A 25 81.367 4.113 -2.627 1.00 0.00 O ATOM 428 CB LEU A 25 80.011 4.136 -5.458 1.00 0.00 C ATOM 429 CG LEU A 25 78.829 3.920 -6.420 1.00 0.00 C ATOM 430 CD1 LEU A 25 78.695 5.138 -7.344 1.00 0.00 C ATOM 431 CD2 LEU A 25 79.052 2.666 -7.280 1.00 0.00 C ATOM 0 H LEU A 25 78.710 4.499 -3.197 1.00 0.00 H new ATOM 0 HA LEU A 25 79.831 2.141 -4.695 1.00 0.00 H new ATOM 0 HB2 LEU A 25 79.994 5.157 -5.077 1.00 0.00 H new ATOM 0 HB3 LEU A 25 80.951 4.012 -5.995 1.00 0.00 H new ATOM 0 HG LEU A 25 77.922 3.790 -5.830 1.00 0.00 H new ATOM 0 HD11 LEU A 25 77.858 4.987 -8.026 1.00 0.00 H new ATOM 0 HD12 LEU A 25 78.518 6.031 -6.745 1.00 0.00 H new ATOM 0 HD13 LEU A 25 79.613 5.262 -7.918 1.00 0.00 H new ATOM 0 HD21 LEU A 25 78.205 2.531 -7.953 1.00 0.00 H new ATOM 0 HD22 LEU A 25 79.965 2.783 -7.864 1.00 0.00 H new ATOM 0 HD23 LEU A 25 79.144 1.793 -6.634 1.00 0.00 H new ATOM 443 N LEU A 26 82.145 2.321 -3.645 1.00 0.00 N ATOM 444 CA LEU A 26 83.410 2.327 -2.839 1.00 0.00 C ATOM 445 C LEU A 26 84.624 2.342 -3.774 1.00 0.00 C ATOM 446 O LEU A 26 84.946 1.364 -4.417 1.00 0.00 O ATOM 447 CB LEU A 26 83.438 1.059 -1.977 1.00 0.00 C ATOM 448 CG LEU A 26 84.592 1.121 -0.962 1.00 0.00 C ATOM 449 CD1 LEU A 26 84.278 2.130 0.158 1.00 0.00 C ATOM 450 CD2 LEU A 26 84.793 -0.271 -0.351 1.00 0.00 C ATOM 0 H LEU A 26 82.075 1.566 -4.327 1.00 0.00 H new ATOM 0 HA LEU A 26 83.446 3.214 -2.207 1.00 0.00 H new ATOM 0 HB2 LEU A 26 82.489 0.949 -1.451 1.00 0.00 H new ATOM 0 HB3 LEU A 26 83.553 0.182 -2.614 1.00 0.00 H new ATOM 0 HG LEU A 26 85.498 1.443 -1.475 1.00 0.00 H new ATOM 0 HD11 LEU A 26 85.107 2.158 0.865 1.00 0.00 H new ATOM 0 HD12 LEU A 26 84.136 3.121 -0.274 1.00 0.00 H new ATOM 0 HD13 LEU A 26 83.369 1.826 0.677 1.00 0.00 H new ATOM 0 HD21 LEU A 26 85.610 -0.237 0.370 1.00 0.00 H new ATOM 0 HD22 LEU A 26 83.878 -0.583 0.151 1.00 0.00 H new ATOM 0 HD23 LEU A 26 85.035 -0.983 -1.140 1.00 0.00 H new ATOM 462 N GLY A 27 85.294 3.458 -3.839 1.00 0.00 N ATOM 463 CA GLY A 27 86.491 3.594 -4.715 1.00 0.00 C ATOM 464 C GLY A 27 87.727 3.019 -4.026 1.00 0.00 C ATOM 465 O GLY A 27 88.118 3.460 -2.967 1.00 0.00 O ATOM 0 H GLY A 27 85.058 4.298 -3.311 1.00 0.00 H new ATOM 0 HA2 GLY A 27 86.319 3.076 -5.658 1.00 0.00 H new ATOM 0 HA3 GLY A 27 86.656 4.645 -4.954 1.00 0.00 H new ATOM 469 N ILE A 28 88.361 2.048 -4.631 1.00 0.00 N ATOM 470 CA ILE A 28 89.591 1.458 -4.022 1.00 0.00 C ATOM 471 C ILE A 28 90.814 2.101 -4.675 1.00 0.00 C ATOM 472 O ILE A 28 91.087 1.887 -5.839 1.00 0.00 O ATOM 473 CB ILE A 28 89.623 -0.056 -4.269 1.00 0.00 C ATOM 474 CG1 ILE A 28 88.246 -0.663 -3.978 1.00 0.00 C ATOM 475 CG2 ILE A 28 90.668 -0.697 -3.354 1.00 0.00 C ATOM 476 CD1 ILE A 28 87.752 -0.208 -2.604 1.00 0.00 C ATOM 0 H ILE A 28 88.080 1.638 -5.521 1.00 0.00 H new ATOM 0 HA ILE A 28 89.593 1.643 -2.948 1.00 0.00 H new ATOM 0 HB ILE A 28 89.882 -0.244 -5.311 1.00 0.00 H new ATOM 0 HG12 ILE A 28 87.536 -0.360 -4.747 1.00 0.00 H new ATOM 0 HG13 ILE A 28 88.305 -1.751 -4.010 1.00 0.00 H new ATOM 0 HG21 ILE A 28 90.693 -1.773 -3.528 1.00 0.00 H new ATOM 0 HG22 ILE A 28 91.649 -0.272 -3.568 1.00 0.00 H new ATOM 0 HG23 ILE A 28 90.408 -0.503 -2.313 1.00 0.00 H new ATOM 0 HD11 ILE A 28 86.773 -0.645 -2.406 1.00 0.00 H new ATOM 0 HD12 ILE A 28 88.456 -0.534 -1.838 1.00 0.00 H new ATOM 0 HD13 ILE A 28 87.675 0.879 -2.587 1.00 0.00 H new ATOM 488 N THR A 29 91.553 2.893 -3.942 1.00 0.00 N ATOM 489 CA THR A 29 92.757 3.551 -4.530 1.00 0.00 C ATOM 490 C THR A 29 93.991 2.699 -4.230 1.00 0.00 C ATOM 491 O THR A 29 93.949 1.783 -3.433 1.00 0.00 O ATOM 492 CB THR A 29 92.920 4.955 -3.917 1.00 0.00 C ATOM 493 OG1 THR A 29 91.636 5.495 -3.637 1.00 0.00 O ATOM 494 CG2 THR A 29 93.652 5.874 -4.900 1.00 0.00 C ATOM 0 H THR A 29 91.375 3.112 -2.962 1.00 0.00 H new ATOM 0 HA THR A 29 92.641 3.646 -5.610 1.00 0.00 H new ATOM 0 HB THR A 29 93.500 4.880 -2.997 1.00 0.00 H new ATOM 0 HG1 THR A 29 91.297 5.116 -2.799 1.00 0.00 H new ATOM 0 HG21 THR A 29 93.763 6.864 -4.459 1.00 0.00 H new ATOM 0 HG22 THR A 29 94.637 5.462 -5.119 1.00 0.00 H new ATOM 0 HG23 THR A 29 93.078 5.951 -5.823 1.00 0.00 H new ATOM 502 N LYS A 30 95.088 2.991 -4.867 1.00 0.00 N ATOM 503 CA LYS A 30 96.323 2.199 -4.627 1.00 0.00 C ATOM 504 C LYS A 30 96.910 2.562 -3.262 1.00 0.00 C ATOM 505 O LYS A 30 97.840 1.936 -2.792 1.00 0.00 O ATOM 506 CB LYS A 30 97.338 2.518 -5.725 1.00 0.00 C ATOM 507 CG LYS A 30 97.295 4.018 -6.025 1.00 0.00 C ATOM 508 CD LYS A 30 98.534 4.420 -6.828 1.00 0.00 C ATOM 509 CE LYS A 30 98.465 3.789 -8.220 1.00 0.00 C ATOM 510 NZ LYS A 30 99.458 4.449 -9.115 1.00 0.00 N ATOM 0 H LYS A 30 95.183 3.747 -5.546 1.00 0.00 H new ATOM 0 HA LYS A 30 96.087 1.135 -4.641 1.00 0.00 H new ATOM 0 HB2 LYS A 30 98.339 2.226 -5.408 1.00 0.00 H new ATOM 0 HB3 LYS A 30 97.110 1.948 -6.625 1.00 0.00 H new ATOM 0 HG2 LYS A 30 96.392 4.261 -6.586 1.00 0.00 H new ATOM 0 HG3 LYS A 30 97.254 4.584 -5.094 1.00 0.00 H new ATOM 0 HD2 LYS A 30 98.590 5.505 -6.911 1.00 0.00 H new ATOM 0 HD3 LYS A 30 99.437 4.092 -6.313 1.00 0.00 H new ATOM 0 HE2 LYS A 30 98.670 2.720 -8.157 1.00 0.00 H new ATOM 0 HE3 LYS A 30 97.461 3.897 -8.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 99.411 4.020 -10.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 99.243 5.464 -9.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 100.414 4.324 -8.725 1.00 0.00 H new ATOM 524 N GLU A 31 96.382 3.576 -2.629 1.00 0.00 N ATOM 525 CA GLU A 31 96.912 3.997 -1.296 1.00 0.00 C ATOM 526 C GLU A 31 95.759 4.357 -0.357 1.00 0.00 C ATOM 527 O GLU A 31 95.975 4.835 0.739 1.00 0.00 O ATOM 528 CB GLU A 31 97.803 5.226 -1.481 1.00 0.00 C ATOM 529 CG GLU A 31 99.031 4.857 -2.314 1.00 0.00 C ATOM 530 CD GLU A 31 100.127 5.909 -2.117 1.00 0.00 C ATOM 531 OE1 GLU A 31 99.829 6.950 -1.556 1.00 0.00 O ATOM 532 OE2 GLU A 31 101.246 5.654 -2.532 1.00 0.00 O ATOM 0 H GLU A 31 95.603 4.134 -2.978 1.00 0.00 H new ATOM 0 HA GLU A 31 97.482 3.175 -0.863 1.00 0.00 H new ATOM 0 HB2 GLU A 31 97.243 6.021 -1.974 1.00 0.00 H new ATOM 0 HB3 GLU A 31 98.114 5.610 -0.510 1.00 0.00 H new ATOM 0 HG2 GLU A 31 99.400 3.875 -2.019 1.00 0.00 H new ATOM 0 HG3 GLU A 31 98.761 4.793 -3.368 1.00 0.00 H new ATOM 539 N CYS A 32 94.538 4.142 -0.762 1.00 0.00 N ATOM 540 CA CYS A 32 93.405 4.493 0.141 1.00 0.00 C ATOM 541 C CYS A 32 92.074 4.008 -0.445 1.00 0.00 C ATOM 542 O CYS A 32 91.943 3.774 -1.630 1.00 0.00 O ATOM 543 CB CYS A 32 93.361 6.024 0.314 1.00 0.00 C ATOM 544 SG CYS A 32 94.027 6.818 -1.170 1.00 0.00 S ATOM 0 H CYS A 32 94.277 3.745 -1.665 1.00 0.00 H new ATOM 0 HA CYS A 32 93.556 4.007 1.105 1.00 0.00 H new ATOM 0 HB2 CYS A 32 92.336 6.352 0.486 1.00 0.00 H new ATOM 0 HB3 CYS A 32 93.941 6.319 1.189 1.00 0.00 H new ATOM 0 HG CYS A 32 93.988 8.109 -1.026 1.00 0.00 H new ATOM 550 N VAL A 33 91.076 3.894 0.394 1.00 0.00 N ATOM 551 CA VAL A 33 89.721 3.468 -0.069 1.00 0.00 C ATOM 552 C VAL A 33 88.834 4.711 -0.062 1.00 0.00 C ATOM 553 O VAL A 33 88.823 5.447 0.901 1.00 0.00 O ATOM 554 CB VAL A 33 89.157 2.428 0.900 1.00 0.00 C ATOM 555 CG1 VAL A 33 87.735 2.053 0.484 1.00 0.00 C ATOM 556 CG2 VAL A 33 90.041 1.179 0.880 1.00 0.00 C ATOM 0 H VAL A 33 91.144 4.081 1.394 1.00 0.00 H new ATOM 0 HA VAL A 33 89.766 3.028 -1.065 1.00 0.00 H new ATOM 0 HB VAL A 33 89.139 2.846 1.907 1.00 0.00 H new ATOM 0 HG11 VAL A 33 87.337 1.312 1.177 1.00 0.00 H new ATOM 0 HG12 VAL A 33 87.104 2.942 0.502 1.00 0.00 H new ATOM 0 HG13 VAL A 33 87.748 1.637 -0.524 1.00 0.00 H new ATOM 0 HG21 VAL A 33 89.639 0.438 1.571 1.00 0.00 H new ATOM 0 HG22 VAL A 33 90.061 0.763 -0.127 1.00 0.00 H new ATOM 0 HG23 VAL A 33 91.054 1.445 1.183 1.00 0.00 H new ATOM 566 N MET A 34 88.110 4.977 -1.124 1.00 0.00 N ATOM 567 CA MET A 34 87.256 6.208 -1.159 1.00 0.00 C ATOM 568 C MET A 34 85.790 5.861 -0.918 1.00 0.00 C ATOM 569 O MET A 34 85.268 4.916 -1.472 1.00 0.00 O ATOM 570 CB MET A 34 87.394 6.882 -2.532 1.00 0.00 C ATOM 571 CG MET A 34 88.825 6.710 -3.044 1.00 0.00 C ATOM 572 SD MET A 34 89.103 7.815 -4.451 1.00 0.00 S ATOM 573 CE MET A 34 89.640 9.260 -3.505 1.00 0.00 C ATOM 0 H MET A 34 88.073 4.399 -1.963 1.00 0.00 H new ATOM 0 HA MET A 34 87.589 6.883 -0.371 1.00 0.00 H new ATOM 0 HB2 MET A 34 86.689 6.442 -3.237 1.00 0.00 H new ATOM 0 HB3 MET A 34 87.149 7.941 -2.455 1.00 0.00 H new ATOM 0 HG2 MET A 34 89.536 6.932 -2.248 1.00 0.00 H new ATOM 0 HG3 MET A 34 88.993 5.675 -3.342 1.00 0.00 H new ATOM 0 HE1 MET A 34 89.986 10.035 -4.189 1.00 0.00 H new ATOM 0 HE2 MET A 34 88.805 9.641 -2.917 1.00 0.00 H new ATOM 0 HE3 MET A 34 90.453 8.976 -2.837 1.00 0.00 H new ATOM 583 N ARG A 35 85.107 6.651 -0.128 1.00 0.00 N ATOM 584 CA ARG A 35 83.657 6.386 0.103 1.00 0.00 C ATOM 585 C ARG A 35 82.898 7.225 -0.914 1.00 0.00 C ATOM 586 O ARG A 35 83.032 8.433 -0.943 1.00 0.00 O ATOM 587 CB ARG A 35 83.246 6.836 1.511 1.00 0.00 C ATOM 588 CG ARG A 35 83.721 5.830 2.577 1.00 0.00 C ATOM 589 CD ARG A 35 82.829 5.934 3.830 1.00 0.00 C ATOM 590 NE ARG A 35 82.261 7.309 3.934 1.00 0.00 N ATOM 591 CZ ARG A 35 81.253 7.539 4.730 1.00 0.00 C ATOM 592 NH1 ARG A 35 80.740 6.566 5.433 1.00 0.00 N ATOM 593 NH2 ARG A 35 80.758 8.743 4.826 1.00 0.00 N ATOM 0 H ARG A 35 85.488 7.460 0.362 1.00 0.00 H new ATOM 0 HA ARG A 35 83.444 5.322 0.005 1.00 0.00 H new ATOM 0 HB2 ARG A 35 83.669 7.819 1.720 1.00 0.00 H new ATOM 0 HB3 ARG A 35 82.162 6.939 1.561 1.00 0.00 H new ATOM 0 HG2 ARG A 35 83.683 4.817 2.176 1.00 0.00 H new ATOM 0 HG3 ARG A 35 84.759 6.030 2.841 1.00 0.00 H new ATOM 0 HD2 ARG A 35 82.024 5.201 3.776 1.00 0.00 H new ATOM 0 HD3 ARG A 35 83.411 5.703 4.722 1.00 0.00 H new ATOM 0 HE ARG A 35 82.660 8.069 3.383 1.00 0.00 H new ATOM 0 HH11 ARG A 35 81.127 5.625 5.360 1.00 0.00 H new ATOM 0 HH12 ARG A 35 79.952 6.747 6.055 1.00 0.00 H new ATOM 0 HH21 ARG A 35 81.159 9.504 4.279 1.00 0.00 H new ATOM 0 HH22 ARG A 35 79.970 8.922 5.448 1.00 0.00 H new ATOM 607 N VAL A 36 82.125 6.602 -1.768 1.00 0.00 N ATOM 608 CA VAL A 36 81.383 7.371 -2.809 1.00 0.00 C ATOM 609 C VAL A 36 79.900 7.010 -2.769 1.00 0.00 C ATOM 610 O VAL A 36 79.525 5.856 -2.816 1.00 0.00 O ATOM 611 CB VAL A 36 81.968 7.034 -4.184 1.00 0.00 C ATOM 612 CG1 VAL A 36 81.195 7.781 -5.278 1.00 0.00 C ATOM 613 CG2 VAL A 36 83.441 7.458 -4.231 1.00 0.00 C ATOM 0 H VAL A 36 81.977 5.593 -1.788 1.00 0.00 H new ATOM 0 HA VAL A 36 81.484 8.439 -2.618 1.00 0.00 H new ATOM 0 HB VAL A 36 81.887 5.960 -4.352 1.00 0.00 H new ATOM 0 HG11 VAL A 36 81.617 7.536 -6.253 1.00 0.00 H new ATOM 0 HG12 VAL A 36 80.147 7.483 -5.251 1.00 0.00 H new ATOM 0 HG13 VAL A 36 81.271 8.855 -5.109 1.00 0.00 H new ATOM 0 HG21 VAL A 36 83.858 7.218 -5.209 1.00 0.00 H new ATOM 0 HG22 VAL A 36 83.516 8.531 -4.058 1.00 0.00 H new ATOM 0 HG23 VAL A 36 83.998 6.926 -3.459 1.00 0.00 H new ATOM 623 N ASP A 37 79.056 8.001 -2.690 1.00 0.00 N ATOM 624 CA ASP A 37 77.593 7.740 -2.655 1.00 0.00 C ATOM 625 C ASP A 37 77.154 7.214 -4.015 1.00 0.00 C ATOM 626 O ASP A 37 77.705 7.565 -5.031 1.00 0.00 O ATOM 627 CB ASP A 37 76.845 9.040 -2.343 1.00 0.00 C ATOM 628 CG ASP A 37 75.410 8.717 -1.918 1.00 0.00 C ATOM 629 OD1 ASP A 37 74.765 7.951 -2.615 1.00 0.00 O ATOM 630 OD2 ASP A 37 74.981 9.242 -0.903 1.00 0.00 O ATOM 0 H ASP A 37 79.320 8.985 -2.648 1.00 0.00 H new ATOM 0 HA ASP A 37 77.368 7.005 -1.883 1.00 0.00 H new ATOM 0 HB2 ASP A 37 77.356 9.584 -1.549 1.00 0.00 H new ATOM 0 HB3 ASP A 37 76.838 9.687 -3.220 1.00 0.00 H new ATOM 635 N GLU A 38 76.160 6.382 -4.044 1.00 0.00 N ATOM 636 CA GLU A 38 75.675 5.842 -5.341 1.00 0.00 C ATOM 637 C GLU A 38 74.642 6.815 -5.873 1.00 0.00 C ATOM 638 O GLU A 38 74.322 6.856 -7.045 1.00 0.00 O ATOM 639 CB GLU A 38 75.034 4.485 -5.077 1.00 0.00 C ATOM 640 CG GLU A 38 74.906 3.682 -6.370 1.00 0.00 C ATOM 641 CD GLU A 38 73.810 4.290 -7.248 1.00 0.00 C ATOM 642 OE1 GLU A 38 72.873 4.842 -6.695 1.00 0.00 O ATOM 643 OE2 GLU A 38 73.927 4.193 -8.458 1.00 0.00 O ATOM 0 H GLU A 38 75.657 6.049 -3.221 1.00 0.00 H new ATOM 0 HA GLU A 38 76.482 5.723 -6.064 1.00 0.00 H new ATOM 0 HB2 GLU A 38 75.634 3.929 -4.357 1.00 0.00 H new ATOM 0 HB3 GLU A 38 74.049 4.624 -4.632 1.00 0.00 H new ATOM 0 HG2 GLU A 38 75.856 3.682 -6.905 1.00 0.00 H new ATOM 0 HG3 GLU A 38 74.668 2.643 -6.142 1.00 0.00 H new ATOM 650 N LYS A 39 74.131 7.597 -4.984 1.00 0.00 N ATOM 651 CA LYS A 39 73.114 8.604 -5.335 1.00 0.00 C ATOM 652 C LYS A 39 73.786 9.796 -6.008 1.00 0.00 C ATOM 653 O LYS A 39 73.381 10.241 -7.063 1.00 0.00 O ATOM 654 CB LYS A 39 72.450 9.059 -4.044 1.00 0.00 C ATOM 655 CG LYS A 39 71.332 10.054 -4.354 1.00 0.00 C ATOM 656 CD LYS A 39 70.677 10.508 -3.049 1.00 0.00 C ATOM 657 CE LYS A 39 69.529 11.469 -3.361 1.00 0.00 C ATOM 658 NZ LYS A 39 68.685 11.650 -2.146 1.00 0.00 N ATOM 0 H LYS A 39 74.384 7.580 -3.996 1.00 0.00 H new ATOM 0 HA LYS A 39 72.378 8.183 -6.019 1.00 0.00 H new ATOM 0 HB2 LYS A 39 72.045 8.199 -3.511 1.00 0.00 H new ATOM 0 HB3 LYS A 39 73.188 9.521 -3.389 1.00 0.00 H new ATOM 0 HG2 LYS A 39 71.734 10.914 -4.890 1.00 0.00 H new ATOM 0 HG3 LYS A 39 70.589 9.592 -5.004 1.00 0.00 H new ATOM 0 HD2 LYS A 39 70.303 9.645 -2.498 1.00 0.00 H new ATOM 0 HD3 LYS A 39 71.413 10.999 -2.412 1.00 0.00 H new ATOM 0 HE2 LYS A 39 69.925 12.431 -3.688 1.00 0.00 H new ATOM 0 HE3 LYS A 39 68.926 11.077 -4.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 67.905 12.304 -2.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 68.296 10.731 -1.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 69.264 12.042 -1.376 1.00 0.00 H new ATOM 672 N THR A 40 74.805 10.326 -5.386 1.00 0.00 N ATOM 673 CA THR A 40 75.516 11.510 -5.955 1.00 0.00 C ATOM 674 C THR A 40 76.830 11.079 -6.620 1.00 0.00 C ATOM 675 O THR A 40 77.515 11.886 -7.217 1.00 0.00 O ATOM 676 CB THR A 40 75.816 12.502 -4.821 1.00 0.00 C ATOM 677 OG1 THR A 40 74.719 12.527 -3.919 1.00 0.00 O ATOM 678 CG2 THR A 40 76.033 13.903 -5.397 1.00 0.00 C ATOM 0 H THR A 40 75.179 9.987 -4.500 1.00 0.00 H new ATOM 0 HA THR A 40 74.884 11.980 -6.708 1.00 0.00 H new ATOM 0 HB THR A 40 76.719 12.188 -4.297 1.00 0.00 H new ATOM 0 HG1 THR A 40 74.907 13.158 -3.193 1.00 0.00 H new ATOM 0 HG21 THR A 40 76.245 14.601 -4.587 1.00 0.00 H new ATOM 0 HG22 THR A 40 76.874 13.885 -6.090 1.00 0.00 H new ATOM 0 HG23 THR A 40 75.135 14.223 -5.925 1.00 0.00 H new ATOM 686 N LYS A 41 77.203 9.827 -6.532 1.00 0.00 N ATOM 687 CA LYS A 41 78.483 9.408 -7.176 1.00 0.00 C ATOM 688 C LYS A 41 79.605 10.351 -6.732 1.00 0.00 C ATOM 689 O LYS A 41 80.633 10.453 -7.372 1.00 0.00 O ATOM 690 CB LYS A 41 78.327 9.474 -8.696 1.00 0.00 C ATOM 691 CG LYS A 41 77.097 8.658 -9.107 1.00 0.00 C ATOM 692 CD LYS A 41 77.079 8.447 -10.627 1.00 0.00 C ATOM 693 CE LYS A 41 76.624 9.729 -11.333 1.00 0.00 C ATOM 694 NZ LYS A 41 75.295 10.148 -10.802 1.00 0.00 N ATOM 0 H LYS A 41 76.687 9.090 -6.051 1.00 0.00 H new ATOM 0 HA LYS A 41 78.729 8.388 -6.880 1.00 0.00 H new ATOM 0 HB2 LYS A 41 78.217 10.509 -9.019 1.00 0.00 H new ATOM 0 HB3 LYS A 41 79.219 9.081 -9.183 1.00 0.00 H new ATOM 0 HG2 LYS A 41 77.106 7.693 -8.600 1.00 0.00 H new ATOM 0 HG3 LYS A 41 76.189 9.174 -8.794 1.00 0.00 H new ATOM 0 HD2 LYS A 41 78.073 8.165 -10.974 1.00 0.00 H new ATOM 0 HD3 LYS A 41 76.408 7.626 -10.880 1.00 0.00 H new ATOM 0 HE2 LYS A 41 77.356 10.522 -11.176 1.00 0.00 H new ATOM 0 HE3 LYS A 41 76.561 9.561 -12.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 74.759 10.631 -11.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 74.768 9.310 -10.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 75.430 10.796 -10.000 1.00 0.00 H new ATOM 708 N GLU A 42 79.412 11.044 -5.634 1.00 0.00 N ATOM 709 CA GLU A 42 80.463 11.990 -5.132 1.00 0.00 C ATOM 710 C GLU A 42 81.234 11.317 -3.990 1.00 0.00 C ATOM 711 O GLU A 42 80.734 10.426 -3.344 1.00 0.00 O ATOM 712 CB GLU A 42 79.780 13.278 -4.624 1.00 0.00 C ATOM 713 CG GLU A 42 80.491 14.519 -5.174 1.00 0.00 C ATOM 714 CD GLU A 42 80.306 14.586 -6.691 1.00 0.00 C ATOM 715 OE1 GLU A 42 79.216 14.285 -7.150 1.00 0.00 O ATOM 716 OE2 GLU A 42 81.257 14.938 -7.368 1.00 0.00 O ATOM 0 H GLU A 42 78.569 10.996 -5.061 1.00 0.00 H new ATOM 0 HA GLU A 42 81.157 12.245 -5.933 1.00 0.00 H new ATOM 0 HB2 GLU A 42 78.734 13.286 -4.930 1.00 0.00 H new ATOM 0 HB3 GLU A 42 79.794 13.298 -3.534 1.00 0.00 H new ATOM 0 HG2 GLU A 42 80.088 15.418 -4.708 1.00 0.00 H new ATOM 0 HG3 GLU A 42 81.552 14.481 -4.928 1.00 0.00 H new ATOM 723 N VAL A 43 82.439 11.752 -3.735 1.00 0.00 N ATOM 724 CA VAL A 43 83.245 11.144 -2.631 1.00 0.00 C ATOM 725 C VAL A 43 82.742 11.666 -1.285 1.00 0.00 C ATOM 726 O VAL A 43 82.651 12.857 -1.064 1.00 0.00 O ATOM 727 CB VAL A 43 84.726 11.507 -2.821 1.00 0.00 C ATOM 728 CG1 VAL A 43 85.518 11.189 -1.548 1.00 0.00 C ATOM 729 CG2 VAL A 43 85.299 10.691 -3.981 1.00 0.00 C ATOM 0 H VAL A 43 82.903 12.504 -4.244 1.00 0.00 H new ATOM 0 HA VAL A 43 83.139 10.059 -2.652 1.00 0.00 H new ATOM 0 HB VAL A 43 84.805 12.573 -3.035 1.00 0.00 H new ATOM 0 HG11 VAL A 43 86.566 11.451 -1.696 1.00 0.00 H new ATOM 0 HG12 VAL A 43 85.114 11.765 -0.715 1.00 0.00 H new ATOM 0 HG13 VAL A 43 85.438 10.125 -1.326 1.00 0.00 H new ATOM 0 HG21 VAL A 43 86.350 10.945 -4.120 1.00 0.00 H new ATOM 0 HG22 VAL A 43 85.209 9.628 -3.758 1.00 0.00 H new ATOM 0 HG23 VAL A 43 84.747 10.918 -4.893 1.00 0.00 H new ATOM 739 N ILE A 44 82.412 10.774 -0.382 1.00 0.00 N ATOM 740 CA ILE A 44 81.909 11.195 0.959 1.00 0.00 C ATOM 741 C ILE A 44 83.006 11.009 2.010 1.00 0.00 C ATOM 742 O ILE A 44 82.982 11.627 3.055 1.00 0.00 O ATOM 743 CB ILE A 44 80.703 10.336 1.338 1.00 0.00 C ATOM 744 CG1 ILE A 44 79.718 10.278 0.162 1.00 0.00 C ATOM 745 CG2 ILE A 44 80.012 10.946 2.557 1.00 0.00 C ATOM 746 CD1 ILE A 44 79.387 11.693 -0.325 1.00 0.00 C ATOM 0 H ILE A 44 82.471 9.765 -0.520 1.00 0.00 H new ATOM 0 HA ILE A 44 81.621 12.246 0.919 1.00 0.00 H new ATOM 0 HB ILE A 44 81.036 9.326 1.575 1.00 0.00 H new ATOM 0 HG12 ILE A 44 80.149 9.697 -0.653 1.00 0.00 H new ATOM 0 HG13 ILE A 44 78.804 9.769 0.469 1.00 0.00 H new ATOM 0 HG21 ILE A 44 79.151 10.336 2.830 1.00 0.00 H new ATOM 0 HG22 ILE A 44 80.712 10.981 3.392 1.00 0.00 H new ATOM 0 HG23 ILE A 44 79.680 11.957 2.319 1.00 0.00 H new ATOM 0 HD11 ILE A 44 78.688 11.636 -1.159 1.00 0.00 H new ATOM 0 HD12 ILE A 44 78.936 12.262 0.488 1.00 0.00 H new ATOM 0 HD13 ILE A 44 80.301 12.189 -0.651 1.00 0.00 H new ATOM 758 N GLN A 45 83.963 10.158 1.751 1.00 0.00 N ATOM 759 CA GLN A 45 85.045 9.941 2.756 1.00 0.00 C ATOM 760 C GLN A 45 86.179 9.111 2.139 1.00 0.00 C ATOM 761 O GLN A 45 86.033 8.509 1.095 1.00 0.00 O ATOM 762 CB GLN A 45 84.472 9.208 3.986 1.00 0.00 C ATOM 763 CG GLN A 45 85.294 9.542 5.251 1.00 0.00 C ATOM 764 CD GLN A 45 84.686 10.748 5.975 1.00 0.00 C ATOM 765 OE1 GLN A 45 83.481 10.880 6.055 1.00 0.00 O ATOM 766 NE2 GLN A 45 85.479 11.637 6.506 1.00 0.00 N ATOM 0 H GLN A 45 84.043 9.608 0.896 1.00 0.00 H new ATOM 0 HA GLN A 45 85.442 10.908 3.065 1.00 0.00 H new ATOM 0 HB2 GLN A 45 83.431 9.496 4.136 1.00 0.00 H new ATOM 0 HB3 GLN A 45 84.483 8.132 3.812 1.00 0.00 H new ATOM 0 HG2 GLN A 45 85.314 8.680 5.918 1.00 0.00 H new ATOM 0 HG3 GLN A 45 86.327 9.756 4.976 1.00 0.00 H new ATOM 0 HE21 GLN A 45 86.490 11.524 6.438 1.00 0.00 H new ATOM 0 HE22 GLN A 45 85.088 12.445 6.990 1.00 0.00 H new ATOM 775 N GLU A 46 87.309 9.083 2.791 1.00 0.00 N ATOM 776 CA GLU A 46 88.480 8.308 2.287 1.00 0.00 C ATOM 777 C GLU A 46 89.218 7.662 3.467 1.00 0.00 C ATOM 778 O GLU A 46 89.114 8.100 4.595 1.00 0.00 O ATOM 779 CB GLU A 46 89.430 9.253 1.532 1.00 0.00 C ATOM 780 CG GLU A 46 88.964 9.412 0.080 1.00 0.00 C ATOM 781 CD GLU A 46 89.627 10.644 -0.541 1.00 0.00 C ATOM 782 OE1 GLU A 46 90.705 10.497 -1.094 1.00 0.00 O ATOM 783 OE2 GLU A 46 89.046 11.713 -0.453 1.00 0.00 O ATOM 0 H GLU A 46 87.474 9.574 3.670 1.00 0.00 H new ATOM 0 HA GLU A 46 88.136 7.525 1.611 1.00 0.00 H new ATOM 0 HB2 GLU A 46 89.455 10.226 2.023 1.00 0.00 H new ATOM 0 HB3 GLU A 46 90.445 8.857 1.556 1.00 0.00 H new ATOM 0 HG2 GLU A 46 89.219 8.521 -0.494 1.00 0.00 H new ATOM 0 HG3 GLU A 46 87.879 9.514 0.045 1.00 0.00 H new ATOM 790 N TRP A 47 89.971 6.620 3.203 1.00 0.00 N ATOM 791 CA TRP A 47 90.731 5.929 4.290 1.00 0.00 C ATOM 792 C TRP A 47 92.120 5.562 3.772 1.00 0.00 C ATOM 793 O TRP A 47 92.317 5.368 2.594 1.00 0.00 O ATOM 794 CB TRP A 47 90.011 4.642 4.702 1.00 0.00 C ATOM 795 CG TRP A 47 88.738 4.944 5.441 1.00 0.00 C ATOM 796 CD1 TRP A 47 88.597 5.837 6.455 1.00 0.00 C ATOM 797 CD2 TRP A 47 87.424 4.343 5.248 1.00 0.00 C ATOM 798 NE1 TRP A 47 87.281 5.823 6.880 1.00 0.00 N ATOM 799 CE2 TRP A 47 86.522 4.920 6.170 1.00 0.00 C ATOM 800 CE3 TRP A 47 86.931 3.363 4.366 1.00 0.00 C ATOM 801 CZ2 TRP A 47 85.183 4.542 6.220 1.00 0.00 C ATOM 802 CZ3 TRP A 47 85.581 2.978 4.413 1.00 0.00 C ATOM 803 CH2 TRP A 47 84.709 3.566 5.339 1.00 0.00 C ATOM 0 H TRP A 47 90.091 6.217 2.274 1.00 0.00 H new ATOM 0 HA TRP A 47 90.805 6.596 5.149 1.00 0.00 H new ATOM 0 HB2 TRP A 47 89.788 4.047 3.816 1.00 0.00 H new ATOM 0 HB3 TRP A 47 90.667 4.041 5.332 1.00 0.00 H new ATOM 0 HD1 TRP A 47 89.383 6.456 6.862 1.00 0.00 H new ATOM 0 HE1 TRP A 47 86.916 6.411 7.629 1.00 0.00 H new ATOM 0 HE3 TRP A 47 87.595 2.904 3.648 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 84.515 5.000 6.935 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 85.213 2.225 3.732 1.00 0.00 H new ATOM 0 HH2 TRP A 47 83.672 3.265 5.372 1.00 0.00 H new ATOM 814 N SER A 48 93.082 5.452 4.645 1.00 0.00 N ATOM 815 CA SER A 48 94.459 5.087 4.198 1.00 0.00 C ATOM 816 C SER A 48 94.585 3.563 4.112 1.00 0.00 C ATOM 817 O SER A 48 94.085 2.839 4.950 1.00 0.00 O ATOM 818 CB SER A 48 95.478 5.636 5.196 1.00 0.00 C ATOM 819 OG SER A 48 95.657 7.027 4.964 1.00 0.00 O ATOM 0 H SER A 48 92.976 5.599 5.649 1.00 0.00 H new ATOM 0 HA SER A 48 94.649 5.516 3.214 1.00 0.00 H new ATOM 0 HB2 SER A 48 95.133 5.467 6.216 1.00 0.00 H new ATOM 0 HB3 SER A 48 96.428 5.112 5.089 1.00 0.00 H new ATOM 0 HG SER A 48 96.309 7.384 5.603 1.00 0.00 H new ATOM 825 N LEU A 49 95.250 3.072 3.101 1.00 0.00 N ATOM 826 CA LEU A 49 95.412 1.599 2.951 1.00 0.00 C ATOM 827 C LEU A 49 96.301 1.073 4.087 1.00 0.00 C ATOM 828 O LEU A 49 96.192 -0.064 4.499 1.00 0.00 O ATOM 829 CB LEU A 49 96.068 1.311 1.574 1.00 0.00 C ATOM 830 CG LEU A 49 95.062 0.644 0.620 1.00 0.00 C ATOM 831 CD1 LEU A 49 95.548 0.783 -0.826 1.00 0.00 C ATOM 832 CD2 LEU A 49 94.931 -0.842 0.969 1.00 0.00 C ATOM 0 H LEU A 49 95.690 3.631 2.370 1.00 0.00 H new ATOM 0 HA LEU A 49 94.444 1.100 3.001 1.00 0.00 H new ATOM 0 HB2 LEU A 49 96.430 2.242 1.136 1.00 0.00 H new ATOM 0 HB3 LEU A 49 96.935 0.663 1.707 1.00 0.00 H new ATOM 0 HG LEU A 49 94.093 1.132 0.725 1.00 0.00 H new ATOM 0 HD11 LEU A 49 94.832 0.309 -1.498 1.00 0.00 H new ATOM 0 HD12 LEU A 49 95.639 1.839 -1.079 1.00 0.00 H new ATOM 0 HD13 LEU A 49 96.519 0.300 -0.931 1.00 0.00 H new ATOM 0 HD21 LEU A 49 94.218 -1.313 0.292 1.00 0.00 H new ATOM 0 HD22 LEU A 49 95.902 -1.327 0.868 1.00 0.00 H new ATOM 0 HD23 LEU A 49 94.579 -0.945 1.996 1.00 0.00 H new ATOM 844 N THR A 50 97.185 1.892 4.583 1.00 0.00 N ATOM 845 CA THR A 50 98.090 1.446 5.677 1.00 0.00 C ATOM 846 C THR A 50 97.356 1.509 7.022 1.00 0.00 C ATOM 847 O THR A 50 97.888 1.128 8.046 1.00 0.00 O ATOM 848 CB THR A 50 99.319 2.364 5.712 1.00 0.00 C ATOM 849 OG1 THR A 50 99.699 2.688 4.381 1.00 0.00 O ATOM 850 CG2 THR A 50 100.483 1.661 6.416 1.00 0.00 C ATOM 0 H THR A 50 97.320 2.855 4.276 1.00 0.00 H new ATOM 0 HA THR A 50 98.403 0.418 5.497 1.00 0.00 H new ATOM 0 HB THR A 50 99.071 3.273 6.259 1.00 0.00 H new ATOM 0 HG1 THR A 50 100.483 3.276 4.399 1.00 0.00 H new ATOM 0 HG21 THR A 50 101.350 2.322 6.435 1.00 0.00 H new ATOM 0 HG22 THR A 50 100.194 1.413 7.437 1.00 0.00 H new ATOM 0 HG23 THR A 50 100.735 0.747 5.878 1.00 0.00 H new ATOM 858 N ASN A 51 96.141 1.994 7.031 1.00 0.00 N ATOM 859 CA ASN A 51 95.373 2.091 8.315 1.00 0.00 C ATOM 860 C ASN A 51 94.436 0.888 8.454 1.00 0.00 C ATOM 861 O ASN A 51 93.793 0.709 9.470 1.00 0.00 O ATOM 862 CB ASN A 51 94.545 3.382 8.315 1.00 0.00 C ATOM 863 CG ASN A 51 95.454 4.577 8.611 1.00 0.00 C ATOM 864 OD1 ASN A 51 96.642 4.528 8.361 1.00 0.00 O ATOM 865 ND2 ASN A 51 94.942 5.656 9.137 1.00 0.00 N ATOM 0 H ASN A 51 95.644 2.328 6.205 1.00 0.00 H new ATOM 0 HA ASN A 51 96.072 2.100 9.151 1.00 0.00 H new ATOM 0 HB2 ASN A 51 94.058 3.513 7.349 1.00 0.00 H new ATOM 0 HB3 ASN A 51 93.755 3.319 9.064 1.00 0.00 H new ATOM 0 HD21 ASN A 51 95.539 6.458 9.338 1.00 0.00 H new ATOM 0 HD22 ASN A 51 93.945 5.697 9.347 1.00 0.00 H new ATOM 872 N ILE A 52 94.345 0.065 7.447 1.00 0.00 N ATOM 873 CA ILE A 52 93.439 -1.117 7.535 1.00 0.00 C ATOM 874 C ILE A 52 94.114 -2.229 8.344 1.00 0.00 C ATOM 875 O ILE A 52 95.193 -2.681 8.016 1.00 0.00 O ATOM 876 CB ILE A 52 93.130 -1.626 6.124 1.00 0.00 C ATOM 877 CG1 ILE A 52 92.328 -0.560 5.367 1.00 0.00 C ATOM 878 CG2 ILE A 52 92.313 -2.919 6.215 1.00 0.00 C ATOM 879 CD1 ILE A 52 92.174 -0.964 3.897 1.00 0.00 C ATOM 0 H ILE A 52 94.856 0.158 6.569 1.00 0.00 H new ATOM 0 HA ILE A 52 92.513 -0.826 8.030 1.00 0.00 H new ATOM 0 HB ILE A 52 94.061 -1.826 5.593 1.00 0.00 H new ATOM 0 HG12 ILE A 52 91.346 -0.440 5.824 1.00 0.00 H new ATOM 0 HG13 ILE A 52 92.832 0.404 5.437 1.00 0.00 H new ATOM 0 HG21 ILE A 52 92.093 -3.282 5.211 1.00 0.00 H new ATOM 0 HG22 ILE A 52 92.884 -3.673 6.756 1.00 0.00 H new ATOM 0 HG23 ILE A 52 91.380 -2.723 6.743 1.00 0.00 H new ATOM 0 HD11 ILE A 52 91.603 -0.201 3.368 1.00 0.00 H new ATOM 0 HD12 ILE A 52 93.159 -1.061 3.441 1.00 0.00 H new ATOM 0 HD13 ILE A 52 91.650 -1.918 3.835 1.00 0.00 H new ATOM 891 N LYS A 53 93.480 -2.679 9.395 1.00 0.00 N ATOM 892 CA LYS A 53 94.078 -3.768 10.220 1.00 0.00 C ATOM 893 C LYS A 53 93.759 -5.116 9.572 1.00 0.00 C ATOM 894 O LYS A 53 94.633 -5.925 9.332 1.00 0.00 O ATOM 895 CB LYS A 53 93.480 -3.724 11.630 1.00 0.00 C ATOM 896 CG LYS A 53 94.044 -4.877 12.464 1.00 0.00 C ATOM 897 CD LYS A 53 93.603 -4.719 13.920 1.00 0.00 C ATOM 898 CE LYS A 53 93.873 -6.020 14.678 1.00 0.00 C ATOM 899 NZ LYS A 53 93.676 -5.794 16.138 1.00 0.00 N ATOM 0 H LYS A 53 92.574 -2.339 9.717 1.00 0.00 H new ATOM 0 HA LYS A 53 95.158 -3.636 10.281 1.00 0.00 H new ATOM 0 HB2 LYS A 53 93.713 -2.771 12.105 1.00 0.00 H new ATOM 0 HB3 LYS A 53 92.394 -3.797 11.578 1.00 0.00 H new ATOM 0 HG2 LYS A 53 93.694 -5.831 12.069 1.00 0.00 H new ATOM 0 HG3 LYS A 53 95.132 -4.886 12.402 1.00 0.00 H new ATOM 0 HD2 LYS A 53 94.142 -3.895 14.387 1.00 0.00 H new ATOM 0 HD3 LYS A 53 92.542 -4.473 13.965 1.00 0.00 H new ATOM 0 HE2 LYS A 53 93.202 -6.804 14.327 1.00 0.00 H new ATOM 0 HE3 LYS A 53 94.890 -6.361 14.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 93.859 -6.678 16.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 94.333 -5.058 16.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 92.698 -5.488 16.313 1.00 0.00 H new ATOM 913 N ARG A 54 92.511 -5.356 9.276 1.00 0.00 N ATOM 914 CA ARG A 54 92.125 -6.643 8.631 1.00 0.00 C ATOM 915 C ARG A 54 90.705 -6.525 8.081 1.00 0.00 C ATOM 916 O ARG A 54 90.022 -5.545 8.300 1.00 0.00 O ATOM 917 CB ARG A 54 92.212 -7.812 9.633 1.00 0.00 C ATOM 918 CG ARG A 54 91.562 -7.453 10.996 1.00 0.00 C ATOM 919 CD ARG A 54 90.106 -7.944 11.040 1.00 0.00 C ATOM 920 NE ARG A 54 89.415 -7.374 12.246 1.00 0.00 N ATOM 921 CZ ARG A 54 89.860 -7.583 13.457 1.00 0.00 C ATOM 922 NH1 ARG A 54 90.821 -8.438 13.675 1.00 0.00 N ATOM 923 NH2 ARG A 54 89.302 -6.970 14.465 1.00 0.00 N ATOM 0 H ARG A 54 91.739 -4.713 9.454 1.00 0.00 H new ATOM 0 HA ARG A 54 92.818 -6.849 7.816 1.00 0.00 H new ATOM 0 HB2 ARG A 54 91.717 -8.688 9.214 1.00 0.00 H new ATOM 0 HB3 ARG A 54 93.257 -8.081 9.788 1.00 0.00 H new ATOM 0 HG2 ARG A 54 92.130 -7.907 11.808 1.00 0.00 H new ATOM 0 HG3 ARG A 54 91.594 -6.374 11.149 1.00 0.00 H new ATOM 0 HD2 ARG A 54 89.583 -7.642 10.133 1.00 0.00 H new ATOM 0 HD3 ARG A 54 90.080 -9.033 11.075 1.00 0.00 H new ATOM 0 HE ARG A 54 88.576 -6.809 12.116 1.00 0.00 H new ATOM 0 HH11 ARG A 54 91.233 -8.952 12.896 1.00 0.00 H new ATOM 0 HH12 ARG A 54 91.160 -8.593 14.624 1.00 0.00 H new ATOM 0 HH21 ARG A 54 88.523 -6.332 14.306 1.00 0.00 H new ATOM 0 HH22 ARG A 54 89.645 -7.129 15.412 1.00 0.00 H new ATOM 937 N TRP A 55 90.261 -7.512 7.351 1.00 0.00 N ATOM 938 CA TRP A 55 88.888 -7.454 6.764 1.00 0.00 C ATOM 939 C TRP A 55 88.300 -8.857 6.691 1.00 0.00 C ATOM 940 O TRP A 55 88.964 -9.833 6.951 1.00 0.00 O ATOM 941 CB TRP A 55 88.956 -6.873 5.350 1.00 0.00 C ATOM 942 CG TRP A 55 89.890 -7.694 4.519 1.00 0.00 C ATOM 943 CD1 TRP A 55 89.539 -8.795 3.812 1.00 0.00 C ATOM 944 CD2 TRP A 55 91.315 -7.500 4.291 1.00 0.00 C ATOM 945 NE1 TRP A 55 90.663 -9.292 3.174 1.00 0.00 N ATOM 946 CE2 TRP A 55 91.779 -8.527 3.435 1.00 0.00 C ATOM 947 CE3 TRP A 55 92.243 -6.543 4.741 1.00 0.00 C ATOM 948 CZ2 TRP A 55 93.112 -8.602 3.039 1.00 0.00 C ATOM 949 CZ3 TRP A 55 93.587 -6.617 4.343 1.00 0.00 C ATOM 950 CH2 TRP A 55 94.018 -7.645 3.493 1.00 0.00 C ATOM 0 H TRP A 55 90.789 -8.358 7.135 1.00 0.00 H new ATOM 0 HA TRP A 55 88.261 -6.823 7.394 1.00 0.00 H new ATOM 0 HB2 TRP A 55 87.963 -6.865 4.900 1.00 0.00 H new ATOM 0 HB3 TRP A 55 89.298 -5.839 5.386 1.00 0.00 H new ATOM 0 HD1 TRP A 55 88.546 -9.216 3.755 1.00 0.00 H new ATOM 0 HE1 TRP A 55 90.665 -10.123 2.583 1.00 0.00 H new ATOM 0 HE3 TRP A 55 91.920 -5.747 5.396 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 93.441 -9.396 2.385 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 94.293 -5.878 4.693 1.00 0.00 H new ATOM 0 HH2 TRP A 55 95.053 -7.696 3.190 1.00 0.00 H new ATOM 961 N ALA A 56 87.053 -8.959 6.333 1.00 0.00 N ATOM 962 CA ALA A 56 86.403 -10.299 6.220 1.00 0.00 C ATOM 963 C ALA A 56 85.431 -10.257 5.042 1.00 0.00 C ATOM 964 O ALA A 56 84.481 -9.505 5.043 1.00 0.00 O ATOM 965 CB ALA A 56 85.646 -10.619 7.515 1.00 0.00 C ATOM 0 H ALA A 56 86.449 -8.168 6.111 1.00 0.00 H new ATOM 0 HA ALA A 56 87.154 -11.073 6.059 1.00 0.00 H new ATOM 0 HB1 ALA A 56 85.173 -11.597 7.428 1.00 0.00 H new ATOM 0 HB2 ALA A 56 86.344 -10.626 8.352 1.00 0.00 H new ATOM 0 HB3 ALA A 56 84.882 -9.861 7.687 1.00 0.00 H new ATOM 971 N ALA A 57 85.669 -11.052 4.031 1.00 0.00 N ATOM 972 CA ALA A 57 84.766 -11.048 2.840 1.00 0.00 C ATOM 973 C ALA A 57 83.775 -12.205 2.941 1.00 0.00 C ATOM 974 O ALA A 57 84.129 -13.356 2.782 1.00 0.00 O ATOM 975 CB ALA A 57 85.605 -11.214 1.573 1.00 0.00 C ATOM 0 H ALA A 57 86.451 -11.705 3.978 1.00 0.00 H new ATOM 0 HA ALA A 57 84.220 -10.106 2.803 1.00 0.00 H new ATOM 0 HB1 ALA A 57 84.951 -11.212 0.701 1.00 0.00 H new ATOM 0 HB2 ALA A 57 86.315 -10.391 1.496 1.00 0.00 H new ATOM 0 HB3 ALA A 57 86.148 -12.158 1.617 1.00 0.00 H new ATOM 981 N SER A 58 82.528 -11.907 3.199 1.00 0.00 N ATOM 982 CA SER A 58 81.506 -12.981 3.303 1.00 0.00 C ATOM 983 C SER A 58 80.894 -13.201 1.909 1.00 0.00 C ATOM 984 O SER A 58 80.996 -12.336 1.061 1.00 0.00 O ATOM 985 CB SER A 58 80.425 -12.546 4.309 1.00 0.00 C ATOM 986 OG SER A 58 80.607 -13.262 5.524 1.00 0.00 O ATOM 0 H SER A 58 82.176 -10.960 3.342 1.00 0.00 H new ATOM 0 HA SER A 58 81.952 -13.913 3.652 1.00 0.00 H new ATOM 0 HB2 SER A 58 80.490 -11.473 4.491 1.00 0.00 H new ATOM 0 HB3 SER A 58 79.433 -12.741 3.903 1.00 0.00 H new ATOM 0 HG SER A 58 79.923 -12.989 6.170 1.00 0.00 H new ATOM 992 N PRO A 59 80.274 -14.339 1.701 1.00 0.00 N ATOM 993 CA PRO A 59 79.650 -14.643 0.402 1.00 0.00 C ATOM 994 C PRO A 59 78.625 -13.557 0.041 1.00 0.00 C ATOM 995 O PRO A 59 78.069 -13.559 -1.039 1.00 0.00 O ATOM 996 CB PRO A 59 78.965 -16.017 0.607 1.00 0.00 C ATOM 997 CG PRO A 59 79.125 -16.390 2.108 1.00 0.00 C ATOM 998 CD PRO A 59 80.136 -15.403 2.719 1.00 0.00 C ATOM 0 HA PRO A 59 80.370 -14.671 -0.416 1.00 0.00 H new ATOM 0 HB2 PRO A 59 77.911 -15.966 0.333 1.00 0.00 H new ATOM 0 HB3 PRO A 59 79.423 -16.774 -0.029 1.00 0.00 H new ATOM 0 HG2 PRO A 59 78.167 -16.327 2.624 1.00 0.00 H new ATOM 0 HG3 PRO A 59 79.477 -17.416 2.214 1.00 0.00 H new ATOM 0 HD2 PRO A 59 79.776 -15.002 3.667 1.00 0.00 H new ATOM 0 HD3 PRO A 59 81.092 -15.887 2.920 1.00 0.00 H new ATOM 1006 N LYS A 60 78.352 -12.644 0.944 1.00 0.00 N ATOM 1007 CA LYS A 60 77.343 -11.580 0.658 1.00 0.00 C ATOM 1008 C LYS A 60 77.809 -10.224 1.189 1.00 0.00 C ATOM 1009 O LYS A 60 77.482 -9.194 0.633 1.00 0.00 O ATOM 1010 CB LYS A 60 76.049 -11.958 1.370 1.00 0.00 C ATOM 1011 CG LYS A 60 76.280 -11.975 2.889 1.00 0.00 C ATOM 1012 CD LYS A 60 75.290 -12.944 3.561 1.00 0.00 C ATOM 1013 CE LYS A 60 75.871 -14.362 3.585 1.00 0.00 C ATOM 1014 NZ LYS A 60 74.867 -15.300 4.163 1.00 0.00 N ATOM 0 H LYS A 60 78.786 -12.592 1.866 1.00 0.00 H new ATOM 0 HA LYS A 60 77.202 -11.501 -0.420 1.00 0.00 H new ATOM 0 HB2 LYS A 60 75.263 -11.245 1.120 1.00 0.00 H new ATOM 0 HB3 LYS A 60 75.710 -12.938 1.033 1.00 0.00 H new ATOM 0 HG2 LYS A 60 77.304 -12.279 3.106 1.00 0.00 H new ATOM 0 HG3 LYS A 60 76.153 -10.972 3.296 1.00 0.00 H new ATOM 0 HD2 LYS A 60 75.079 -12.612 4.578 1.00 0.00 H new ATOM 0 HD3 LYS A 60 74.343 -12.940 3.021 1.00 0.00 H new ATOM 0 HE2 LYS A 60 76.138 -14.675 2.575 1.00 0.00 H new ATOM 0 HE3 LYS A 60 76.786 -14.382 4.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 75.260 -16.263 4.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 74.634 -15.005 5.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 74.005 -15.288 3.581 1.00 0.00 H new ATOM 1028 N SER A 61 78.538 -10.210 2.277 1.00 0.00 N ATOM 1029 CA SER A 61 78.998 -8.907 2.873 1.00 0.00 C ATOM 1030 C SER A 61 80.524 -8.841 2.950 1.00 0.00 C ATOM 1031 O SER A 61 81.221 -9.821 2.780 1.00 0.00 O ATOM 1032 CB SER A 61 78.424 -8.773 4.283 1.00 0.00 C ATOM 1033 OG SER A 61 79.081 -7.708 4.958 1.00 0.00 O ATOM 0 H SER A 61 78.838 -11.044 2.783 1.00 0.00 H new ATOM 0 HA SER A 61 78.648 -8.095 2.236 1.00 0.00 H new ATOM 0 HB2 SER A 61 77.352 -8.582 4.235 1.00 0.00 H new ATOM 0 HB3 SER A 61 78.558 -9.705 4.833 1.00 0.00 H new ATOM 0 HG SER A 61 78.917 -6.868 4.481 1.00 0.00 H new ATOM 1039 N PHE A 62 81.035 -7.666 3.214 1.00 0.00 N ATOM 1040 CA PHE A 62 82.510 -7.468 3.320 1.00 0.00 C ATOM 1041 C PHE A 62 82.766 -6.322 4.307 1.00 0.00 C ATOM 1042 O PHE A 62 82.074 -5.323 4.290 1.00 0.00 O ATOM 1043 CB PHE A 62 83.063 -7.131 1.926 1.00 0.00 C ATOM 1044 CG PHE A 62 84.379 -6.388 2.014 1.00 0.00 C ATOM 1045 CD1 PHE A 62 85.561 -7.083 2.297 1.00 0.00 C ATOM 1046 CD2 PHE A 62 84.415 -5.005 1.799 1.00 0.00 C ATOM 1047 CE1 PHE A 62 86.778 -6.395 2.365 1.00 0.00 C ATOM 1048 CE2 PHE A 62 85.631 -4.317 1.869 1.00 0.00 C ATOM 1049 CZ PHE A 62 86.813 -5.012 2.152 1.00 0.00 C ATOM 0 H PHE A 62 80.482 -6.822 3.363 1.00 0.00 H new ATOM 0 HA PHE A 62 83.009 -8.368 3.681 1.00 0.00 H new ATOM 0 HB2 PHE A 62 83.201 -8.050 1.356 1.00 0.00 H new ATOM 0 HB3 PHE A 62 82.338 -6.525 1.383 1.00 0.00 H new ATOM 0 HD1 PHE A 62 85.534 -8.150 2.463 1.00 0.00 H new ATOM 0 HD2 PHE A 62 83.504 -4.469 1.579 1.00 0.00 H new ATOM 0 HE1 PHE A 62 87.690 -6.931 2.582 1.00 0.00 H new ATOM 0 HE2 PHE A 62 85.658 -3.250 1.705 1.00 0.00 H new ATOM 0 HZ PHE A 62 87.752 -4.481 2.206 1.00 0.00 H new ATOM 1059 N THR A 63 83.738 -6.457 5.179 1.00 0.00 N ATOM 1060 CA THR A 63 84.005 -5.366 6.172 1.00 0.00 C ATOM 1061 C THR A 63 85.506 -5.193 6.398 1.00 0.00 C ATOM 1062 O THR A 63 86.270 -6.133 6.320 1.00 0.00 O ATOM 1063 CB THR A 63 83.317 -5.706 7.502 1.00 0.00 C ATOM 1064 OG1 THR A 63 83.278 -4.546 8.321 1.00 0.00 O ATOM 1065 CG2 THR A 63 84.082 -6.817 8.230 1.00 0.00 C ATOM 0 H THR A 63 84.353 -7.268 5.246 1.00 0.00 H new ATOM 0 HA THR A 63 83.606 -4.431 5.779 1.00 0.00 H new ATOM 0 HB THR A 63 82.303 -6.051 7.298 1.00 0.00 H new ATOM 0 HG1 THR A 63 83.792 -3.828 7.896 1.00 0.00 H new ATOM 0 HG21 THR A 63 83.582 -7.047 9.171 1.00 0.00 H new ATOM 0 HG22 THR A 63 84.108 -7.710 7.606 1.00 0.00 H new ATOM 0 HG23 THR A 63 85.100 -6.485 8.432 1.00 0.00 H new ATOM 1073 N LEU A 64 85.917 -3.988 6.704 1.00 0.00 N ATOM 1074 CA LEU A 64 87.364 -3.704 6.973 1.00 0.00 C ATOM 1075 C LEU A 64 87.500 -3.276 8.437 1.00 0.00 C ATOM 1076 O LEU A 64 86.530 -2.930 9.082 1.00 0.00 O ATOM 1077 CB LEU A 64 87.893 -2.580 6.038 1.00 0.00 C ATOM 1078 CG LEU A 64 86.723 -1.804 5.397 1.00 0.00 C ATOM 1079 CD1 LEU A 64 87.182 -0.391 5.021 1.00 0.00 C ATOM 1080 CD2 LEU A 64 86.252 -2.523 4.128 1.00 0.00 C ATOM 0 H LEU A 64 85.304 -3.176 6.780 1.00 0.00 H new ATOM 0 HA LEU A 64 87.955 -4.599 6.780 1.00 0.00 H new ATOM 0 HB2 LEU A 64 88.522 -1.895 6.606 1.00 0.00 H new ATOM 0 HB3 LEU A 64 88.518 -3.014 5.258 1.00 0.00 H new ATOM 0 HG LEU A 64 85.905 -1.750 6.115 1.00 0.00 H new ATOM 0 HD11 LEU A 64 86.353 0.153 4.569 1.00 0.00 H new ATOM 0 HD12 LEU A 64 87.515 0.134 5.917 1.00 0.00 H new ATOM 0 HD13 LEU A 64 88.006 -0.453 4.310 1.00 0.00 H new ATOM 0 HD21 LEU A 64 85.426 -1.969 3.681 1.00 0.00 H new ATOM 0 HD22 LEU A 64 87.076 -2.583 3.417 1.00 0.00 H new ATOM 0 HD23 LEU A 64 85.919 -3.529 4.382 1.00 0.00 H new ATOM 1092 N ASP A 65 88.697 -3.302 8.963 1.00 0.00 N ATOM 1093 CA ASP A 65 88.915 -2.902 10.390 1.00 0.00 C ATOM 1094 C ASP A 65 90.068 -1.904 10.477 1.00 0.00 C ATOM 1095 O ASP A 65 91.189 -2.199 10.110 1.00 0.00 O ATOM 1096 CB ASP A 65 89.259 -4.142 11.214 1.00 0.00 C ATOM 1097 CG ASP A 65 89.582 -3.726 12.650 1.00 0.00 C ATOM 1098 OD1 ASP A 65 89.300 -2.590 12.995 1.00 0.00 O ATOM 1099 OD2 ASP A 65 90.104 -4.551 13.382 1.00 0.00 O ATOM 0 H ASP A 65 89.540 -3.585 8.464 1.00 0.00 H new ATOM 0 HA ASP A 65 88.007 -2.440 10.778 1.00 0.00 H new ATOM 0 HB2 ASP A 65 88.423 -4.841 11.206 1.00 0.00 H new ATOM 0 HB3 ASP A 65 90.111 -4.660 10.774 1.00 0.00 H new ATOM 1104 N PHE A 66 89.803 -0.726 10.972 1.00 0.00 N ATOM 1105 CA PHE A 66 90.879 0.300 11.101 1.00 0.00 C ATOM 1106 C PHE A 66 91.425 0.258 12.525 1.00 0.00 C ATOM 1107 O PHE A 66 92.317 1.001 12.886 1.00 0.00 O ATOM 1108 CB PHE A 66 90.290 1.683 10.835 1.00 0.00 C ATOM 1109 CG PHE A 66 89.855 1.777 9.391 1.00 0.00 C ATOM 1110 CD1 PHE A 66 90.816 1.829 8.374 1.00 0.00 C ATOM 1111 CD2 PHE A 66 88.493 1.812 9.068 1.00 0.00 C ATOM 1112 CE1 PHE A 66 90.415 1.916 7.035 1.00 0.00 C ATOM 1113 CE2 PHE A 66 88.092 1.898 7.731 1.00 0.00 C ATOM 1114 CZ PHE A 66 89.053 1.951 6.714 1.00 0.00 C ATOM 0 H PHE A 66 88.883 -0.428 11.295 1.00 0.00 H new ATOM 0 HA PHE A 66 91.676 0.097 10.385 1.00 0.00 H new ATOM 0 HB2 PHE A 66 89.440 1.861 11.494 1.00 0.00 H new ATOM 0 HB3 PHE A 66 91.030 2.453 11.054 1.00 0.00 H new ATOM 0 HD1 PHE A 66 91.867 1.802 8.622 1.00 0.00 H new ATOM 0 HD2 PHE A 66 87.751 1.773 9.852 1.00 0.00 H new ATOM 0 HE1 PHE A 66 91.156 1.956 6.251 1.00 0.00 H new ATOM 0 HE2 PHE A 66 87.041 1.924 7.483 1.00 0.00 H new ATOM 0 HZ PHE A 66 88.743 2.019 5.682 1.00 0.00 H new ATOM 1124 N GLY A 67 90.885 -0.604 13.341 1.00 0.00 N ATOM 1125 CA GLY A 67 91.356 -0.697 14.752 1.00 0.00 C ATOM 1126 C GLY A 67 90.668 0.388 15.580 1.00 0.00 C ATOM 1127 O GLY A 67 90.902 0.522 16.765 1.00 0.00 O ATOM 0 H GLY A 67 90.136 -1.250 13.091 1.00 0.00 H new ATOM 0 HA2 GLY A 67 91.130 -1.682 15.160 1.00 0.00 H new ATOM 0 HA3 GLY A 67 92.438 -0.575 14.796 1.00 0.00 H new ATOM 1131 N ASP A 68 89.820 1.166 14.962 1.00 0.00 N ATOM 1132 CA ASP A 68 89.118 2.244 15.709 1.00 0.00 C ATOM 1133 C ASP A 68 88.026 1.635 16.592 1.00 0.00 C ATOM 1134 O ASP A 68 86.882 1.530 16.196 1.00 0.00 O ATOM 1135 CB ASP A 68 88.485 3.221 14.713 1.00 0.00 C ATOM 1136 CG ASP A 68 87.932 2.443 13.519 1.00 0.00 C ATOM 1137 OD1 ASP A 68 87.790 1.237 13.637 1.00 0.00 O ATOM 1138 OD2 ASP A 68 87.658 3.066 12.506 1.00 0.00 O ATOM 0 H ASP A 68 89.584 1.100 13.972 1.00 0.00 H new ATOM 0 HA ASP A 68 89.833 2.774 16.338 1.00 0.00 H new ATOM 0 HB2 ASP A 68 87.686 3.783 15.196 1.00 0.00 H new ATOM 0 HB3 ASP A 68 89.226 3.946 14.377 1.00 0.00 H new ATOM 1143 N TYR A 69 88.364 1.249 17.790 1.00 0.00 N ATOM 1144 CA TYR A 69 87.340 0.668 18.697 1.00 0.00 C ATOM 1145 C TYR A 69 86.150 1.622 18.762 1.00 0.00 C ATOM 1146 O TYR A 69 85.005 1.217 18.744 1.00 0.00 O ATOM 1147 CB TYR A 69 87.939 0.505 20.094 1.00 0.00 C ATOM 1148 CG TYR A 69 86.858 0.087 21.060 1.00 0.00 C ATOM 1149 CD1 TYR A 69 86.433 -1.244 21.097 1.00 0.00 C ATOM 1150 CD2 TYR A 69 86.277 1.032 21.914 1.00 0.00 C ATOM 1151 CE1 TYR A 69 85.428 -1.634 21.989 1.00 0.00 C ATOM 1152 CE2 TYR A 69 85.272 0.644 22.808 1.00 0.00 C ATOM 1153 CZ TYR A 69 84.847 -0.690 22.845 1.00 0.00 C ATOM 1154 OH TYR A 69 83.856 -1.074 23.725 1.00 0.00 O ATOM 0 H TYR A 69 89.305 1.311 18.179 1.00 0.00 H new ATOM 0 HA TYR A 69 87.018 -0.305 18.327 1.00 0.00 H new ATOM 0 HB2 TYR A 69 88.733 -0.241 20.076 1.00 0.00 H new ATOM 0 HB3 TYR A 69 88.390 1.443 20.420 1.00 0.00 H new ATOM 0 HD1 TYR A 69 86.881 -1.972 20.437 1.00 0.00 H new ATOM 0 HD2 TYR A 69 86.604 2.061 21.883 1.00 0.00 H new ATOM 0 HE1 TYR A 69 85.100 -2.663 22.017 1.00 0.00 H new ATOM 0 HE2 TYR A 69 84.825 1.372 23.468 1.00 0.00 H new ATOM 0 HH TYR A 69 83.563 -0.298 24.246 1.00 0.00 H new ATOM 1164 N GLN A 70 86.425 2.891 18.838 1.00 0.00 N ATOM 1165 CA GLN A 70 85.334 3.899 18.906 1.00 0.00 C ATOM 1166 C GLN A 70 84.475 3.810 17.643 1.00 0.00 C ATOM 1167 O GLN A 70 83.341 3.373 17.679 1.00 0.00 O ATOM 1168 CB GLN A 70 85.959 5.297 19.012 1.00 0.00 C ATOM 1169 CG GLN A 70 84.906 6.373 18.739 1.00 0.00 C ATOM 1170 CD GLN A 70 85.366 7.715 19.314 1.00 0.00 C ATOM 1171 OE1 GLN A 70 86.639 7.928 19.504 1.00 0.00 O flip ATOM 1172 NE2 GLN A 70 84.557 8.579 19.594 1.00 0.00 N flip ATOM 0 H GLN A 70 87.369 3.277 18.856 1.00 0.00 H new ATOM 0 HA GLN A 70 84.705 3.710 19.776 1.00 0.00 H new ATOM 0 HB2 GLN A 70 86.384 5.438 20.006 1.00 0.00 H new ATOM 0 HB3 GLN A 70 86.778 5.391 18.299 1.00 0.00 H new ATOM 0 HG2 GLN A 70 84.739 6.466 17.666 1.00 0.00 H new ATOM 0 HG3 GLN A 70 83.955 6.084 19.186 1.00 0.00 H new ATOM 0 HE21 GLN A 70 83.562 8.413 19.446 1.00 0.00 H new ATOM 0 HE22 GLN A 70 84.874 9.470 19.977 1.00 0.00 H new ATOM 1181 N ASP A 71 85.005 4.231 16.530 1.00 0.00 N ATOM 1182 CA ASP A 71 84.221 4.182 15.268 1.00 0.00 C ATOM 1183 C ASP A 71 83.766 2.748 15.011 1.00 0.00 C ATOM 1184 O ASP A 71 82.724 2.506 14.434 1.00 0.00 O ATOM 1185 CB ASP A 71 85.099 4.661 14.115 1.00 0.00 C ATOM 1186 CG ASP A 71 84.223 5.015 12.911 1.00 0.00 C ATOM 1187 OD1 ASP A 71 83.159 5.574 13.120 1.00 0.00 O ATOM 1188 OD2 ASP A 71 84.632 4.722 11.800 1.00 0.00 O ATOM 0 H ASP A 71 85.949 4.607 16.441 1.00 0.00 H new ATOM 0 HA ASP A 71 83.346 4.827 15.349 1.00 0.00 H new ATOM 0 HB2 ASP A 71 85.678 5.531 14.424 1.00 0.00 H new ATOM 0 HB3 ASP A 71 85.813 3.884 13.842 1.00 0.00 H new ATOM 1193 N GLY A 72 84.542 1.796 15.441 1.00 0.00 N ATOM 1194 CA GLY A 72 84.164 0.372 15.232 1.00 0.00 C ATOM 1195 C GLY A 72 84.528 -0.057 13.811 1.00 0.00 C ATOM 1196 O GLY A 72 85.118 0.690 13.056 1.00 0.00 O ATOM 0 H GLY A 72 85.425 1.942 15.930 1.00 0.00 H new ATOM 0 HA2 GLY A 72 84.678 -0.260 15.956 1.00 0.00 H new ATOM 0 HA3 GLY A 72 83.095 0.242 15.398 1.00 0.00 H new ATOM 1200 N TYR A 73 84.183 -1.259 13.445 1.00 0.00 N ATOM 1201 CA TYR A 73 84.509 -1.750 12.077 1.00 0.00 C ATOM 1202 C TYR A 73 83.590 -1.086 11.050 1.00 0.00 C ATOM 1203 O TYR A 73 82.698 -0.332 11.388 1.00 0.00 O ATOM 1204 CB TYR A 73 84.307 -3.267 12.018 1.00 0.00 C ATOM 1205 CG TYR A 73 84.940 -3.908 13.227 1.00 0.00 C ATOM 1206 CD1 TYR A 73 86.331 -3.979 13.324 1.00 0.00 C ATOM 1207 CD2 TYR A 73 84.139 -4.434 14.247 1.00 0.00 C ATOM 1208 CE1 TYR A 73 86.926 -4.574 14.441 1.00 0.00 C ATOM 1209 CE2 TYR A 73 84.732 -5.030 15.366 1.00 0.00 C ATOM 1210 CZ TYR A 73 86.127 -5.100 15.463 1.00 0.00 C ATOM 1211 OH TYR A 73 86.713 -5.688 16.565 1.00 0.00 O ATOM 0 H TYR A 73 83.687 -1.926 14.037 1.00 0.00 H new ATOM 0 HA TYR A 73 85.546 -1.503 11.850 1.00 0.00 H new ATOM 0 HB2 TYR A 73 83.243 -3.501 11.984 1.00 0.00 H new ATOM 0 HB3 TYR A 73 84.751 -3.668 11.107 1.00 0.00 H new ATOM 0 HD1 TYR A 73 86.948 -3.574 12.536 1.00 0.00 H new ATOM 0 HD2 TYR A 73 83.063 -4.380 14.171 1.00 0.00 H new ATOM 0 HE1 TYR A 73 88.002 -4.628 14.515 1.00 0.00 H new ATOM 0 HE2 TYR A 73 84.114 -5.435 16.154 1.00 0.00 H new ATOM 0 HH TYR A 73 86.016 -6.000 17.179 1.00 0.00 H new ATOM 1221 N TYR A 74 83.799 -1.386 9.794 1.00 0.00 N ATOM 1222 CA TYR A 74 82.952 -0.816 8.708 1.00 0.00 C ATOM 1223 C TYR A 74 82.516 -1.972 7.816 1.00 0.00 C ATOM 1224 O TYR A 74 83.306 -2.530 7.085 1.00 0.00 O ATOM 1225 CB TYR A 74 83.777 0.176 7.891 1.00 0.00 C ATOM 1226 CG TYR A 74 82.925 0.787 6.802 1.00 0.00 C ATOM 1227 CD1 TYR A 74 81.961 1.750 7.123 1.00 0.00 C ATOM 1228 CD2 TYR A 74 83.102 0.394 5.467 1.00 0.00 C ATOM 1229 CE1 TYR A 74 81.176 2.320 6.114 1.00 0.00 C ATOM 1230 CE2 TYR A 74 82.317 0.964 4.458 1.00 0.00 C ATOM 1231 CZ TYR A 74 81.354 1.927 4.782 1.00 0.00 C ATOM 1232 OH TYR A 74 80.580 2.490 3.788 1.00 0.00 O ATOM 0 H TYR A 74 84.535 -2.014 9.471 1.00 0.00 H new ATOM 0 HA TYR A 74 82.086 -0.298 9.121 1.00 0.00 H new ATOM 0 HB2 TYR A 74 84.167 0.959 8.541 1.00 0.00 H new ATOM 0 HB3 TYR A 74 84.636 -0.330 7.451 1.00 0.00 H new ATOM 0 HD1 TYR A 74 81.823 2.053 8.150 1.00 0.00 H new ATOM 0 HD2 TYR A 74 83.845 -0.349 5.217 1.00 0.00 H new ATOM 0 HE1 TYR A 74 80.433 3.063 6.363 1.00 0.00 H new ATOM 0 HE2 TYR A 74 82.454 0.661 3.430 1.00 0.00 H new ATOM 0 HH TYR A 74 79.650 2.547 4.091 1.00 0.00 H new ATOM 1242 N SER A 75 81.269 -2.348 7.895 1.00 0.00 N ATOM 1243 CA SER A 75 80.751 -3.497 7.084 1.00 0.00 C ATOM 1244 C SER A 75 79.604 -3.052 6.176 1.00 0.00 C ATOM 1245 O SER A 75 78.835 -2.170 6.504 1.00 0.00 O ATOM 1246 CB SER A 75 80.237 -4.582 8.031 1.00 0.00 C ATOM 1247 OG SER A 75 79.966 -5.764 7.288 1.00 0.00 O ATOM 0 H SER A 75 80.574 -1.904 8.495 1.00 0.00 H new ATOM 0 HA SER A 75 81.562 -3.878 6.464 1.00 0.00 H new ATOM 0 HB2 SER A 75 80.977 -4.786 8.804 1.00 0.00 H new ATOM 0 HB3 SER A 75 79.334 -4.241 8.537 1.00 0.00 H new ATOM 0 HG SER A 75 80.450 -5.733 6.436 1.00 0.00 H new ATOM 1253 N VAL A 76 79.483 -3.682 5.038 1.00 0.00 N ATOM 1254 CA VAL A 76 78.385 -3.341 4.087 1.00 0.00 C ATOM 1255 C VAL A 76 78.053 -4.584 3.260 1.00 0.00 C ATOM 1256 O VAL A 76 78.789 -5.551 3.260 1.00 0.00 O ATOM 1257 CB VAL A 76 78.831 -2.211 3.157 1.00 0.00 C ATOM 1258 CG1 VAL A 76 79.098 -0.949 3.978 1.00 0.00 C ATOM 1259 CG2 VAL A 76 80.112 -2.625 2.428 1.00 0.00 C ATOM 0 H VAL A 76 80.105 -4.427 4.723 1.00 0.00 H new ATOM 0 HA VAL A 76 77.506 -3.013 4.642 1.00 0.00 H new ATOM 0 HB VAL A 76 78.046 -2.011 2.428 1.00 0.00 H new ATOM 0 HG11 VAL A 76 79.416 -0.144 3.315 1.00 0.00 H new ATOM 0 HG12 VAL A 76 78.186 -0.653 4.497 1.00 0.00 H new ATOM 0 HG13 VAL A 76 79.882 -1.149 4.708 1.00 0.00 H new ATOM 0 HG21 VAL A 76 80.430 -1.820 1.765 1.00 0.00 H new ATOM 0 HG22 VAL A 76 80.897 -2.826 3.157 1.00 0.00 H new ATOM 0 HG23 VAL A 76 79.923 -3.524 1.842 1.00 0.00 H new ATOM 1269 N GLN A 77 76.952 -4.577 2.562 1.00 0.00 N ATOM 1270 CA GLN A 77 76.582 -5.766 1.749 1.00 0.00 C ATOM 1271 C GLN A 77 77.379 -5.769 0.441 1.00 0.00 C ATOM 1272 O GLN A 77 77.441 -4.779 -0.258 1.00 0.00 O ATOM 1273 CB GLN A 77 75.085 -5.708 1.436 1.00 0.00 C ATOM 1274 CG GLN A 77 74.279 -6.116 2.673 1.00 0.00 C ATOM 1275 CD GLN A 77 72.802 -6.251 2.298 1.00 0.00 C ATOM 1276 OE1 GLN A 77 72.324 -5.573 1.410 1.00 0.00 O ATOM 1277 NE2 GLN A 77 72.053 -7.104 2.942 1.00 0.00 N ATOM 0 H GLN A 77 76.293 -3.799 2.520 1.00 0.00 H new ATOM 0 HA GLN A 77 76.809 -6.675 2.306 1.00 0.00 H new ATOM 0 HB2 GLN A 77 74.808 -4.700 1.126 1.00 0.00 H new ATOM 0 HB3 GLN A 77 74.852 -6.372 0.604 1.00 0.00 H new ATOM 0 HG2 GLN A 77 74.653 -7.061 3.068 1.00 0.00 H new ATOM 0 HG3 GLN A 77 74.399 -5.371 3.460 1.00 0.00 H new ATOM 0 HE21 GLN A 77 72.454 -7.673 3.687 1.00 0.00 H new ATOM 0 HE22 GLN A 77 71.067 -7.201 2.700 1.00 0.00 H new ATOM 1286 N THR A 78 77.980 -6.886 0.101 1.00 0.00 N ATOM 1287 CA THR A 78 78.770 -6.969 -1.164 1.00 0.00 C ATOM 1288 C THR A 78 78.671 -8.376 -1.741 1.00 0.00 C ATOM 1289 O THR A 78 79.055 -9.345 -1.118 1.00 0.00 O ATOM 1290 CB THR A 78 80.246 -6.676 -0.892 1.00 0.00 C ATOM 1291 OG1 THR A 78 80.813 -7.754 -0.161 1.00 0.00 O ATOM 1292 CG2 THR A 78 80.388 -5.387 -0.090 1.00 0.00 C ATOM 0 H THR A 78 77.955 -7.746 0.650 1.00 0.00 H new ATOM 0 HA THR A 78 78.368 -6.237 -1.864 1.00 0.00 H new ATOM 0 HB THR A 78 80.767 -6.560 -1.842 1.00 0.00 H new ATOM 0 HG1 THR A 78 80.148 -8.467 -0.061 1.00 0.00 H new ATOM 0 HG21 THR A 78 81.443 -5.189 0.097 1.00 0.00 H new ATOM 0 HG22 THR A 78 79.958 -4.559 -0.653 1.00 0.00 H new ATOM 0 HG23 THR A 78 79.864 -5.490 0.860 1.00 0.00 H new ATOM 1300 N THR A 79 78.186 -8.491 -2.938 1.00 0.00 N ATOM 1301 CA THR A 79 78.089 -9.830 -3.573 1.00 0.00 C ATOM 1302 C THR A 79 79.492 -10.267 -3.992 1.00 0.00 C ATOM 1303 O THR A 79 79.786 -11.441 -4.102 1.00 0.00 O ATOM 1304 CB THR A 79 77.198 -9.739 -4.810 1.00 0.00 C ATOM 1305 OG1 THR A 79 75.891 -9.339 -4.422 1.00 0.00 O ATOM 1306 CG2 THR A 79 77.135 -11.101 -5.499 1.00 0.00 C ATOM 0 H THR A 79 77.851 -7.714 -3.508 1.00 0.00 H new ATOM 0 HA THR A 79 77.663 -10.549 -2.874 1.00 0.00 H new ATOM 0 HB THR A 79 77.612 -9.006 -5.502 1.00 0.00 H new ATOM 0 HG1 THR A 79 75.318 -9.278 -5.215 1.00 0.00 H new ATOM 0 HG21 THR A 79 76.499 -11.033 -6.381 1.00 0.00 H new ATOM 0 HG22 THR A 79 78.138 -11.404 -5.798 1.00 0.00 H new ATOM 0 HG23 THR A 79 76.723 -11.838 -4.810 1.00 0.00 H new ATOM 1314 N GLU A 80 80.359 -9.313 -4.221 1.00 0.00 N ATOM 1315 CA GLU A 80 81.761 -9.624 -4.632 1.00 0.00 C ATOM 1316 C GLU A 80 82.702 -9.316 -3.472 1.00 0.00 C ATOM 1317 O GLU A 80 83.847 -8.956 -3.660 1.00 0.00 O ATOM 1318 CB GLU A 80 82.139 -8.756 -5.835 1.00 0.00 C ATOM 1319 CG GLU A 80 81.222 -9.088 -7.017 1.00 0.00 C ATOM 1320 CD GLU A 80 81.832 -8.546 -8.312 1.00 0.00 C ATOM 1321 OE1 GLU A 80 82.432 -7.485 -8.262 1.00 0.00 O ATOM 1322 OE2 GLU A 80 81.688 -9.202 -9.331 1.00 0.00 O ATOM 0 H GLU A 80 80.151 -8.318 -4.139 1.00 0.00 H new ATOM 0 HA GLU A 80 81.841 -10.677 -4.901 1.00 0.00 H new ATOM 0 HB2 GLU A 80 82.049 -7.701 -5.577 1.00 0.00 H new ATOM 0 HB3 GLU A 80 83.180 -8.930 -6.109 1.00 0.00 H new ATOM 0 HG2 GLU A 80 81.085 -10.167 -7.092 1.00 0.00 H new ATOM 0 HG3 GLU A 80 80.236 -8.652 -6.858 1.00 0.00 H new ATOM 1329 N GLY A 81 82.219 -9.454 -2.272 1.00 0.00 N ATOM 1330 CA GLY A 81 83.064 -9.171 -1.077 1.00 0.00 C ATOM 1331 C GLY A 81 84.450 -9.796 -1.253 1.00 0.00 C ATOM 1332 O GLY A 81 85.411 -9.384 -0.635 1.00 0.00 O ATOM 0 H GLY A 81 81.266 -9.753 -2.064 1.00 0.00 H new ATOM 0 HA2 GLY A 81 83.157 -8.094 -0.935 1.00 0.00 H new ATOM 0 HA3 GLY A 81 82.587 -9.571 -0.182 1.00 0.00 H new ATOM 1336 N GLU A 82 84.557 -10.787 -2.091 1.00 0.00 N ATOM 1337 CA GLU A 82 85.875 -11.443 -2.308 1.00 0.00 C ATOM 1338 C GLU A 82 86.743 -10.553 -3.200 1.00 0.00 C ATOM 1339 O GLU A 82 87.831 -10.155 -2.834 1.00 0.00 O ATOM 1340 CB GLU A 82 85.642 -12.801 -2.984 1.00 0.00 C ATOM 1341 CG GLU A 82 86.943 -13.321 -3.592 1.00 0.00 C ATOM 1342 CD GLU A 82 86.825 -14.821 -3.875 1.00 0.00 C ATOM 1343 OE1 GLU A 82 86.493 -15.553 -2.957 1.00 0.00 O ATOM 1344 OE2 GLU A 82 87.068 -15.211 -5.005 1.00 0.00 O ATOM 0 H GLU A 82 83.786 -11.172 -2.637 1.00 0.00 H new ATOM 0 HA GLU A 82 86.385 -11.592 -1.356 1.00 0.00 H new ATOM 0 HB2 GLU A 82 85.262 -13.517 -2.255 1.00 0.00 H new ATOM 0 HB3 GLU A 82 84.883 -12.703 -3.761 1.00 0.00 H new ATOM 0 HG2 GLU A 82 87.163 -12.784 -4.515 1.00 0.00 H new ATOM 0 HG3 GLU A 82 87.773 -13.135 -2.910 1.00 0.00 H new ATOM 1351 N GLN A 83 86.266 -10.243 -4.366 1.00 0.00 N ATOM 1352 CA GLN A 83 87.052 -9.382 -5.293 1.00 0.00 C ATOM 1353 C GLN A 83 87.472 -8.124 -4.553 1.00 0.00 C ATOM 1354 O GLN A 83 88.616 -7.719 -4.583 1.00 0.00 O ATOM 1355 CB GLN A 83 86.196 -8.993 -6.500 1.00 0.00 C ATOM 1356 CG GLN A 83 85.559 -10.235 -7.115 1.00 0.00 C ATOM 1357 CD GLN A 83 84.517 -9.817 -8.148 1.00 0.00 C ATOM 1358 OE1 GLN A 83 84.614 -8.761 -8.741 1.00 0.00 O ATOM 1359 NE2 GLN A 83 83.517 -10.614 -8.388 1.00 0.00 N ATOM 0 H GLN A 83 85.361 -10.549 -4.723 1.00 0.00 H new ATOM 0 HA GLN A 83 87.929 -9.928 -5.640 1.00 0.00 H new ATOM 0 HB2 GLN A 83 85.420 -8.291 -6.194 1.00 0.00 H new ATOM 0 HB3 GLN A 83 86.811 -8.485 -7.243 1.00 0.00 H new ATOM 0 HG2 GLN A 83 86.324 -10.854 -7.585 1.00 0.00 H new ATOM 0 HG3 GLN A 83 85.093 -10.840 -6.337 1.00 0.00 H new ATOM 0 HE21 GLN A 83 83.439 -11.500 -7.888 1.00 0.00 H new ATOM 0 HE22 GLN A 83 82.811 -10.353 -9.076 1.00 0.00 H new ATOM 1368 N ILE A 84 86.551 -7.513 -3.875 1.00 0.00 N ATOM 1369 CA ILE A 84 86.889 -6.285 -3.110 1.00 0.00 C ATOM 1370 C ILE A 84 88.065 -6.607 -2.190 1.00 0.00 C ATOM 1371 O ILE A 84 88.910 -5.775 -1.924 1.00 0.00 O ATOM 1372 CB ILE A 84 85.675 -5.858 -2.281 1.00 0.00 C ATOM 1373 CG1 ILE A 84 84.468 -5.687 -3.208 1.00 0.00 C ATOM 1374 CG2 ILE A 84 85.966 -4.530 -1.574 1.00 0.00 C ATOM 1375 CD1 ILE A 84 83.266 -5.190 -2.404 1.00 0.00 C ATOM 0 H ILE A 84 85.577 -7.809 -3.816 1.00 0.00 H new ATOM 0 HA ILE A 84 87.158 -5.472 -3.784 1.00 0.00 H new ATOM 0 HB ILE A 84 85.462 -6.621 -1.533 1.00 0.00 H new ATOM 0 HG12 ILE A 84 84.705 -4.979 -4.002 1.00 0.00 H new ATOM 0 HG13 ILE A 84 84.229 -6.636 -3.688 1.00 0.00 H new ATOM 0 HG21 ILE A 84 85.098 -4.233 -0.986 1.00 0.00 H new ATOM 0 HG22 ILE A 84 86.826 -4.649 -0.915 1.00 0.00 H new ATOM 0 HG23 ILE A 84 86.181 -3.762 -2.317 1.00 0.00 H new ATOM 0 HD11 ILE A 84 82.409 -5.070 -3.067 1.00 0.00 H new ATOM 0 HD12 ILE A 84 83.024 -5.914 -1.626 1.00 0.00 H new ATOM 0 HD13 ILE A 84 83.507 -4.231 -1.945 1.00 0.00 H new ATOM 1387 N ALA A 85 88.127 -7.821 -1.711 1.00 0.00 N ATOM 1388 CA ALA A 85 89.250 -8.219 -0.816 1.00 0.00 C ATOM 1389 C ALA A 85 90.448 -8.640 -1.666 1.00 0.00 C ATOM 1390 O ALA A 85 91.576 -8.624 -1.218 1.00 0.00 O ATOM 1391 CB ALA A 85 88.812 -9.392 0.062 1.00 0.00 C ATOM 0 H ALA A 85 87.446 -8.556 -1.902 1.00 0.00 H new ATOM 0 HA ALA A 85 89.528 -7.376 -0.183 1.00 0.00 H new ATOM 0 HB1 ALA A 85 89.633 -9.683 0.717 1.00 0.00 H new ATOM 0 HB2 ALA A 85 87.955 -9.094 0.666 1.00 0.00 H new ATOM 0 HB3 ALA A 85 88.535 -10.236 -0.570 1.00 0.00 H new ATOM 1397 N GLN A 86 90.210 -9.019 -2.893 1.00 0.00 N ATOM 1398 CA GLN A 86 91.331 -9.444 -3.774 1.00 0.00 C ATOM 1399 C GLN A 86 91.987 -8.210 -4.381 1.00 0.00 C ATOM 1400 O GLN A 86 93.190 -8.140 -4.535 1.00 0.00 O ATOM 1401 CB GLN A 86 90.782 -10.331 -4.887 1.00 0.00 C ATOM 1402 CG GLN A 86 91.927 -11.077 -5.564 1.00 0.00 C ATOM 1403 CD GLN A 86 91.449 -11.658 -6.892 1.00 0.00 C ATOM 1404 OE1 GLN A 86 90.291 -11.541 -7.240 1.00 0.00 O ATOM 1405 NE2 GLN A 86 92.299 -12.285 -7.653 1.00 0.00 N ATOM 0 H GLN A 86 89.285 -9.052 -3.322 1.00 0.00 H new ATOM 0 HA GLN A 86 92.069 -9.999 -3.195 1.00 0.00 H new ATOM 0 HB2 GLN A 86 90.064 -11.042 -4.478 1.00 0.00 H new ATOM 0 HB3 GLN A 86 90.248 -9.724 -5.618 1.00 0.00 H new ATOM 0 HG2 GLN A 86 92.765 -10.401 -5.733 1.00 0.00 H new ATOM 0 HG3 GLN A 86 92.287 -11.875 -4.915 1.00 0.00 H new ATOM 0 HE21 GLN A 86 93.271 -12.382 -7.359 1.00 0.00 H new ATOM 0 HE22 GLN A 86 91.993 -12.679 -8.543 1.00 0.00 H new ATOM 1414 N LEU A 87 91.200 -7.233 -4.715 1.00 0.00 N ATOM 1415 CA LEU A 87 91.763 -5.994 -5.301 1.00 0.00 C ATOM 1416 C LEU A 87 92.474 -5.231 -4.193 1.00 0.00 C ATOM 1417 O LEU A 87 93.542 -4.683 -4.373 1.00 0.00 O ATOM 1418 CB LEU A 87 90.623 -5.144 -5.871 1.00 0.00 C ATOM 1419 CG LEU A 87 91.156 -3.785 -6.339 1.00 0.00 C ATOM 1420 CD1 LEU A 87 92.319 -3.986 -7.325 1.00 0.00 C ATOM 1421 CD2 LEU A 87 90.023 -3.020 -7.030 1.00 0.00 C ATOM 0 H LEU A 87 90.186 -7.240 -4.607 1.00 0.00 H new ATOM 0 HA LEU A 87 92.463 -6.229 -6.102 1.00 0.00 H new ATOM 0 HB2 LEU A 87 90.154 -5.665 -6.705 1.00 0.00 H new ATOM 0 HB3 LEU A 87 89.854 -4.999 -5.112 1.00 0.00 H new ATOM 0 HG LEU A 87 91.517 -3.220 -5.480 1.00 0.00 H new ATOM 0 HD11 LEU A 87 92.691 -3.015 -7.652 1.00 0.00 H new ATOM 0 HD12 LEU A 87 93.122 -4.535 -6.833 1.00 0.00 H new ATOM 0 HD13 LEU A 87 91.970 -4.550 -8.190 1.00 0.00 H new ATOM 0 HD21 LEU A 87 90.391 -2.051 -7.367 1.00 0.00 H new ATOM 0 HD22 LEU A 87 89.668 -3.592 -7.887 1.00 0.00 H new ATOM 0 HD23 LEU A 87 89.203 -2.872 -6.328 1.00 0.00 H new ATOM 1433 N ILE A 88 91.878 -5.211 -3.040 1.00 0.00 N ATOM 1434 CA ILE A 88 92.491 -4.507 -1.888 1.00 0.00 C ATOM 1435 C ILE A 88 93.715 -5.299 -1.425 1.00 0.00 C ATOM 1436 O ILE A 88 94.782 -4.756 -1.223 1.00 0.00 O ATOM 1437 CB ILE A 88 91.455 -4.426 -0.761 1.00 0.00 C ATOM 1438 CG1 ILE A 88 90.401 -3.374 -1.123 1.00 0.00 C ATOM 1439 CG2 ILE A 88 92.139 -4.038 0.557 1.00 0.00 C ATOM 1440 CD1 ILE A 88 89.247 -3.423 -0.119 1.00 0.00 C ATOM 0 H ILE A 88 90.982 -5.657 -2.844 1.00 0.00 H new ATOM 0 HA ILE A 88 92.801 -3.500 -2.168 1.00 0.00 H new ATOM 0 HB ILE A 88 90.979 -5.399 -0.637 1.00 0.00 H new ATOM 0 HG12 ILE A 88 90.851 -2.381 -1.124 1.00 0.00 H new ATOM 0 HG13 ILE A 88 90.026 -3.555 -2.130 1.00 0.00 H new ATOM 0 HG21 ILE A 88 91.394 -3.983 1.351 1.00 0.00 H new ATOM 0 HG22 ILE A 88 92.888 -4.788 0.813 1.00 0.00 H new ATOM 0 HG23 ILE A 88 92.621 -3.067 0.444 1.00 0.00 H new ATOM 0 HD11 ILE A 88 88.502 -2.672 -0.384 1.00 0.00 H new ATOM 0 HD12 ILE A 88 88.789 -4.412 -0.140 1.00 0.00 H new ATOM 0 HD13 ILE A 88 89.627 -3.220 0.882 1.00 0.00 H new ATOM 1452 N ALA A 89 93.566 -6.583 -1.263 1.00 0.00 N ATOM 1453 CA ALA A 89 94.715 -7.420 -0.819 1.00 0.00 C ATOM 1454 C ALA A 89 95.829 -7.336 -1.862 1.00 0.00 C ATOM 1455 O ALA A 89 96.966 -7.681 -1.603 1.00 0.00 O ATOM 1456 CB ALA A 89 94.261 -8.873 -0.677 1.00 0.00 C ATOM 0 H ALA A 89 92.695 -7.091 -1.419 1.00 0.00 H new ATOM 0 HA ALA A 89 95.083 -7.059 0.142 1.00 0.00 H new ATOM 0 HB1 ALA A 89 95.101 -9.487 -0.352 1.00 0.00 H new ATOM 0 HB2 ALA A 89 93.461 -8.934 0.061 1.00 0.00 H new ATOM 0 HB3 ALA A 89 93.897 -9.236 -1.638 1.00 0.00 H new ATOM 1462 N GLY A 90 95.507 -6.893 -3.048 1.00 0.00 N ATOM 1463 CA GLY A 90 96.539 -6.799 -4.122 1.00 0.00 C ATOM 1464 C GLY A 90 97.263 -5.451 -4.059 1.00 0.00 C ATOM 1465 O GLY A 90 98.379 -5.326 -4.516 1.00 0.00 O ATOM 0 H GLY A 90 94.571 -6.591 -3.320 1.00 0.00 H new ATOM 0 HA2 GLY A 90 97.259 -7.610 -4.013 1.00 0.00 H new ATOM 0 HA3 GLY A 90 96.068 -6.919 -5.098 1.00 0.00 H new ATOM 1469 N TYR A 91 96.648 -4.437 -3.506 1.00 0.00 N ATOM 1470 CA TYR A 91 97.332 -3.109 -3.438 1.00 0.00 C ATOM 1471 C TYR A 91 98.249 -3.073 -2.213 1.00 0.00 C ATOM 1472 O TYR A 91 99.205 -2.326 -2.162 1.00 0.00 O ATOM 1473 CB TYR A 91 96.286 -1.986 -3.317 1.00 0.00 C ATOM 1474 CG TYR A 91 95.722 -1.624 -4.680 1.00 0.00 C ATOM 1475 CD1 TYR A 91 96.569 -1.162 -5.702 1.00 0.00 C ATOM 1476 CD2 TYR A 91 94.344 -1.728 -4.915 1.00 0.00 C ATOM 1477 CE1 TYR A 91 96.037 -0.815 -6.949 1.00 0.00 C ATOM 1478 CE2 TYR A 91 93.816 -1.378 -6.162 1.00 0.00 C ATOM 1479 CZ TYR A 91 94.662 -0.924 -7.179 1.00 0.00 C ATOM 1480 OH TYR A 91 94.139 -0.579 -8.409 1.00 0.00 O ATOM 0 H TYR A 91 95.712 -4.469 -3.102 1.00 0.00 H new ATOM 0 HA TYR A 91 97.918 -2.962 -4.346 1.00 0.00 H new ATOM 0 HB2 TYR A 91 95.479 -2.305 -2.657 1.00 0.00 H new ATOM 0 HB3 TYR A 91 96.741 -1.106 -2.862 1.00 0.00 H new ATOM 0 HD1 TYR A 91 97.631 -1.075 -5.525 1.00 0.00 H new ATOM 0 HD2 TYR A 91 93.689 -2.079 -4.132 1.00 0.00 H new ATOM 0 HE1 TYR A 91 96.689 -0.463 -7.735 1.00 0.00 H new ATOM 0 HE2 TYR A 91 92.754 -1.458 -6.340 1.00 0.00 H new ATOM 0 HH TYR A 91 93.168 -0.715 -8.401 1.00 0.00 H new ATOM 1490 N ILE A 92 97.957 -3.864 -1.223 1.00 0.00 N ATOM 1491 CA ILE A 92 98.797 -3.866 0.003 1.00 0.00 C ATOM 1492 C ILE A 92 100.166 -4.483 -0.297 1.00 0.00 C ATOM 1493 O ILE A 92 101.143 -4.202 0.366 1.00 0.00 O ATOM 1494 CB ILE A 92 98.089 -4.678 1.086 1.00 0.00 C ATOM 1495 CG1 ILE A 92 96.730 -4.031 1.373 1.00 0.00 C ATOM 1496 CG2 ILE A 92 98.939 -4.691 2.360 1.00 0.00 C ATOM 1497 CD1 ILE A 92 95.917 -4.924 2.312 1.00 0.00 C ATOM 0 H ILE A 92 97.169 -4.512 -1.210 1.00 0.00 H new ATOM 0 HA ILE A 92 98.945 -2.842 0.345 1.00 0.00 H new ATOM 0 HB ILE A 92 97.946 -5.705 0.749 1.00 0.00 H new ATOM 0 HG12 ILE A 92 96.873 -3.049 1.824 1.00 0.00 H new ATOM 0 HG13 ILE A 92 96.186 -3.878 0.441 1.00 0.00 H new ATOM 0 HG21 ILE A 92 98.431 -5.271 3.130 1.00 0.00 H new ATOM 0 HG22 ILE A 92 99.908 -5.142 2.146 1.00 0.00 H new ATOM 0 HG23 ILE A 92 99.084 -3.669 2.711 1.00 0.00 H new ATOM 0 HD11 ILE A 92 94.952 -4.458 2.512 1.00 0.00 H new ATOM 0 HD12 ILE A 92 95.761 -5.896 1.845 1.00 0.00 H new ATOM 0 HD13 ILE A 92 96.458 -5.055 3.249 1.00 0.00 H new ATOM 1509 N ASP A 93 100.243 -5.326 -1.287 1.00 0.00 N ATOM 1510 CA ASP A 93 101.545 -5.970 -1.630 1.00 0.00 C ATOM 1511 C ASP A 93 102.360 -5.052 -2.545 1.00 0.00 C ATOM 1512 O ASP A 93 103.559 -5.198 -2.678 1.00 0.00 O ATOM 1513 CB ASP A 93 101.273 -7.293 -2.349 1.00 0.00 C ATOM 1514 CG ASP A 93 100.820 -8.345 -1.335 1.00 0.00 C ATOM 1515 OD1 ASP A 93 101.653 -8.795 -0.565 1.00 0.00 O ATOM 1516 OD2 ASP A 93 99.648 -8.684 -1.346 1.00 0.00 O ATOM 0 H ASP A 93 99.458 -5.599 -1.878 1.00 0.00 H new ATOM 0 HA ASP A 93 102.110 -6.152 -0.716 1.00 0.00 H new ATOM 0 HB2 ASP A 93 100.506 -7.153 -3.111 1.00 0.00 H new ATOM 0 HB3 ASP A 93 102.173 -7.632 -2.862 1.00 0.00 H new ATOM 1521 N ILE A 94 101.716 -4.120 -3.190 1.00 0.00 N ATOM 1522 CA ILE A 94 102.445 -3.202 -4.115 1.00 0.00 C ATOM 1523 C ILE A 94 103.004 -2.009 -3.340 1.00 0.00 C ATOM 1524 O ILE A 94 103.960 -1.383 -3.753 1.00 0.00 O ATOM 1525 CB ILE A 94 101.482 -2.707 -5.191 1.00 0.00 C ATOM 1526 CG1 ILE A 94 100.889 -3.913 -5.925 1.00 0.00 C ATOM 1527 CG2 ILE A 94 102.243 -1.826 -6.183 1.00 0.00 C ATOM 1528 CD1 ILE A 94 99.766 -3.455 -6.857 1.00 0.00 C ATOM 0 H ILE A 94 100.712 -3.952 -3.117 1.00 0.00 H new ATOM 0 HA ILE A 94 103.272 -3.740 -4.578 1.00 0.00 H new ATOM 0 HB ILE A 94 100.680 -2.127 -4.733 1.00 0.00 H new ATOM 0 HG12 ILE A 94 101.666 -4.419 -6.499 1.00 0.00 H new ATOM 0 HG13 ILE A 94 100.504 -4.635 -5.205 1.00 0.00 H new ATOM 0 HG21 ILE A 94 101.559 -1.470 -6.953 1.00 0.00 H new ATOM 0 HG22 ILE A 94 102.672 -0.973 -5.657 1.00 0.00 H new ATOM 0 HG23 ILE A 94 103.041 -2.406 -6.647 1.00 0.00 H new ATOM 0 HD11 ILE A 94 99.349 -4.318 -7.376 1.00 0.00 H new ATOM 0 HD12 ILE A 94 98.984 -2.970 -6.273 1.00 0.00 H new ATOM 0 HD13 ILE A 94 100.164 -2.750 -7.587 1.00 0.00 H new ATOM 1540 N ILE A 95 102.420 -1.691 -2.221 1.00 0.00 N ATOM 1541 CA ILE A 95 102.926 -0.538 -1.421 1.00 0.00 C ATOM 1542 C ILE A 95 104.090 -1.009 -0.558 1.00 0.00 C ATOM 1543 O ILE A 95 105.032 -0.286 -0.306 1.00 0.00 O ATOM 1544 CB ILE A 95 101.814 -0.006 -0.519 1.00 0.00 C ATOM 1545 CG1 ILE A 95 101.245 -1.149 0.327 1.00 0.00 C ATOM 1546 CG2 ILE A 95 100.705 0.597 -1.380 1.00 0.00 C ATOM 1547 CD1 ILE A 95 100.047 -0.641 1.134 1.00 0.00 C ATOM 0 H ILE A 95 101.616 -2.177 -1.824 1.00 0.00 H new ATOM 0 HA ILE A 95 103.254 0.256 -2.092 1.00 0.00 H new ATOM 0 HB ILE A 95 102.219 0.761 0.141 1.00 0.00 H new ATOM 0 HG12 ILE A 95 100.940 -1.974 -0.316 1.00 0.00 H new ATOM 0 HG13 ILE A 95 102.012 -1.535 0.999 1.00 0.00 H new ATOM 0 HG21 ILE A 95 99.911 0.977 -0.737 1.00 0.00 H new ATOM 0 HG22 ILE A 95 101.111 1.414 -1.976 1.00 0.00 H new ATOM 0 HG23 ILE A 95 100.301 -0.169 -2.042 1.00 0.00 H new ATOM 0 HD11 ILE A 95 99.642 -1.455 1.736 1.00 0.00 H new ATOM 0 HD12 ILE A 95 100.367 0.170 1.788 1.00 0.00 H new ATOM 0 HD13 ILE A 95 99.278 -0.276 0.453 1.00 0.00 H new ATOM 1559 N LEU A 96 104.019 -2.221 -0.102 1.00 0.00 N ATOM 1560 CA LEU A 96 105.104 -2.767 0.756 1.00 0.00 C ATOM 1561 C LEU A 96 106.277 -3.211 -0.123 1.00 0.00 C ATOM 1562 O LEU A 96 107.403 -3.301 0.324 1.00 0.00 O ATOM 1563 CB LEU A 96 104.548 -3.970 1.531 1.00 0.00 C ATOM 1564 CG LEU A 96 103.837 -3.497 2.816 1.00 0.00 C ATOM 1565 CD1 LEU A 96 102.799 -4.539 3.242 1.00 0.00 C ATOM 1566 CD2 LEU A 96 104.860 -3.318 3.949 1.00 0.00 C ATOM 0 H LEU A 96 103.250 -2.865 -0.287 1.00 0.00 H new ATOM 0 HA LEU A 96 105.455 -2.006 1.452 1.00 0.00 H new ATOM 0 HB2 LEU A 96 103.850 -4.524 0.904 1.00 0.00 H new ATOM 0 HB3 LEU A 96 105.358 -4.653 1.786 1.00 0.00 H new ATOM 0 HG LEU A 96 103.346 -2.544 2.616 1.00 0.00 H new ATOM 0 HD11 LEU A 96 102.298 -4.203 4.150 1.00 0.00 H new ATOM 0 HD12 LEU A 96 102.064 -4.666 2.447 1.00 0.00 H new ATOM 0 HD13 LEU A 96 103.296 -5.490 3.432 1.00 0.00 H new ATOM 0 HD21 LEU A 96 104.348 -2.984 4.852 1.00 0.00 H new ATOM 0 HD22 LEU A 96 105.357 -4.268 4.144 1.00 0.00 H new ATOM 0 HD23 LEU A 96 105.601 -2.575 3.656 1.00 0.00 H new ATOM 1681 N TRP B 2 88.537 -15.048 9.298 1.00 0.00 N ATOM 1682 CA TRP B 2 88.966 -13.657 8.966 1.00 0.00 C ATOM 1683 C TRP B 2 90.185 -13.707 8.036 1.00 0.00 C ATOM 1684 O TRP B 2 90.676 -14.761 7.686 1.00 0.00 O ATOM 1685 CB TRP B 2 89.341 -12.915 10.265 1.00 0.00 C ATOM 1686 CG TRP B 2 88.120 -12.323 10.898 1.00 0.00 C ATOM 1687 CD1 TRP B 2 87.328 -12.948 11.795 1.00 0.00 C ATOM 1688 CD2 TRP B 2 87.550 -10.998 10.700 1.00 0.00 C ATOM 1689 NE1 TRP B 2 86.303 -12.091 12.160 1.00 0.00 N ATOM 1690 CE2 TRP B 2 86.398 -10.876 11.510 1.00 0.00 C ATOM 1691 CE3 TRP B 2 87.919 -9.903 9.902 1.00 0.00 C ATOM 1692 CZ2 TRP B 2 85.638 -9.704 11.527 1.00 0.00 C ATOM 1693 CZ3 TRP B 2 87.158 -8.724 9.915 1.00 0.00 C ATOM 1694 CH2 TRP B 2 86.021 -8.625 10.725 1.00 0.00 C ATOM 0 HA TRP B 2 88.151 -13.132 8.468 1.00 0.00 H new ATOM 0 HB2 TRP B 2 89.821 -13.604 10.960 1.00 0.00 H new ATOM 0 HB3 TRP B 2 90.063 -12.128 10.047 1.00 0.00 H new ATOM 0 HD1 TRP B 2 87.470 -13.952 12.167 1.00 0.00 H new ATOM 0 HE1 TRP B 2 85.568 -12.328 12.827 1.00 0.00 H new ATOM 0 HE3 TRP B 2 88.795 -9.969 9.274 1.00 0.00 H new ATOM 0 HZ2 TRP B 2 84.762 -9.632 12.154 1.00 0.00 H new ATOM 0 HZ3 TRP B 2 87.451 -7.889 9.297 1.00 0.00 H new ATOM 0 HH2 TRP B 2 85.439 -7.715 10.730 1.00 0.00 H new ATOM 1705 N VAL B 3 90.678 -12.561 7.651 1.00 0.00 N ATOM 1706 CA VAL B 3 91.869 -12.492 6.760 1.00 0.00 C ATOM 1707 C VAL B 3 92.662 -11.239 7.139 1.00 0.00 C ATOM 1708 O VAL B 3 92.096 -10.198 7.406 1.00 0.00 O ATOM 1709 CB VAL B 3 91.419 -12.429 5.295 1.00 0.00 C ATOM 1710 CG1 VAL B 3 90.274 -11.434 5.158 1.00 0.00 C ATOM 1711 CG2 VAL B 3 92.591 -11.990 4.407 1.00 0.00 C ATOM 0 H VAL B 3 90.298 -11.654 7.922 1.00 0.00 H new ATOM 0 HA VAL B 3 92.495 -13.377 6.879 1.00 0.00 H new ATOM 0 HB VAL B 3 91.083 -13.417 4.980 1.00 0.00 H new ATOM 0 HG11 VAL B 3 89.954 -11.389 4.117 1.00 0.00 H new ATOM 0 HG12 VAL B 3 89.438 -11.753 5.781 1.00 0.00 H new ATOM 0 HG13 VAL B 3 90.609 -10.447 5.478 1.00 0.00 H new ATOM 0 HG21 VAL B 3 92.264 -11.947 3.368 1.00 0.00 H new ATOM 0 HG22 VAL B 3 92.935 -11.004 4.720 1.00 0.00 H new ATOM 0 HG23 VAL B 3 93.407 -12.706 4.502 1.00 0.00 H new ATOM 1745 N SER B 5 96.749 -8.973 6.786 1.00 0.00 N ATOM 1746 CA SER B 5 97.759 -8.560 5.769 1.00 0.00 C ATOM 1747 C SER B 5 99.080 -8.258 6.499 1.00 0.00 C ATOM 1748 O SER B 5 99.081 -8.099 7.703 1.00 0.00 O ATOM 1749 CB SER B 5 97.253 -7.300 5.039 1.00 0.00 C ATOM 1750 OG SER B 5 98.132 -6.209 5.288 1.00 0.00 O ATOM 0 HA SER B 5 97.917 -9.351 5.036 1.00 0.00 H new ATOM 0 HB2 SER B 5 97.191 -7.491 3.968 1.00 0.00 H new ATOM 0 HB3 SER B 5 96.247 -7.052 5.378 1.00 0.00 H new ATOM 0 HG SER B 5 98.167 -6.030 6.251 1.00 0.00 H new ATOM 1756 N PRO B 6 100.171 -8.182 5.765 1.00 0.00 N ATOM 1757 CA PRO B 6 101.482 -7.893 6.375 1.00 0.00 C ATOM 1758 C PRO B 6 101.442 -6.510 7.055 1.00 0.00 C ATOM 1759 O PRO B 6 101.094 -6.395 8.213 1.00 0.00 O ATOM 1760 CB PRO B 6 102.485 -7.938 5.195 1.00 0.00 C ATOM 1761 CG PRO B 6 101.651 -8.073 3.887 1.00 0.00 C ATOM 1762 CD PRO B 6 100.194 -8.373 4.298 1.00 0.00 C ATOM 0 HA PRO B 6 101.765 -8.604 7.151 1.00 0.00 H new ATOM 0 HB2 PRO B 6 103.093 -7.034 5.172 1.00 0.00 H new ATOM 0 HB3 PRO B 6 103.169 -8.779 5.304 1.00 0.00 H new ATOM 0 HG2 PRO B 6 101.703 -7.155 3.302 1.00 0.00 H new ATOM 0 HG3 PRO B 6 102.046 -8.873 3.261 1.00 0.00 H new ATOM 0 HD2 PRO B 6 99.496 -7.700 3.800 1.00 0.00 H new ATOM 0 HD3 PRO B 6 99.907 -9.389 4.026 1.00 0.00 H new ATOM 1770 N LEU B 7 101.786 -5.465 6.346 1.00 0.00 N ATOM 1771 CA LEU B 7 101.763 -4.101 6.949 1.00 0.00 C ATOM 1772 C LEU B 7 102.439 -4.127 8.323 1.00 0.00 C ATOM 1773 O LEU B 7 102.989 -5.128 8.737 1.00 0.00 O ATOM 1774 CB LEU B 7 100.312 -3.641 7.096 1.00 0.00 C ATOM 1775 CG LEU B 7 99.712 -3.336 5.710 1.00 0.00 C ATOM 1776 CD1 LEU B 7 98.186 -3.245 5.820 1.00 0.00 C ATOM 1777 CD2 LEU B 7 100.263 -2.003 5.159 1.00 0.00 C ATOM 0 H LEU B 7 102.083 -5.500 5.371 1.00 0.00 H new ATOM 0 HA LEU B 7 102.303 -3.409 6.303 1.00 0.00 H new ATOM 0 HB2 LEU B 7 99.726 -4.414 7.593 1.00 0.00 H new ATOM 0 HB3 LEU B 7 100.266 -2.752 7.725 1.00 0.00 H new ATOM 0 HG LEU B 7 99.989 -4.140 5.028 1.00 0.00 H new ATOM 0 HD11 LEU B 7 97.763 -3.029 4.839 1.00 0.00 H new ATOM 0 HD12 LEU B 7 97.790 -4.193 6.185 1.00 0.00 H new ATOM 0 HD13 LEU B 7 97.918 -2.448 6.514 1.00 0.00 H new ATOM 0 HD21 LEU B 7 99.827 -1.806 4.180 1.00 0.00 H new ATOM 0 HD22 LEU B 7 100.004 -1.193 5.841 1.00 0.00 H new ATOM 0 HD23 LEU B 7 101.347 -2.068 5.067 1.00 0.00 H new