USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=24 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 81:sc= 0.786 USER MOD Set 1.2: A 34 MET CE :methyl 160:sc= -0.328 (180deg=-1.44!) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 163:sc= -0.0317 (180deg=-0.294) USER MOD Single : A 14 LYS NZ :NH3+ -107:sc= -5.01! (180deg=-8.74!) USER MOD Single : A 30 LYS NZ :NH3+ 148:sc= -0.13 (180deg=-0.864) USER MOD Single : A 32 CYS SG : rot 180:sc= -0.407 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.541 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -0.0116 K(o=-0.012,f=-1.4!) 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= -1.26 K(o=-1.3,f=-3.7!) USER MOD Single : A 53 LYS NZ :NH3+ -117:sc= -1.73 (180deg=-3.86!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0211) USER MOD Single : A 61 SER OG : rot 49:sc= 0.486 USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.017 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.0673 K(o=-0.067,f=-0.72) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot -24:sc= -0.461 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -0.0327 X(o=-0.033,f=-0.033) USER MOD Single : A 78 THR OG1 : rot 14:sc= -1.11! USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN :FLIP amide:sc= -3.39! C(o=-5.6!,f=-3.4!) USER MOD Single : A 86 GLN : amide:sc= -0.0821 K(o=-0.082,f=-2!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : B 5 SER OG : rot -64:sc= -0.388 USER MOD ----------------------------------------------------------------- ATOM 86 N VAL A 6 89.757 4.873 -10.920 1.00 0.00 N ATOM 87 CA VAL A 6 89.628 4.180 -9.597 1.00 0.00 C ATOM 88 C VAL A 6 88.579 3.073 -9.720 1.00 0.00 C ATOM 89 O VAL A 6 87.565 3.238 -10.370 1.00 0.00 O ATOM 90 CB VAL A 6 89.194 5.189 -8.536 1.00 0.00 C ATOM 91 CG1 VAL A 6 89.189 4.516 -7.164 1.00 0.00 C ATOM 92 CG2 VAL A 6 90.178 6.359 -8.524 1.00 0.00 C ATOM 0 HA VAL A 6 90.585 3.747 -9.307 1.00 0.00 H new ATOM 0 HB VAL A 6 88.192 5.553 -8.764 1.00 0.00 H new ATOM 0 HG11 VAL A 6 88.879 5.236 -6.407 1.00 0.00 H new ATOM 0 HG12 VAL A 6 88.493 3.677 -7.173 1.00 0.00 H new ATOM 0 HG13 VAL A 6 90.191 4.154 -6.933 1.00 0.00 H new ATOM 0 HG21 VAL A 6 89.873 7.083 -7.768 1.00 0.00 H new ATOM 0 HG22 VAL A 6 91.178 5.991 -8.292 1.00 0.00 H new ATOM 0 HG23 VAL A 6 90.186 6.838 -9.503 1.00 0.00 H new ATOM 102 N SER A 7 88.814 1.939 -9.115 1.00 0.00 N ATOM 103 CA SER A 7 87.832 0.823 -9.216 1.00 0.00 C ATOM 104 C SER A 7 86.712 1.010 -8.192 1.00 0.00 C ATOM 105 O SER A 7 86.851 0.681 -7.032 1.00 0.00 O ATOM 106 CB SER A 7 88.541 -0.497 -8.951 1.00 0.00 C ATOM 107 OG SER A 7 89.774 -0.520 -9.658 1.00 0.00 O ATOM 0 H SER A 7 89.643 1.738 -8.556 1.00 0.00 H new ATOM 0 HA SER A 7 87.401 0.819 -10.217 1.00 0.00 H new ATOM 0 HB2 SER A 7 88.719 -0.619 -7.883 1.00 0.00 H new ATOM 0 HB3 SER A 7 87.913 -1.330 -9.266 1.00 0.00 H new ATOM 0 HG SER A 7 90.233 -1.369 -9.487 1.00 0.00 H new ATOM 113 N PHE A 8 85.599 1.517 -8.630 1.00 0.00 N ATOM 114 CA PHE A 8 84.441 1.725 -7.712 1.00 0.00 C ATOM 115 C PHE A 8 83.644 0.423 -7.612 1.00 0.00 C ATOM 116 O PHE A 8 83.561 -0.334 -8.558 1.00 0.00 O ATOM 117 CB PHE A 8 83.545 2.828 -8.279 1.00 0.00 C ATOM 118 CG PHE A 8 83.381 2.631 -9.767 1.00 0.00 C ATOM 119 CD1 PHE A 8 82.492 1.664 -10.250 1.00 0.00 C ATOM 120 CD2 PHE A 8 84.117 3.416 -10.664 1.00 0.00 C ATOM 121 CE1 PHE A 8 82.337 1.483 -11.630 1.00 0.00 C ATOM 122 CE2 PHE A 8 83.963 3.234 -12.043 1.00 0.00 C ATOM 123 CZ PHE A 8 83.072 2.267 -12.526 1.00 0.00 C ATOM 0 H PHE A 8 85.436 1.801 -9.596 1.00 0.00 H new ATOM 0 HA PHE A 8 84.796 2.015 -6.723 1.00 0.00 H new ATOM 0 HB2 PHE A 8 82.571 2.807 -7.790 1.00 0.00 H new ATOM 0 HB3 PHE A 8 83.982 3.806 -8.077 1.00 0.00 H new ATOM 0 HD1 PHE A 8 81.926 1.058 -9.559 1.00 0.00 H new ATOM 0 HD2 PHE A 8 84.803 4.162 -10.291 1.00 0.00 H new ATOM 0 HE1 PHE A 8 81.650 0.738 -12.003 1.00 0.00 H new ATOM 0 HE2 PHE A 8 84.531 3.839 -12.735 1.00 0.00 H new ATOM 0 HZ PHE A 8 82.952 2.127 -13.590 1.00 0.00 H new ATOM 133 N PHE A 9 83.053 0.162 -6.473 1.00 0.00 N ATOM 134 CA PHE A 9 82.248 -1.089 -6.295 1.00 0.00 C ATOM 135 C PHE A 9 80.870 -0.715 -5.745 1.00 0.00 C ATOM 136 O PHE A 9 80.756 -0.004 -4.767 1.00 0.00 O ATOM 137 CB PHE A 9 82.955 -2.012 -5.294 1.00 0.00 C ATOM 138 CG PHE A 9 84.099 -2.736 -5.971 1.00 0.00 C ATOM 139 CD1 PHE A 9 85.295 -2.059 -6.236 1.00 0.00 C ATOM 140 CD2 PHE A 9 83.966 -4.085 -6.326 1.00 0.00 C ATOM 141 CE1 PHE A 9 86.357 -2.729 -6.855 1.00 0.00 C ATOM 142 CE2 PHE A 9 85.029 -4.755 -6.947 1.00 0.00 C ATOM 143 CZ PHE A 9 86.224 -4.077 -7.210 1.00 0.00 C ATOM 0 H PHE A 9 83.093 0.766 -5.652 1.00 0.00 H new ATOM 0 HA PHE A 9 82.144 -1.601 -7.252 1.00 0.00 H new ATOM 0 HB2 PHE A 9 83.330 -1.429 -4.453 1.00 0.00 H new ATOM 0 HB3 PHE A 9 82.246 -2.734 -4.890 1.00 0.00 H new ATOM 0 HD1 PHE A 9 85.399 -1.019 -5.963 1.00 0.00 H new ATOM 0 HD2 PHE A 9 83.044 -4.609 -6.121 1.00 0.00 H new ATOM 0 HE1 PHE A 9 87.280 -2.206 -7.059 1.00 0.00 H new ATOM 0 HE2 PHE A 9 84.926 -5.794 -7.222 1.00 0.00 H new ATOM 0 HZ PHE A 9 87.044 -4.593 -7.687 1.00 0.00 H new ATOM 153 N LEU A 10 79.821 -1.192 -6.359 1.00 0.00 N ATOM 154 CA LEU A 10 78.460 -0.859 -5.858 1.00 0.00 C ATOM 155 C LEU A 10 78.163 -1.705 -4.629 1.00 0.00 C ATOM 156 O LEU A 10 77.824 -2.868 -4.726 1.00 0.00 O ATOM 157 CB LEU A 10 77.419 -1.160 -6.942 1.00 0.00 C ATOM 158 CG LEU A 10 76.014 -0.696 -6.487 1.00 0.00 C ATOM 159 CD1 LEU A 10 75.827 0.792 -6.782 1.00 0.00 C ATOM 160 CD2 LEU A 10 74.943 -1.490 -7.243 1.00 0.00 C ATOM 0 H LEU A 10 79.849 -1.795 -7.181 1.00 0.00 H new ATOM 0 HA LEU A 10 78.416 0.200 -5.602 1.00 0.00 H new ATOM 0 HB2 LEU A 10 77.693 -0.655 -7.868 1.00 0.00 H new ATOM 0 HB3 LEU A 10 77.405 -2.229 -7.154 1.00 0.00 H new ATOM 0 HG LEU A 10 75.919 -0.866 -5.415 1.00 0.00 H new ATOM 0 HD11 LEU A 10 74.835 1.105 -6.457 1.00 0.00 H new ATOM 0 HD12 LEU A 10 76.583 1.367 -6.247 1.00 0.00 H new ATOM 0 HD13 LEU A 10 75.930 0.966 -7.853 1.00 0.00 H new ATOM 0 HD21 LEU A 10 73.954 -1.163 -6.922 1.00 0.00 H new ATOM 0 HD22 LEU A 10 75.052 -1.320 -8.314 1.00 0.00 H new ATOM 0 HD23 LEU A 10 75.060 -2.553 -7.031 1.00 0.00 H new ATOM 172 N VAL A 11 78.255 -1.108 -3.475 1.00 0.00 N ATOM 173 CA VAL A 11 77.948 -1.831 -2.211 1.00 0.00 C ATOM 174 C VAL A 11 76.701 -1.188 -1.623 1.00 0.00 C ATOM 175 O VAL A 11 76.477 -0.005 -1.787 1.00 0.00 O ATOM 176 CB VAL A 11 79.120 -1.704 -1.235 1.00 0.00 C ATOM 177 CG1 VAL A 11 80.412 -2.176 -1.916 1.00 0.00 C ATOM 178 CG2 VAL A 11 79.278 -0.245 -0.801 1.00 0.00 C ATOM 0 H VAL A 11 78.534 -0.135 -3.352 1.00 0.00 H new ATOM 0 HA VAL A 11 77.785 -2.892 -2.398 1.00 0.00 H new ATOM 0 HB VAL A 11 78.923 -2.322 -0.359 1.00 0.00 H new ATOM 0 HG11 VAL A 11 81.245 -2.085 -1.219 1.00 0.00 H new ATOM 0 HG12 VAL A 11 80.304 -3.218 -2.218 1.00 0.00 H new ATOM 0 HG13 VAL A 11 80.605 -1.561 -2.795 1.00 0.00 H new ATOM 0 HG21 VAL A 11 80.114 -0.161 -0.106 1.00 0.00 H new ATOM 0 HG22 VAL A 11 79.469 0.376 -1.676 1.00 0.00 H new ATOM 0 HG23 VAL A 11 78.364 0.090 -0.311 1.00 0.00 H new ATOM 188 N LYS A 12 75.879 -1.949 -0.956 1.00 0.00 N ATOM 189 CA LYS A 12 74.627 -1.377 -0.373 1.00 0.00 C ATOM 190 C LYS A 12 74.780 -1.289 1.142 1.00 0.00 C ATOM 191 O LYS A 12 75.247 -2.205 1.790 1.00 0.00 O ATOM 192 CB LYS A 12 73.430 -2.287 -0.741 1.00 0.00 C ATOM 193 CG LYS A 12 72.584 -1.637 -1.845 1.00 0.00 C ATOM 194 CD LYS A 12 71.529 -2.633 -2.323 1.00 0.00 C ATOM 195 CE LYS A 12 70.678 -1.992 -3.420 1.00 0.00 C ATOM 196 NZ LYS A 12 71.509 -1.787 -4.640 1.00 0.00 N ATOM 0 H LYS A 12 76.018 -2.945 -0.788 1.00 0.00 H new ATOM 0 HA LYS A 12 74.447 -0.379 -0.773 1.00 0.00 H new ATOM 0 HB2 LYS A 12 73.793 -3.258 -1.076 1.00 0.00 H new ATOM 0 HB3 LYS A 12 72.815 -2.464 0.141 1.00 0.00 H new ATOM 0 HG2 LYS A 12 72.104 -0.734 -1.468 1.00 0.00 H new ATOM 0 HG3 LYS A 12 73.220 -1.336 -2.677 1.00 0.00 H new ATOM 0 HD2 LYS A 12 72.011 -3.534 -2.702 1.00 0.00 H new ATOM 0 HD3 LYS A 12 70.897 -2.937 -1.489 1.00 0.00 H new ATOM 0 HE2 LYS A 12 69.825 -2.629 -3.652 1.00 0.00 H new ATOM 0 HE3 LYS A 12 70.279 -1.038 -3.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 70.889 -1.628 -5.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 72.124 -0.959 -4.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 72.094 -2.630 -4.807 1.00 0.00 H new ATOM 210 N GLU A 13 74.370 -0.187 1.703 1.00 0.00 N ATOM 211 CA GLU A 13 74.458 0.002 3.179 1.00 0.00 C ATOM 212 C GLU A 13 73.046 -0.075 3.745 1.00 0.00 C ATOM 213 O GLU A 13 72.083 0.077 3.026 1.00 0.00 O ATOM 214 CB GLU A 13 75.063 1.369 3.486 1.00 0.00 C ATOM 215 CG GLU A 13 76.386 1.518 2.734 1.00 0.00 C ATOM 216 CD GLU A 13 77.130 2.751 3.248 1.00 0.00 C ATOM 217 OE1 GLU A 13 76.671 3.336 4.215 1.00 0.00 O ATOM 218 OE2 GLU A 13 78.147 3.091 2.665 1.00 0.00 O ATOM 0 H GLU A 13 73.972 0.603 1.195 1.00 0.00 H new ATOM 0 HA GLU A 13 75.089 -0.767 3.626 1.00 0.00 H new ATOM 0 HB2 GLU A 13 74.373 2.159 3.191 1.00 0.00 H new ATOM 0 HB3 GLU A 13 75.227 1.474 4.558 1.00 0.00 H new ATOM 0 HG2 GLU A 13 76.998 0.627 2.873 1.00 0.00 H new ATOM 0 HG3 GLU A 13 76.200 1.613 1.664 1.00 0.00 H new ATOM 225 N LYS A 14 72.914 -0.321 5.020 1.00 0.00 N ATOM 226 CA LYS A 14 71.556 -0.426 5.643 1.00 0.00 C ATOM 227 C LYS A 14 71.356 0.728 6.622 1.00 0.00 C ATOM 228 O LYS A 14 71.839 0.695 7.737 1.00 0.00 O ATOM 229 CB LYS A 14 71.435 -1.757 6.408 1.00 0.00 C ATOM 230 CG LYS A 14 72.063 -2.913 5.609 1.00 0.00 C ATOM 231 CD LYS A 14 71.212 -3.243 4.370 1.00 0.00 C ATOM 232 CE LYS A 14 69.817 -3.747 4.790 1.00 0.00 C ATOM 233 NZ LYS A 14 69.357 -4.782 3.822 1.00 0.00 N ATOM 0 H LYS A 14 73.693 -0.455 5.665 1.00 0.00 H new ATOM 0 HA LYS A 14 70.800 -0.385 4.859 1.00 0.00 H new ATOM 0 HB2 LYS A 14 71.928 -1.670 7.376 1.00 0.00 H new ATOM 0 HB3 LYS A 14 70.385 -1.974 6.603 1.00 0.00 H new ATOM 0 HG2 LYS A 14 73.073 -2.642 5.301 1.00 0.00 H new ATOM 0 HG3 LYS A 14 72.149 -3.795 6.243 1.00 0.00 H new ATOM 0 HD2 LYS A 14 71.111 -2.356 3.744 1.00 0.00 H new ATOM 0 HD3 LYS A 14 71.713 -4.002 3.769 1.00 0.00 H new ATOM 0 HE2 LYS A 14 69.856 -4.165 5.796 1.00 0.00 H new ATOM 0 HE3 LYS A 14 69.110 -2.917 4.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 68.607 -4.386 3.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 70.156 -5.081 3.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 68.986 -5.603 4.342 1.00 0.00 H new ATOM 351 N LEU A 21 67.879 -0.486 1.986 1.00 0.00 N ATOM 352 CA LEU A 21 69.360 -0.455 1.782 1.00 0.00 C ATOM 353 C LEU A 21 69.726 0.835 1.048 1.00 0.00 C ATOM 354 O LEU A 21 68.894 1.443 0.403 1.00 0.00 O ATOM 355 CB LEU A 21 69.806 -1.676 0.946 1.00 0.00 C ATOM 356 CG LEU A 21 68.869 -2.881 1.213 1.00 0.00 C ATOM 357 CD1 LEU A 21 67.734 -2.902 0.183 1.00 0.00 C ATOM 358 CD2 LEU A 21 69.651 -4.198 1.111 1.00 0.00 C ATOM 0 HA LEU A 21 69.865 -0.491 2.747 1.00 0.00 H new ATOM 0 HB2 LEU A 21 69.792 -1.424 -0.114 1.00 0.00 H new ATOM 0 HB3 LEU A 21 70.833 -1.942 1.197 1.00 0.00 H new ATOM 0 HG LEU A 21 68.457 -2.777 2.217 1.00 0.00 H new ATOM 0 HD11 LEU A 21 67.081 -3.752 0.379 1.00 0.00 H new ATOM 0 HD12 LEU A 21 67.159 -1.979 0.256 1.00 0.00 H new ATOM 0 HD13 LEU A 21 68.154 -2.990 -0.819 1.00 0.00 H new ATOM 0 HD21 LEU A 21 68.980 -5.035 1.301 1.00 0.00 H new ATOM 0 HD22 LEU A 21 70.075 -4.293 0.111 1.00 0.00 H new ATOM 0 HD23 LEU A 21 70.454 -4.202 1.848 1.00 0.00 H new ATOM 370 N VAL A 22 70.961 1.257 1.144 1.00 0.00 N ATOM 371 CA VAL A 22 71.392 2.517 0.453 1.00 0.00 C ATOM 372 C VAL A 22 72.603 2.210 -0.465 1.00 0.00 C ATOM 373 O VAL A 22 73.658 1.883 0.041 1.00 0.00 O ATOM 374 CB VAL A 22 71.813 3.529 1.529 1.00 0.00 C ATOM 375 CG1 VAL A 22 72.574 4.700 0.895 1.00 0.00 C ATOM 376 CG2 VAL A 22 70.568 4.068 2.236 1.00 0.00 C ATOM 0 H VAL A 22 71.694 0.784 1.672 1.00 0.00 H new ATOM 0 HA VAL A 22 70.578 2.919 -0.150 1.00 0.00 H new ATOM 0 HB VAL A 22 72.463 3.027 2.245 1.00 0.00 H new ATOM 0 HG11 VAL A 22 72.865 5.408 1.671 1.00 0.00 H new ATOM 0 HG12 VAL A 22 73.466 4.325 0.393 1.00 0.00 H new ATOM 0 HG13 VAL A 22 71.933 5.201 0.170 1.00 0.00 H new ATOM 0 HG21 VAL A 22 70.866 4.786 3.000 1.00 0.00 H new ATOM 0 HG22 VAL A 22 69.921 4.559 1.509 1.00 0.00 H new ATOM 0 HG23 VAL A 22 70.029 3.244 2.703 1.00 0.00 H new ATOM 386 N PRO A 23 72.456 2.338 -1.781 1.00 0.00 N ATOM 387 CA PRO A 23 73.586 2.083 -2.700 1.00 0.00 C ATOM 388 C PRO A 23 74.778 2.989 -2.362 1.00 0.00 C ATOM 389 O PRO A 23 74.623 4.104 -1.907 1.00 0.00 O ATOM 390 CB PRO A 23 73.032 2.414 -4.103 1.00 0.00 C ATOM 391 CG PRO A 23 71.496 2.533 -3.968 1.00 0.00 C ATOM 392 CD PRO A 23 71.190 2.700 -2.465 1.00 0.00 C ATOM 0 HA PRO A 23 73.949 1.058 -2.630 1.00 0.00 H new ATOM 0 HB2 PRO A 23 73.459 3.345 -4.476 1.00 0.00 H new ATOM 0 HB3 PRO A 23 73.297 1.633 -4.816 1.00 0.00 H new ATOM 0 HG2 PRO A 23 71.123 3.386 -4.535 1.00 0.00 H new ATOM 0 HG3 PRO A 23 71.003 1.646 -4.366 1.00 0.00 H new ATOM 0 HD2 PRO A 23 70.893 3.723 -2.233 1.00 0.00 H new ATOM 0 HD3 PRO A 23 70.372 2.051 -2.153 1.00 0.00 H new ATOM 400 N ARG A 24 75.966 2.505 -2.596 1.00 0.00 N ATOM 401 CA ARG A 24 77.186 3.312 -2.309 1.00 0.00 C ATOM 402 C ARG A 24 78.319 2.820 -3.216 1.00 0.00 C ATOM 403 O ARG A 24 78.415 1.644 -3.505 1.00 0.00 O ATOM 404 CB ARG A 24 77.574 3.131 -0.834 1.00 0.00 C ATOM 405 CG ARG A 24 78.503 4.272 -0.377 1.00 0.00 C ATOM 406 CD ARG A 24 77.669 5.454 0.125 1.00 0.00 C ATOM 407 NE ARG A 24 77.075 5.113 1.450 1.00 0.00 N ATOM 408 CZ ARG A 24 76.582 6.055 2.206 1.00 0.00 C ATOM 409 NH1 ARG A 24 76.604 7.294 1.799 1.00 0.00 N ATOM 410 NH2 ARG A 24 76.065 5.757 3.368 1.00 0.00 N ATOM 0 H ARG A 24 76.146 1.576 -2.977 1.00 0.00 H new ATOM 0 HA ARG A 24 76.999 4.369 -2.499 1.00 0.00 H new ATOM 0 HB2 ARG A 24 76.677 3.114 -0.215 1.00 0.00 H new ATOM 0 HB3 ARG A 24 78.073 2.171 -0.698 1.00 0.00 H new ATOM 0 HG2 ARG A 24 79.164 3.920 0.415 1.00 0.00 H new ATOM 0 HG3 ARG A 24 79.138 4.589 -1.204 1.00 0.00 H new ATOM 0 HD2 ARG A 24 78.293 6.343 0.212 1.00 0.00 H new ATOM 0 HD3 ARG A 24 76.880 5.687 -0.590 1.00 0.00 H new ATOM 0 HE ARG A 24 77.054 4.143 1.765 1.00 0.00 H new ATOM 0 HH11 ARG A 24 77.006 7.525 0.891 1.00 0.00 H new ATOM 0 HH12 ARG A 24 76.219 8.032 2.389 1.00 0.00 H new ATOM 0 HH21 ARG A 24 76.047 4.788 3.685 1.00 0.00 H new ATOM 0 HH22 ARG A 24 75.680 6.494 3.959 1.00 0.00 H new ATOM 424 N LEU A 25 79.183 3.698 -3.659 1.00 0.00 N ATOM 425 CA LEU A 25 80.320 3.273 -4.536 1.00 0.00 C ATOM 426 C LEU A 25 81.603 3.314 -3.701 1.00 0.00 C ATOM 427 O LEU A 25 81.776 4.180 -2.867 1.00 0.00 O ATOM 428 CB LEU A 25 80.425 4.229 -5.726 1.00 0.00 C ATOM 429 CG LEU A 25 79.179 4.105 -6.619 1.00 0.00 C ATOM 430 CD1 LEU A 25 79.076 5.337 -7.522 1.00 0.00 C ATOM 431 CD2 LEU A 25 79.264 2.852 -7.501 1.00 0.00 C ATOM 0 H LEU A 25 79.151 4.696 -3.451 1.00 0.00 H new ATOM 0 HA LEU A 25 80.161 2.264 -4.917 1.00 0.00 H new ATOM 0 HB2 LEU A 25 80.526 5.254 -5.370 1.00 0.00 H new ATOM 0 HB3 LEU A 25 81.320 4.003 -6.305 1.00 0.00 H new ATOM 0 HG LEU A 25 78.301 4.029 -5.977 1.00 0.00 H new ATOM 0 HD11 LEU A 25 78.193 5.251 -8.156 1.00 0.00 H new ATOM 0 HD12 LEU A 25 78.995 6.233 -6.907 1.00 0.00 H new ATOM 0 HD13 LEU A 25 79.966 5.405 -8.147 1.00 0.00 H new ATOM 0 HD21 LEU A 25 78.372 2.785 -8.124 1.00 0.00 H new ATOM 0 HD22 LEU A 25 80.147 2.914 -8.137 1.00 0.00 H new ATOM 0 HD23 LEU A 25 79.333 1.966 -6.869 1.00 0.00 H new ATOM 443 N LEU A 26 82.486 2.361 -3.891 1.00 0.00 N ATOM 444 CA LEU A 26 83.748 2.310 -3.080 1.00 0.00 C ATOM 445 C LEU A 26 84.972 2.198 -3.996 1.00 0.00 C ATOM 446 O LEU A 26 85.227 1.172 -4.595 1.00 0.00 O ATOM 447 CB LEU A 26 83.681 1.079 -2.168 1.00 0.00 C ATOM 448 CG LEU A 26 84.855 1.071 -1.173 1.00 0.00 C ATOM 449 CD1 LEU A 26 84.626 2.102 -0.055 1.00 0.00 C ATOM 450 CD2 LEU A 26 84.974 -0.326 -0.555 1.00 0.00 C ATOM 0 H LEU A 26 82.387 1.612 -4.576 1.00 0.00 H new ATOM 0 HA LEU A 26 83.841 3.223 -2.491 1.00 0.00 H new ATOM 0 HB2 LEU A 26 82.737 1.075 -1.623 1.00 0.00 H new ATOM 0 HB3 LEU A 26 83.704 0.172 -2.772 1.00 0.00 H new ATOM 0 HG LEU A 26 85.771 1.330 -1.704 1.00 0.00 H new ATOM 0 HD11 LEU A 26 85.467 2.080 0.638 1.00 0.00 H new ATOM 0 HD12 LEU A 26 84.540 3.098 -0.490 1.00 0.00 H new ATOM 0 HD13 LEU A 26 83.708 1.860 0.481 1.00 0.00 H new ATOM 0 HD21 LEU A 26 85.804 -0.342 0.152 1.00 0.00 H new ATOM 0 HD22 LEU A 26 84.049 -0.574 -0.034 1.00 0.00 H new ATOM 0 HD23 LEU A 26 85.154 -1.058 -1.342 1.00 0.00 H new ATOM 462 N GLY A 27 85.735 3.252 -4.089 1.00 0.00 N ATOM 463 CA GLY A 27 86.958 3.247 -4.943 1.00 0.00 C ATOM 464 C GLY A 27 88.148 2.690 -4.164 1.00 0.00 C ATOM 465 O GLY A 27 88.493 3.172 -3.104 1.00 0.00 O ATOM 0 H GLY A 27 85.560 4.131 -3.602 1.00 0.00 H new ATOM 0 HA2 GLY A 27 86.784 2.644 -5.835 1.00 0.00 H new ATOM 0 HA3 GLY A 27 87.178 4.260 -5.281 1.00 0.00 H new ATOM 469 N ILE A 28 88.790 1.680 -4.694 1.00 0.00 N ATOM 470 CA ILE A 28 89.976 1.088 -4.005 1.00 0.00 C ATOM 471 C ILE A 28 91.241 1.654 -4.652 1.00 0.00 C ATOM 472 O ILE A 28 91.548 1.352 -5.789 1.00 0.00 O ATOM 473 CB ILE A 28 89.964 -0.440 -4.170 1.00 0.00 C ATOM 474 CG1 ILE A 28 88.813 -1.045 -3.356 1.00 0.00 C ATOM 475 CG2 ILE A 28 91.290 -1.024 -3.671 1.00 0.00 C ATOM 476 CD1 ILE A 28 87.466 -0.523 -3.867 1.00 0.00 C ATOM 0 H ILE A 28 88.542 1.238 -5.579 1.00 0.00 H new ATOM 0 HA ILE A 28 89.949 1.332 -2.943 1.00 0.00 H new ATOM 0 HB ILE A 28 89.830 -0.679 -5.225 1.00 0.00 H new ATOM 0 HG12 ILE A 28 88.840 -2.132 -3.428 1.00 0.00 H new ATOM 0 HG13 ILE A 28 88.932 -0.793 -2.302 1.00 0.00 H new ATOM 0 HG21 ILE A 28 91.278 -2.107 -3.789 1.00 0.00 H new ATOM 0 HG22 ILE A 28 92.113 -0.605 -4.250 1.00 0.00 H new ATOM 0 HG23 ILE A 28 91.424 -0.776 -2.618 1.00 0.00 H new ATOM 0 HD11 ILE A 28 86.659 -0.961 -3.279 1.00 0.00 H new ATOM 0 HD12 ILE A 28 87.436 0.562 -3.771 1.00 0.00 H new ATOM 0 HD13 ILE A 28 87.343 -0.798 -4.914 1.00 0.00 H new ATOM 488 N THR A 29 91.983 2.465 -3.941 1.00 0.00 N ATOM 489 CA THR A 29 93.234 3.043 -4.519 1.00 0.00 C ATOM 490 C THR A 29 94.428 2.230 -4.017 1.00 0.00 C ATOM 491 O THR A 29 94.319 1.464 -3.081 1.00 0.00 O ATOM 492 CB THR A 29 93.370 4.515 -4.079 1.00 0.00 C ATOM 493 OG1 THR A 29 92.075 5.072 -3.904 1.00 0.00 O ATOM 494 CG2 THR A 29 94.122 5.314 -5.148 1.00 0.00 C ATOM 0 H THR A 29 91.776 2.752 -2.984 1.00 0.00 H new ATOM 0 HA THR A 29 93.199 3.004 -5.608 1.00 0.00 H new ATOM 0 HB THR A 29 93.925 4.559 -3.142 1.00 0.00 H new ATOM 0 HG1 THR A 29 91.719 4.805 -3.031 1.00 0.00 H new ATOM 0 HG21 THR A 29 94.213 6.352 -4.829 1.00 0.00 H new ATOM 0 HG22 THR A 29 95.116 4.889 -5.288 1.00 0.00 H new ATOM 0 HG23 THR A 29 93.573 5.270 -6.088 1.00 0.00 H new ATOM 502 N LYS A 30 95.563 2.385 -4.632 1.00 0.00 N ATOM 503 CA LYS A 30 96.754 1.617 -4.186 1.00 0.00 C ATOM 504 C LYS A 30 97.259 2.183 -2.862 1.00 0.00 C ATOM 505 O LYS A 30 98.021 1.550 -2.157 1.00 0.00 O ATOM 506 CB LYS A 30 97.856 1.730 -5.241 1.00 0.00 C ATOM 507 CG LYS A 30 98.313 3.189 -5.335 1.00 0.00 C ATOM 508 CD LYS A 30 99.148 3.409 -6.611 1.00 0.00 C ATOM 509 CE LYS A 30 98.228 3.747 -7.792 1.00 0.00 C ATOM 510 NZ LYS A 30 97.559 5.054 -7.540 1.00 0.00 N ATOM 0 H LYS A 30 95.718 3.009 -5.423 1.00 0.00 H new ATOM 0 HA LYS A 30 96.482 0.570 -4.053 1.00 0.00 H new ATOM 0 HB2 LYS A 30 98.697 1.089 -4.976 1.00 0.00 H new ATOM 0 HB3 LYS A 30 97.487 1.389 -6.208 1.00 0.00 H new ATOM 0 HG2 LYS A 30 97.445 3.849 -5.342 1.00 0.00 H new ATOM 0 HG3 LYS A 30 98.904 3.449 -4.457 1.00 0.00 H new ATOM 0 HD2 LYS A 30 99.862 4.218 -6.453 1.00 0.00 H new ATOM 0 HD3 LYS A 30 99.726 2.513 -6.835 1.00 0.00 H new ATOM 0 HE2 LYS A 30 98.805 3.794 -8.715 1.00 0.00 H new ATOM 0 HE3 LYS A 30 97.482 2.963 -7.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 97.399 5.542 -8.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 96.647 4.892 -7.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 98.164 5.642 -6.932 1.00 0.00 H new ATOM 524 N GLU A 31 96.846 3.378 -2.525 1.00 0.00 N ATOM 525 CA GLU A 31 97.299 4.016 -1.250 1.00 0.00 C ATOM 526 C GLU A 31 96.125 4.166 -0.280 1.00 0.00 C ATOM 527 O GLU A 31 96.316 4.457 0.884 1.00 0.00 O ATOM 528 CB GLU A 31 97.867 5.408 -1.559 1.00 0.00 C ATOM 529 CG GLU A 31 99.144 5.300 -2.422 1.00 0.00 C ATOM 530 CD GLU A 31 100.187 6.332 -1.970 1.00 0.00 C ATOM 531 OE1 GLU A 31 100.426 6.419 -0.776 1.00 0.00 O ATOM 532 OE2 GLU A 31 100.728 7.014 -2.825 1.00 0.00 O ATOM 0 H GLU A 31 96.208 3.945 -3.084 1.00 0.00 H new ATOM 0 HA GLU A 31 98.062 3.386 -0.793 1.00 0.00 H new ATOM 0 HB2 GLU A 31 97.118 6.003 -2.082 1.00 0.00 H new ATOM 0 HB3 GLU A 31 98.094 5.928 -0.628 1.00 0.00 H new ATOM 0 HG2 GLU A 31 99.560 4.295 -2.343 1.00 0.00 H new ATOM 0 HG3 GLU A 31 98.896 5.461 -3.471 1.00 0.00 H new ATOM 539 N CYS A 32 94.911 3.991 -0.732 1.00 0.00 N ATOM 540 CA CYS A 32 93.762 4.155 0.207 1.00 0.00 C ATOM 541 C CYS A 32 92.441 3.757 -0.466 1.00 0.00 C ATOM 542 O CYS A 32 92.349 3.636 -1.671 1.00 0.00 O ATOM 543 CB CYS A 32 93.689 5.633 0.634 1.00 0.00 C ATOM 544 SG CYS A 32 94.289 6.676 -0.717 1.00 0.00 S ATOM 0 H CYS A 32 94.667 3.746 -1.692 1.00 0.00 H new ATOM 0 HA CYS A 32 93.913 3.509 1.072 1.00 0.00 H new ATOM 0 HB2 CYS A 32 92.663 5.900 0.887 1.00 0.00 H new ATOM 0 HB3 CYS A 32 94.290 5.795 1.529 1.00 0.00 H new ATOM 0 HG CYS A 32 94.227 7.925 -0.361 1.00 0.00 H new ATOM 550 N VAL A 33 91.409 3.594 0.324 1.00 0.00 N ATOM 551 CA VAL A 33 90.061 3.249 -0.224 1.00 0.00 C ATOM 552 C VAL A 33 89.202 4.505 -0.106 1.00 0.00 C ATOM 553 O VAL A 33 89.156 5.114 0.943 1.00 0.00 O ATOM 554 CB VAL A 33 89.439 2.124 0.609 1.00 0.00 C ATOM 555 CG1 VAL A 33 88.117 1.682 -0.023 1.00 0.00 C ATOM 556 CG2 VAL A 33 90.400 0.935 0.662 1.00 0.00 C ATOM 0 H VAL A 33 91.444 3.687 1.339 1.00 0.00 H new ATOM 0 HA VAL A 33 90.132 2.914 -1.259 1.00 0.00 H new ATOM 0 HB VAL A 33 89.252 2.487 1.619 1.00 0.00 H new ATOM 0 HG11 VAL A 33 87.678 0.882 0.573 1.00 0.00 H new ATOM 0 HG12 VAL A 33 87.430 2.527 -0.057 1.00 0.00 H new ATOM 0 HG13 VAL A 33 88.300 1.322 -1.035 1.00 0.00 H new ATOM 0 HG21 VAL A 33 89.957 0.135 1.255 1.00 0.00 H new ATOM 0 HG22 VAL A 33 90.589 0.575 -0.349 1.00 0.00 H new ATOM 0 HG23 VAL A 33 91.340 1.247 1.118 1.00 0.00 H new ATOM 566 N MET A 34 88.537 4.924 -1.160 1.00 0.00 N ATOM 567 CA MET A 34 87.713 6.176 -1.067 1.00 0.00 C ATOM 568 C MET A 34 86.235 5.850 -0.943 1.00 0.00 C ATOM 569 O MET A 34 85.728 4.943 -1.573 1.00 0.00 O ATOM 570 CB MET A 34 87.934 7.041 -2.306 1.00 0.00 C ATOM 571 CG MET A 34 87.742 6.204 -3.567 1.00 0.00 C ATOM 572 SD MET A 34 87.823 7.275 -5.027 1.00 0.00 S ATOM 573 CE MET A 34 89.504 7.901 -4.772 1.00 0.00 C ATOM 0 H MET A 34 88.528 4.461 -2.069 1.00 0.00 H new ATOM 0 HA MET A 34 88.028 6.719 -0.176 1.00 0.00 H new ATOM 0 HB2 MET A 34 87.235 7.878 -2.305 1.00 0.00 H new ATOM 0 HB3 MET A 34 88.938 7.464 -2.290 1.00 0.00 H new ATOM 0 HG2 MET A 34 88.512 5.434 -3.625 1.00 0.00 H new ATOM 0 HG3 MET A 34 86.781 5.692 -3.532 1.00 0.00 H new ATOM 0 HE1 MET A 34 89.894 8.291 -5.712 1.00 0.00 H new ATOM 0 HE2 MET A 34 89.487 8.698 -4.028 1.00 0.00 H new ATOM 0 HE3 MET A 34 90.144 7.092 -4.421 1.00 0.00 H new ATOM 583 N ARG A 35 85.528 6.613 -0.150 1.00 0.00 N ATOM 584 CA ARG A 35 84.064 6.371 -0.007 1.00 0.00 C ATOM 585 C ARG A 35 83.370 7.254 -1.029 1.00 0.00 C ATOM 586 O ARG A 35 83.607 8.443 -1.080 1.00 0.00 O ATOM 587 CB ARG A 35 83.588 6.789 1.388 1.00 0.00 C ATOM 588 CG ARG A 35 84.040 5.772 2.454 1.00 0.00 C ATOM 589 CD ARG A 35 83.084 5.824 3.663 1.00 0.00 C ATOM 590 NE ARG A 35 82.480 7.184 3.773 1.00 0.00 N ATOM 591 CZ ARG A 35 81.423 7.370 4.514 1.00 0.00 C ATOM 592 NH1 ARG A 35 80.897 6.367 5.163 1.00 0.00 N ATOM 593 NH2 ARG A 35 80.891 8.558 4.608 1.00 0.00 N ATOM 0 H ARG A 35 85.899 7.387 0.401 1.00 0.00 H new ATOM 0 HA ARG A 35 83.841 5.314 -0.154 1.00 0.00 H new ATOM 0 HB2 ARG A 35 83.983 7.775 1.631 1.00 0.00 H new ATOM 0 HB3 ARG A 35 82.501 6.871 1.396 1.00 0.00 H new ATOM 0 HG2 ARG A 35 84.051 4.768 2.030 1.00 0.00 H new ATOM 0 HG3 ARG A 35 85.058 5.994 2.774 1.00 0.00 H new ATOM 0 HD2 ARG A 35 82.299 5.076 3.550 1.00 0.00 H new ATOM 0 HD3 ARG A 35 83.626 5.582 4.577 1.00 0.00 H new ATOM 0 HE ARG A 35 82.894 7.968 3.269 1.00 0.00 H new ATOM 0 HH11 ARG A 35 81.313 5.438 5.090 1.00 0.00 H new ATOM 0 HH12 ARG A 35 80.070 6.512 5.743 1.00 0.00 H new ATOM 0 HH21 ARG A 35 81.302 9.342 4.102 1.00 0.00 H new ATOM 0 HH22 ARG A 35 80.064 8.702 5.188 1.00 0.00 H new ATOM 607 N VAL A 36 82.531 6.689 -1.860 1.00 0.00 N ATOM 608 CA VAL A 36 81.842 7.506 -2.900 1.00 0.00 C ATOM 609 C VAL A 36 80.343 7.224 -2.877 1.00 0.00 C ATOM 610 O VAL A 36 79.904 6.103 -3.038 1.00 0.00 O ATOM 611 CB VAL A 36 82.418 7.157 -4.274 1.00 0.00 C ATOM 612 CG1 VAL A 36 81.652 7.909 -5.369 1.00 0.00 C ATOM 613 CG2 VAL A 36 83.892 7.563 -4.329 1.00 0.00 C ATOM 0 H VAL A 36 82.294 5.697 -1.862 1.00 0.00 H new ATOM 0 HA VAL A 36 82.001 8.565 -2.696 1.00 0.00 H new ATOM 0 HB VAL A 36 82.323 6.083 -4.435 1.00 0.00 H new ATOM 0 HG11 VAL A 36 82.068 7.655 -6.344 1.00 0.00 H new ATOM 0 HG12 VAL A 36 80.600 7.625 -5.338 1.00 0.00 H new ATOM 0 HG13 VAL A 36 81.742 8.983 -5.204 1.00 0.00 H new ATOM 0 HG21 VAL A 36 84.302 7.314 -5.308 1.00 0.00 H new ATOM 0 HG22 VAL A 36 83.980 8.636 -4.161 1.00 0.00 H new ATOM 0 HG23 VAL A 36 84.446 7.028 -3.557 1.00 0.00 H new ATOM 623 N ASP A 37 79.555 8.245 -2.691 1.00 0.00 N ATOM 624 CA ASP A 37 78.082 8.061 -2.669 1.00 0.00 C ATOM 625 C ASP A 37 77.620 7.662 -4.065 1.00 0.00 C ATOM 626 O ASP A 37 78.195 8.054 -5.056 1.00 0.00 O ATOM 627 CB ASP A 37 77.404 9.377 -2.253 1.00 0.00 C ATOM 628 CG ASP A 37 77.372 9.495 -0.726 1.00 0.00 C ATOM 629 OD1 ASP A 37 77.897 8.613 -0.069 1.00 0.00 O ATOM 630 OD2 ASP A 37 76.822 10.470 -0.241 1.00 0.00 O ATOM 0 H ASP A 37 79.872 9.204 -2.553 1.00 0.00 H new ATOM 0 HA ASP A 37 77.813 7.284 -1.954 1.00 0.00 H new ATOM 0 HB2 ASP A 37 77.943 10.223 -2.679 1.00 0.00 H new ATOM 0 HB3 ASP A 37 76.389 9.413 -2.649 1.00 0.00 H new ATOM 635 N GLU A 38 76.581 6.892 -4.147 1.00 0.00 N ATOM 636 CA GLU A 38 76.063 6.467 -5.472 1.00 0.00 C ATOM 637 C GLU A 38 75.064 7.518 -5.920 1.00 0.00 C ATOM 638 O GLU A 38 74.718 7.642 -7.078 1.00 0.00 O ATOM 639 CB GLU A 38 75.375 5.116 -5.296 1.00 0.00 C ATOM 640 CG GLU A 38 75.291 4.371 -6.626 1.00 0.00 C ATOM 641 CD GLU A 38 74.306 5.082 -7.555 1.00 0.00 C ATOM 642 OE1 GLU A 38 73.256 5.482 -7.079 1.00 0.00 O ATOM 643 OE2 GLU A 38 74.620 5.216 -8.726 1.00 0.00 O ATOM 0 H GLU A 38 76.061 6.534 -3.346 1.00 0.00 H new ATOM 0 HA GLU A 38 76.855 6.369 -6.214 1.00 0.00 H new ATOM 0 HB2 GLU A 38 75.925 4.515 -4.572 1.00 0.00 H new ATOM 0 HB3 GLU A 38 74.373 5.263 -4.893 1.00 0.00 H new ATOM 0 HG2 GLU A 38 76.276 4.325 -7.091 1.00 0.00 H new ATOM 0 HG3 GLU A 38 74.970 3.343 -6.458 1.00 0.00 H new ATOM 650 N LYS A 39 74.611 8.269 -4.973 1.00 0.00 N ATOM 651 CA LYS A 39 73.633 9.340 -5.239 1.00 0.00 C ATOM 652 C LYS A 39 74.349 10.547 -5.839 1.00 0.00 C ATOM 653 O LYS A 39 73.964 11.067 -6.868 1.00 0.00 O ATOM 654 CB LYS A 39 73.003 9.732 -3.909 1.00 0.00 C ATOM 655 CG LYS A 39 71.903 10.768 -4.136 1.00 0.00 C ATOM 656 CD LYS A 39 71.340 11.213 -2.786 1.00 0.00 C ATOM 657 CE LYS A 39 70.115 12.102 -3.010 1.00 0.00 C ATOM 658 NZ LYS A 39 69.790 12.828 -1.751 1.00 0.00 N ATOM 0 H LYS A 39 74.887 8.182 -3.995 1.00 0.00 H new ATOM 0 HA LYS A 39 72.871 8.999 -5.940 1.00 0.00 H new ATOM 0 HB2 LYS A 39 72.588 8.851 -3.420 1.00 0.00 H new ATOM 0 HB3 LYS A 39 73.764 10.138 -3.242 1.00 0.00 H new ATOM 0 HG2 LYS A 39 72.302 11.626 -4.677 1.00 0.00 H new ATOM 0 HG3 LYS A 39 71.110 10.344 -4.752 1.00 0.00 H new ATOM 0 HD2 LYS A 39 71.066 10.343 -2.190 1.00 0.00 H new ATOM 0 HD3 LYS A 39 72.100 11.757 -2.225 1.00 0.00 H new ATOM 0 HE2 LYS A 39 70.311 12.814 -3.812 1.00 0.00 H new ATOM 0 HE3 LYS A 39 69.265 11.496 -3.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 68.957 13.432 -1.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 69.586 12.141 -0.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 70.599 13.418 -1.472 1.00 0.00 H new ATOM 672 N THR A 40 75.386 11.002 -5.190 1.00 0.00 N ATOM 673 CA THR A 40 76.141 12.187 -5.695 1.00 0.00 C ATOM 674 C THR A 40 77.386 11.730 -6.459 1.00 0.00 C ATOM 675 O THR A 40 78.083 12.533 -7.047 1.00 0.00 O ATOM 676 CB THR A 40 76.566 13.057 -4.508 1.00 0.00 C ATOM 677 OG1 THR A 40 77.079 12.227 -3.477 1.00 0.00 O ATOM 678 CG2 THR A 40 75.357 13.833 -3.985 1.00 0.00 C ATOM 0 H THR A 40 75.746 10.601 -4.324 1.00 0.00 H new ATOM 0 HA THR A 40 75.501 12.760 -6.366 1.00 0.00 H new ATOM 0 HB THR A 40 77.336 13.759 -4.828 1.00 0.00 H new ATOM 0 HG1 THR A 40 77.353 12.781 -2.717 1.00 0.00 H new ATOM 0 HG21 THR A 40 75.660 14.452 -3.140 1.00 0.00 H new ATOM 0 HG22 THR A 40 74.962 14.469 -4.778 1.00 0.00 H new ATOM 0 HG23 THR A 40 74.586 13.132 -3.664 1.00 0.00 H new ATOM 686 N LYS A 41 77.679 10.456 -6.464 1.00 0.00 N ATOM 687 CA LYS A 41 78.884 9.990 -7.206 1.00 0.00 C ATOM 688 C LYS A 41 80.098 10.817 -6.770 1.00 0.00 C ATOM 689 O LYS A 41 81.088 10.895 -7.470 1.00 0.00 O ATOM 690 CB LYS A 41 78.654 10.174 -8.714 1.00 0.00 C ATOM 691 CG LYS A 41 77.360 9.457 -9.150 1.00 0.00 C ATOM 692 CD LYS A 41 77.655 7.984 -9.462 1.00 0.00 C ATOM 693 CE LYS A 41 78.503 7.853 -10.744 1.00 0.00 C ATOM 694 NZ LYS A 41 78.101 6.616 -11.470 1.00 0.00 N ATOM 0 H LYS A 41 77.143 9.727 -5.993 1.00 0.00 H new ATOM 0 HA LYS A 41 79.064 8.937 -6.991 1.00 0.00 H new ATOM 0 HB2 LYS A 41 78.587 11.236 -8.952 1.00 0.00 H new ATOM 0 HB3 LYS A 41 79.503 9.776 -9.269 1.00 0.00 H new ATOM 0 HG2 LYS A 41 76.612 9.527 -8.360 1.00 0.00 H new ATOM 0 HG3 LYS A 41 76.942 9.947 -10.029 1.00 0.00 H new ATOM 0 HD2 LYS A 41 78.183 7.529 -8.624 1.00 0.00 H new ATOM 0 HD3 LYS A 41 76.719 7.439 -9.583 1.00 0.00 H new ATOM 0 HE2 LYS A 41 78.359 8.726 -11.381 1.00 0.00 H new ATOM 0 HE3 LYS A 41 79.563 7.813 -10.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 78.669 6.522 -12.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 78.259 5.789 -10.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 77.094 6.673 -11.722 1.00 0.00 H new ATOM 708 N GLU A 42 80.025 11.435 -5.614 1.00 0.00 N ATOM 709 CA GLU A 42 81.172 12.266 -5.116 1.00 0.00 C ATOM 710 C GLU A 42 81.906 11.507 -4.011 1.00 0.00 C ATOM 711 O GLU A 42 81.384 10.578 -3.443 1.00 0.00 O ATOM 712 CB GLU A 42 80.633 13.585 -4.546 1.00 0.00 C ATOM 713 CG GLU A 42 81.732 14.647 -4.528 1.00 0.00 C ATOM 714 CD GLU A 42 81.120 16.008 -4.192 1.00 0.00 C ATOM 715 OE1 GLU A 42 80.069 16.025 -3.573 1.00 0.00 O ATOM 716 OE2 GLU A 42 81.711 17.009 -4.560 1.00 0.00 O ATOM 0 H GLU A 42 79.218 11.400 -4.991 1.00 0.00 H new ATOM 0 HA GLU A 42 81.857 12.472 -5.939 1.00 0.00 H new ATOM 0 HB2 GLU A 42 79.793 13.932 -5.148 1.00 0.00 H new ATOM 0 HB3 GLU A 42 80.257 13.425 -3.536 1.00 0.00 H new ATOM 0 HG2 GLU A 42 82.492 14.386 -3.792 1.00 0.00 H new ATOM 0 HG3 GLU A 42 82.228 14.689 -5.498 1.00 0.00 H new ATOM 723 N VAL A 43 83.104 11.916 -3.695 1.00 0.00 N ATOM 724 CA VAL A 43 83.879 11.228 -2.614 1.00 0.00 C ATOM 725 C VAL A 43 83.425 11.761 -1.253 1.00 0.00 C ATOM 726 O VAL A 43 83.313 12.955 -1.052 1.00 0.00 O ATOM 727 CB VAL A 43 85.383 11.490 -2.811 1.00 0.00 C ATOM 728 CG1 VAL A 43 86.160 11.113 -1.543 1.00 0.00 C ATOM 729 CG2 VAL A 43 85.897 10.643 -3.976 1.00 0.00 C ATOM 0 H VAL A 43 83.584 12.699 -4.138 1.00 0.00 H new ATOM 0 HA VAL A 43 83.700 10.154 -2.657 1.00 0.00 H new ATOM 0 HB VAL A 43 85.530 12.549 -3.022 1.00 0.00 H new ATOM 0 HG11 VAL A 43 87.222 11.304 -1.697 1.00 0.00 H new ATOM 0 HG12 VAL A 43 85.802 11.711 -0.705 1.00 0.00 H new ATOM 0 HG13 VAL A 43 86.009 10.056 -1.325 1.00 0.00 H new ATOM 0 HG21 VAL A 43 86.962 10.827 -4.117 1.00 0.00 H new ATOM 0 HG22 VAL A 43 85.737 9.587 -3.757 1.00 0.00 H new ATOM 0 HG23 VAL A 43 85.359 10.910 -4.885 1.00 0.00 H new ATOM 739 N ILE A 44 83.158 10.879 -0.318 1.00 0.00 N ATOM 740 CA ILE A 44 82.703 11.316 1.039 1.00 0.00 C ATOM 741 C ILE A 44 83.797 11.045 2.074 1.00 0.00 C ATOM 742 O ILE A 44 83.886 11.724 3.078 1.00 0.00 O ATOM 743 CB ILE A 44 81.447 10.536 1.426 1.00 0.00 C ATOM 744 CG1 ILE A 44 80.413 10.618 0.297 1.00 0.00 C ATOM 745 CG2 ILE A 44 80.856 11.127 2.705 1.00 0.00 C ATOM 746 CD1 ILE A 44 80.165 12.078 -0.100 1.00 0.00 C ATOM 0 H ILE A 44 83.237 9.869 -0.439 1.00 0.00 H new ATOM 0 HA ILE A 44 82.488 12.384 1.014 1.00 0.00 H new ATOM 0 HB ILE A 44 81.710 9.492 1.594 1.00 0.00 H new ATOM 0 HG12 ILE A 44 80.765 10.055 -0.567 1.00 0.00 H new ATOM 0 HG13 ILE A 44 79.478 10.159 0.618 1.00 0.00 H new ATOM 0 HG21 ILE A 44 79.960 10.572 2.982 1.00 0.00 H new ATOM 0 HG22 ILE A 44 81.588 11.059 3.509 1.00 0.00 H new ATOM 0 HG23 ILE A 44 80.597 12.172 2.537 1.00 0.00 H new ATOM 0 HD11 ILE A 44 79.428 12.117 -0.903 1.00 0.00 H new ATOM 0 HD12 ILE A 44 79.792 12.631 0.762 1.00 0.00 H new ATOM 0 HD13 ILE A 44 81.098 12.526 -0.442 1.00 0.00 H new ATOM 758 N GLN A 45 84.626 10.060 1.856 1.00 0.00 N ATOM 759 CA GLN A 45 85.694 9.774 2.860 1.00 0.00 C ATOM 760 C GLN A 45 86.787 8.890 2.256 1.00 0.00 C ATOM 761 O GLN A 45 86.627 8.296 1.208 1.00 0.00 O ATOM 762 CB GLN A 45 85.087 9.072 4.079 1.00 0.00 C ATOM 763 CG GLN A 45 86.169 8.855 5.146 1.00 0.00 C ATOM 764 CD GLN A 45 85.511 8.630 6.507 1.00 0.00 C ATOM 765 OE1 GLN A 45 84.322 8.393 6.588 1.00 0.00 O ATOM 766 NE2 GLN A 45 86.238 8.697 7.586 1.00 0.00 N ATOM 0 H GLN A 45 84.613 9.449 1.040 1.00 0.00 H new ATOM 0 HA GLN A 45 86.139 10.721 3.164 1.00 0.00 H new ATOM 0 HB2 GLN A 45 84.275 9.672 4.489 1.00 0.00 H new ATOM 0 HB3 GLN A 45 84.658 8.115 3.783 1.00 0.00 H new ATOM 0 HG2 GLN A 45 86.786 7.996 4.883 1.00 0.00 H new ATOM 0 HG3 GLN A 45 86.830 9.721 5.189 1.00 0.00 H new ATOM 0 HE21 GLN A 45 87.236 8.896 7.517 1.00 0.00 H new ATOM 0 HE22 GLN A 45 85.809 8.550 8.500 1.00 0.00 H new ATOM 775 N GLU A 46 87.903 8.814 2.929 1.00 0.00 N ATOM 776 CA GLU A 46 89.052 7.990 2.451 1.00 0.00 C ATOM 777 C GLU A 46 89.723 7.297 3.643 1.00 0.00 C ATOM 778 O GLU A 46 89.591 7.716 4.776 1.00 0.00 O ATOM 779 CB GLU A 46 90.067 8.899 1.733 1.00 0.00 C ATOM 780 CG GLU A 46 89.672 9.065 0.262 1.00 0.00 C ATOM 781 CD GLU A 46 90.491 10.196 -0.365 1.00 0.00 C ATOM 782 OE1 GLU A 46 90.905 11.079 0.369 1.00 0.00 O ATOM 783 OE2 GLU A 46 90.691 10.160 -1.568 1.00 0.00 O ATOM 0 H GLU A 46 88.071 9.299 3.810 1.00 0.00 H new ATOM 0 HA GLU A 46 88.693 7.231 1.756 1.00 0.00 H new ATOM 0 HB2 GLU A 46 90.104 9.873 2.220 1.00 0.00 H new ATOM 0 HB3 GLU A 46 91.066 8.469 1.804 1.00 0.00 H new ATOM 0 HG2 GLU A 46 89.845 8.134 -0.279 1.00 0.00 H new ATOM 0 HG3 GLU A 46 88.608 9.286 0.184 1.00 0.00 H new ATOM 790 N TRP A 47 90.443 6.232 3.385 1.00 0.00 N ATOM 791 CA TRP A 47 91.132 5.490 4.484 1.00 0.00 C ATOM 792 C TRP A 47 92.523 5.066 4.021 1.00 0.00 C ATOM 793 O TRP A 47 92.726 4.721 2.877 1.00 0.00 O ATOM 794 CB TRP A 47 90.345 4.228 4.832 1.00 0.00 C ATOM 795 CG TRP A 47 89.041 4.571 5.487 1.00 0.00 C ATOM 796 CD1 TRP A 47 88.874 5.433 6.522 1.00 0.00 C ATOM 797 CD2 TRP A 47 87.718 4.053 5.173 1.00 0.00 C ATOM 798 NE1 TRP A 47 87.531 5.478 6.849 1.00 0.00 N ATOM 799 CE2 TRP A 47 86.780 4.645 6.049 1.00 0.00 C ATOM 800 CE3 TRP A 47 87.244 3.136 4.218 1.00 0.00 C ATOM 801 CZ2 TRP A 47 85.423 4.340 5.983 1.00 0.00 C ATOM 802 CZ3 TRP A 47 85.877 2.824 4.148 1.00 0.00 C ATOM 803 CH2 TRP A 47 84.968 3.425 5.029 1.00 0.00 C ATOM 0 H TRP A 47 90.583 5.843 2.452 1.00 0.00 H new ATOM 0 HA TRP A 47 91.202 6.142 5.355 1.00 0.00 H new ATOM 0 HB2 TRP A 47 90.160 3.649 3.927 1.00 0.00 H new ATOM 0 HB3 TRP A 47 90.936 3.599 5.498 1.00 0.00 H new ATOM 0 HD1 TRP A 47 89.660 5.991 7.009 1.00 0.00 H new ATOM 0 HE1 TRP A 47 87.143 6.058 7.593 1.00 0.00 H new ATOM 0 HE3 TRP A 47 87.936 2.668 3.534 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 84.727 4.807 6.664 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 85.524 2.117 3.411 1.00 0.00 H new ATOM 0 HH2 TRP A 47 83.917 3.182 4.971 1.00 0.00 H new ATOM 814 N SER A 48 93.477 5.058 4.907 1.00 0.00 N ATOM 815 CA SER A 48 94.848 4.629 4.516 1.00 0.00 C ATOM 816 C SER A 48 94.904 3.100 4.500 1.00 0.00 C ATOM 817 O SER A 48 94.485 2.446 5.434 1.00 0.00 O ATOM 818 CB SER A 48 95.863 5.171 5.521 1.00 0.00 C ATOM 819 OG SER A 48 95.562 6.531 5.806 1.00 0.00 O ATOM 0 H SER A 48 93.368 5.329 5.884 1.00 0.00 H new ATOM 0 HA SER A 48 95.087 5.017 3.526 1.00 0.00 H new ATOM 0 HB2 SER A 48 95.836 4.581 6.437 1.00 0.00 H new ATOM 0 HB3 SER A 48 96.872 5.087 5.118 1.00 0.00 H new ATOM 0 HG SER A 48 96.211 6.881 6.452 1.00 0.00 H new ATOM 825 N LEU A 49 95.412 2.523 3.446 1.00 0.00 N ATOM 826 CA LEU A 49 95.484 1.038 3.377 1.00 0.00 C ATOM 827 C LEU A 49 96.207 0.519 4.623 1.00 0.00 C ATOM 828 O LEU A 49 95.941 -0.565 5.103 1.00 0.00 O ATOM 829 CB LEU A 49 96.255 0.627 2.104 1.00 0.00 C ATOM 830 CG LEU A 49 95.274 0.385 0.937 1.00 0.00 C ATOM 831 CD1 LEU A 49 96.000 0.574 -0.397 1.00 0.00 C ATOM 832 CD2 LEU A 49 94.724 -1.045 1.005 1.00 0.00 C ATOM 0 H LEU A 49 95.779 3.015 2.632 1.00 0.00 H new ATOM 0 HA LEU A 49 94.482 0.612 3.338 1.00 0.00 H new ATOM 0 HB2 LEU A 49 96.966 1.407 1.834 1.00 0.00 H new ATOM 0 HB3 LEU A 49 96.832 -0.278 2.296 1.00 0.00 H new ATOM 0 HG LEU A 49 94.453 1.098 1.015 1.00 0.00 H new ATOM 0 HD11 LEU A 49 95.304 0.402 -1.218 1.00 0.00 H new ATOM 0 HD12 LEU A 49 96.390 1.590 -0.458 1.00 0.00 H new ATOM 0 HD13 LEU A 49 96.825 -0.136 -0.466 1.00 0.00 H new ATOM 0 HD21 LEU A 49 94.032 -1.209 0.178 1.00 0.00 H new ATOM 0 HD22 LEU A 49 95.548 -1.755 0.935 1.00 0.00 H new ATOM 0 HD23 LEU A 49 94.200 -1.189 1.950 1.00 0.00 H new ATOM 844 N THR A 50 97.119 1.287 5.147 1.00 0.00 N ATOM 845 CA THR A 50 97.860 0.844 6.357 1.00 0.00 C ATOM 846 C THR A 50 96.940 0.929 7.575 1.00 0.00 C ATOM 847 O THR A 50 97.303 0.544 8.669 1.00 0.00 O ATOM 848 CB THR A 50 99.078 1.746 6.568 1.00 0.00 C ATOM 849 OG1 THR A 50 98.656 3.100 6.636 1.00 0.00 O ATOM 850 CG2 THR A 50 100.052 1.570 5.402 1.00 0.00 C ATOM 0 H THR A 50 97.383 2.204 4.788 1.00 0.00 H new ATOM 0 HA THR A 50 98.192 -0.186 6.225 1.00 0.00 H new ATOM 0 HB THR A 50 99.576 1.474 7.499 1.00 0.00 H new ATOM 0 HG1 THR A 50 99.435 3.679 6.773 1.00 0.00 H new ATOM 0 HG21 THR A 50 100.920 2.213 5.552 1.00 0.00 H new ATOM 0 HG22 THR A 50 100.375 0.530 5.352 1.00 0.00 H new ATOM 0 HG23 THR A 50 99.557 1.842 4.470 1.00 0.00 H new ATOM 858 N ASN A 51 95.747 1.429 7.393 1.00 0.00 N ATOM 859 CA ASN A 51 94.795 1.540 8.539 1.00 0.00 C ATOM 860 C ASN A 51 93.975 0.255 8.647 1.00 0.00 C ATOM 861 O ASN A 51 93.661 -0.204 9.726 1.00 0.00 O ATOM 862 CB ASN A 51 93.848 2.719 8.305 1.00 0.00 C ATOM 863 CG ASN A 51 93.088 3.027 9.595 1.00 0.00 C ATOM 864 OD1 ASN A 51 92.920 2.166 10.436 1.00 0.00 O ATOM 865 ND2 ASN A 51 92.620 4.230 9.790 1.00 0.00 N ATOM 0 H ASN A 51 95.389 1.766 6.499 1.00 0.00 H new ATOM 0 HA ASN A 51 95.357 1.697 9.460 1.00 0.00 H new ATOM 0 HB2 ASN A 51 94.413 3.595 7.985 1.00 0.00 H new ATOM 0 HB3 ASN A 51 93.147 2.482 7.505 1.00 0.00 H new ATOM 0 HD21 ASN A 51 92.113 4.447 10.648 1.00 0.00 H new ATOM 0 HD22 ASN A 51 92.761 4.953 9.084 1.00 0.00 H new ATOM 872 N ILE A 52 93.620 -0.324 7.534 1.00 0.00 N ATOM 873 CA ILE A 52 92.811 -1.573 7.572 1.00 0.00 C ATOM 874 C ILE A 52 93.577 -2.667 8.320 1.00 0.00 C ATOM 875 O ILE A 52 94.569 -3.183 7.843 1.00 0.00 O ATOM 876 CB ILE A 52 92.524 -2.040 6.144 1.00 0.00 C ATOM 877 CG1 ILE A 52 91.699 -0.977 5.415 1.00 0.00 C ATOM 878 CG2 ILE A 52 91.740 -3.352 6.188 1.00 0.00 C ATOM 879 CD1 ILE A 52 91.626 -1.317 3.924 1.00 0.00 C ATOM 0 H ILE A 52 93.855 0.014 6.601 1.00 0.00 H new ATOM 0 HA ILE A 52 91.872 -1.374 8.088 1.00 0.00 H new ATOM 0 HB ILE A 52 93.464 -2.194 5.615 1.00 0.00 H new ATOM 0 HG12 ILE A 52 90.695 -0.929 5.837 1.00 0.00 H new ATOM 0 HG13 ILE A 52 92.150 0.006 5.553 1.00 0.00 H new ATOM 0 HG21 ILE A 52 91.534 -3.687 5.171 1.00 0.00 H new ATOM 0 HG22 ILE A 52 92.327 -4.109 6.708 1.00 0.00 H new ATOM 0 HG23 ILE A 52 90.799 -3.196 6.716 1.00 0.00 H new ATOM 0 HD11 ILE A 52 91.038 -0.559 3.406 1.00 0.00 H new ATOM 0 HD12 ILE A 52 92.633 -1.343 3.507 1.00 0.00 H new ATOM 0 HD13 ILE A 52 91.155 -2.292 3.796 1.00 0.00 H new ATOM 891 N LYS A 53 93.118 -3.031 9.486 1.00 0.00 N ATOM 892 CA LYS A 53 93.808 -4.097 10.263 1.00 0.00 C ATOM 893 C LYS A 53 93.424 -5.463 9.687 1.00 0.00 C ATOM 894 O LYS A 53 94.262 -6.314 9.467 1.00 0.00 O ATOM 895 CB LYS A 53 93.375 -4.016 11.730 1.00 0.00 C ATOM 896 CG LYS A 53 93.930 -5.217 12.496 1.00 0.00 C ATOM 897 CD LYS A 53 93.809 -4.968 14.002 1.00 0.00 C ATOM 898 CE LYS A 53 94.029 -6.282 14.755 1.00 0.00 C ATOM 899 NZ LYS A 53 92.804 -7.125 14.648 1.00 0.00 N ATOM 0 H LYS A 53 92.292 -2.634 9.935 1.00 0.00 H new ATOM 0 HA LYS A 53 94.888 -3.964 10.198 1.00 0.00 H new ATOM 0 HB2 LYS A 53 93.736 -3.089 12.176 1.00 0.00 H new ATOM 0 HB3 LYS A 53 92.287 -4.000 11.798 1.00 0.00 H new ATOM 0 HG2 LYS A 53 93.384 -6.120 12.222 1.00 0.00 H new ATOM 0 HG3 LYS A 53 94.973 -5.382 12.227 1.00 0.00 H new ATOM 0 HD2 LYS A 53 94.543 -4.227 14.319 1.00 0.00 H new ATOM 0 HD3 LYS A 53 92.825 -4.562 14.237 1.00 0.00 H new ATOM 0 HE2 LYS A 53 94.886 -6.812 14.340 1.00 0.00 H new ATOM 0 HE3 LYS A 53 94.255 -6.080 15.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 92.401 -7.273 15.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 92.105 -6.647 14.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 93.051 -8.044 14.229 1.00 0.00 H new ATOM 913 N ARG A 54 92.158 -5.673 9.434 1.00 0.00 N ATOM 914 CA ARG A 54 91.711 -6.978 8.864 1.00 0.00 C ATOM 915 C ARG A 54 90.415 -6.761 8.077 1.00 0.00 C ATOM 916 O ARG A 54 89.888 -5.669 8.011 1.00 0.00 O ATOM 917 CB ARG A 54 91.479 -8.000 10.010 1.00 0.00 C ATOM 918 CG ARG A 54 90.009 -7.984 10.480 1.00 0.00 C ATOM 919 CD ARG A 54 89.862 -8.694 11.830 1.00 0.00 C ATOM 920 NE ARG A 54 90.158 -7.730 12.930 1.00 0.00 N ATOM 921 CZ ARG A 54 89.836 -8.022 14.161 1.00 0.00 C ATOM 922 NH1 ARG A 54 89.268 -9.164 14.434 1.00 0.00 N ATOM 923 NH2 ARG A 54 90.084 -7.171 15.120 1.00 0.00 N ATOM 0 H ARG A 54 91.413 -4.995 9.598 1.00 0.00 H new ATOM 0 HA ARG A 54 92.477 -7.372 8.197 1.00 0.00 H new ATOM 0 HB2 ARG A 54 91.744 -9.001 9.668 1.00 0.00 H new ATOM 0 HB3 ARG A 54 92.135 -7.766 10.849 1.00 0.00 H new ATOM 0 HG2 ARG A 54 89.661 -6.955 10.566 1.00 0.00 H new ATOM 0 HG3 ARG A 54 89.379 -8.473 9.736 1.00 0.00 H new ATOM 0 HD2 ARG A 54 88.851 -9.088 11.938 1.00 0.00 H new ATOM 0 HD3 ARG A 54 90.543 -9.544 11.883 1.00 0.00 H new ATOM 0 HE ARG A 54 90.613 -6.841 12.720 1.00 0.00 H new ATOM 0 HH11 ARG A 54 89.075 -9.830 13.685 1.00 0.00 H new ATOM 0 HH12 ARG A 54 89.017 -9.392 15.396 1.00 0.00 H new ATOM 0 HH21 ARG A 54 90.529 -6.278 14.907 1.00 0.00 H new ATOM 0 HH22 ARG A 54 89.832 -7.399 16.082 1.00 0.00 H new ATOM 937 N TRP A 55 89.886 -7.807 7.512 1.00 0.00 N ATOM 938 CA TRP A 55 88.607 -7.688 6.761 1.00 0.00 C ATOM 939 C TRP A 55 87.938 -9.054 6.709 1.00 0.00 C ATOM 940 O TRP A 55 88.517 -10.052 7.069 1.00 0.00 O ATOM 941 CB TRP A 55 88.859 -7.188 5.335 1.00 0.00 C ATOM 942 CG TRP A 55 89.815 -8.095 4.625 1.00 0.00 C ATOM 943 CD1 TRP A 55 89.492 -9.289 4.075 1.00 0.00 C ATOM 944 CD2 TRP A 55 91.233 -7.895 4.362 1.00 0.00 C ATOM 945 NE1 TRP A 55 90.626 -9.839 3.503 1.00 0.00 N ATOM 946 CE2 TRP A 55 91.723 -9.015 3.650 1.00 0.00 C ATOM 947 CE3 TRP A 55 92.134 -6.862 4.672 1.00 0.00 C ATOM 948 CZ2 TRP A 55 93.059 -9.105 3.259 1.00 0.00 C ATOM 949 CZ3 TRP A 55 93.479 -6.949 4.279 1.00 0.00 C ATOM 950 CH2 TRP A 55 93.939 -8.069 3.574 1.00 0.00 C ATOM 0 H TRP A 55 90.286 -8.745 7.538 1.00 0.00 H new ATOM 0 HA TRP A 55 87.963 -6.970 7.268 1.00 0.00 H new ATOM 0 HB2 TRP A 55 87.918 -7.141 4.788 1.00 0.00 H new ATOM 0 HB3 TRP A 55 89.262 -6.176 5.364 1.00 0.00 H new ATOM 0 HD1 TRP A 55 88.510 -9.739 4.081 1.00 0.00 H new ATOM 0 HE1 TRP A 55 90.648 -10.743 3.031 1.00 0.00 H new ATOM 0 HE3 TRP A 55 91.789 -5.995 5.216 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 93.410 -9.970 2.716 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 94.162 -6.149 4.521 1.00 0.00 H new ATOM 0 HH2 TRP A 55 94.975 -8.130 3.274 1.00 0.00 H new ATOM 961 N ALA A 56 86.719 -9.106 6.266 1.00 0.00 N ATOM 962 CA ALA A 56 86.006 -10.412 6.177 1.00 0.00 C ATOM 963 C ALA A 56 85.048 -10.348 4.990 1.00 0.00 C ATOM 964 O ALA A 56 84.104 -9.583 4.986 1.00 0.00 O ATOM 965 CB ALA A 56 85.234 -10.665 7.474 1.00 0.00 C ATOM 0 H ALA A 56 86.179 -8.297 5.959 1.00 0.00 H new ATOM 0 HA ALA A 56 86.715 -11.228 6.036 1.00 0.00 H new ATOM 0 HB1 ALA A 56 84.713 -11.620 7.407 1.00 0.00 H new ATOM 0 HB2 ALA A 56 85.930 -10.689 8.313 1.00 0.00 H new ATOM 0 HB3 ALA A 56 84.508 -9.866 7.627 1.00 0.00 H new ATOM 971 N ALA A 57 85.298 -11.123 3.968 1.00 0.00 N ATOM 972 CA ALA A 57 84.418 -11.086 2.762 1.00 0.00 C ATOM 973 C ALA A 57 83.418 -12.235 2.788 1.00 0.00 C ATOM 974 O ALA A 57 83.749 -13.358 3.112 1.00 0.00 O ATOM 975 CB ALA A 57 85.286 -11.207 1.512 1.00 0.00 C ATOM 0 H ALA A 57 86.075 -11.782 3.916 1.00 0.00 H new ATOM 0 HA ALA A 57 83.868 -10.145 2.756 1.00 0.00 H new ATOM 0 HB1 ALA A 57 84.653 -11.181 0.625 1.00 0.00 H new ATOM 0 HB2 ALA A 57 85.992 -10.378 1.478 1.00 0.00 H new ATOM 0 HB3 ALA A 57 85.834 -12.149 1.539 1.00 0.00 H new ATOM 981 N SER A 58 82.190 -11.951 2.427 1.00 0.00 N ATOM 982 CA SER A 58 81.130 -12.997 2.395 1.00 0.00 C ATOM 983 C SER A 58 80.524 -13.009 0.979 1.00 0.00 C ATOM 984 O SER A 58 80.679 -12.052 0.247 1.00 0.00 O ATOM 985 CB SER A 58 80.057 -12.654 3.443 1.00 0.00 C ATOM 986 OG SER A 58 80.171 -13.558 4.535 1.00 0.00 O ATOM 0 H SER A 58 81.876 -11.021 2.149 1.00 0.00 H new ATOM 0 HA SER A 58 81.537 -13.981 2.627 1.00 0.00 H new ATOM 0 HB2 SER A 58 80.183 -11.628 3.789 1.00 0.00 H new ATOM 0 HB3 SER A 58 79.063 -12.722 3.000 1.00 0.00 H new ATOM 0 HG SER A 58 79.492 -13.345 5.208 1.00 0.00 H new ATOM 992 N PRO A 59 79.853 -14.080 0.625 1.00 0.00 N ATOM 993 CA PRO A 59 79.234 -14.191 -0.708 1.00 0.00 C ATOM 994 C PRO A 59 78.217 -13.057 -0.918 1.00 0.00 C ATOM 995 O PRO A 59 77.549 -13.000 -1.931 1.00 0.00 O ATOM 996 CB PRO A 59 78.535 -15.572 -0.700 1.00 0.00 C ATOM 997 CG PRO A 59 78.623 -16.120 0.752 1.00 0.00 C ATOM 998 CD PRO A 59 79.652 -15.256 1.501 1.00 0.00 C ATOM 0 HA PRO A 59 79.959 -14.108 -1.517 1.00 0.00 H new ATOM 0 HB2 PRO A 59 77.495 -15.479 -1.014 1.00 0.00 H new ATOM 0 HB3 PRO A 59 79.020 -16.253 -1.399 1.00 0.00 H new ATOM 0 HG2 PRO A 59 77.650 -16.071 1.241 1.00 0.00 H new ATOM 0 HG3 PRO A 59 78.927 -17.167 0.751 1.00 0.00 H new ATOM 0 HD2 PRO A 59 79.283 -14.961 2.483 1.00 0.00 H new ATOM 0 HD3 PRO A 59 80.585 -15.797 1.660 1.00 0.00 H new ATOM 1006 N LYS A 60 78.070 -12.171 0.036 1.00 0.00 N ATOM 1007 CA LYS A 60 77.066 -11.076 -0.126 1.00 0.00 C ATOM 1008 C LYS A 60 77.487 -9.811 0.625 1.00 0.00 C ATOM 1009 O LYS A 60 76.958 -8.745 0.380 1.00 0.00 O ATOM 1010 CB LYS A 60 75.746 -11.560 0.457 1.00 0.00 C ATOM 1011 CG LYS A 60 75.928 -11.850 1.950 1.00 0.00 C ATOM 1012 CD LYS A 60 74.812 -12.773 2.434 1.00 0.00 C ATOM 1013 CE LYS A 60 74.878 -12.907 3.957 1.00 0.00 C ATOM 1014 NZ LYS A 60 76.047 -13.751 4.331 1.00 0.00 N ATOM 0 H LYS A 60 78.595 -12.158 0.910 1.00 0.00 H new ATOM 0 HA LYS A 60 76.980 -10.834 -1.185 1.00 0.00 H new ATOM 0 HB2 LYS A 60 74.973 -10.805 0.313 1.00 0.00 H new ATOM 0 HB3 LYS A 60 75.414 -12.459 -0.062 1.00 0.00 H new ATOM 0 HG2 LYS A 60 76.899 -12.314 2.125 1.00 0.00 H new ATOM 0 HG3 LYS A 60 75.914 -10.918 2.516 1.00 0.00 H new ATOM 0 HD2 LYS A 60 73.842 -12.374 2.136 1.00 0.00 H new ATOM 0 HD3 LYS A 60 74.910 -13.754 1.968 1.00 0.00 H new ATOM 0 HE2 LYS A 60 74.965 -11.922 4.416 1.00 0.00 H new ATOM 0 HE3 LYS A 60 73.958 -13.354 4.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 76.035 -13.927 5.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 75.997 -14.657 3.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 76.927 -13.259 4.075 1.00 0.00 H new ATOM 1028 N SER A 61 78.401 -9.917 1.554 1.00 0.00 N ATOM 1029 CA SER A 61 78.823 -8.708 2.346 1.00 0.00 C ATOM 1030 C SER A 61 80.347 -8.563 2.380 1.00 0.00 C ATOM 1031 O SER A 61 81.087 -9.421 1.941 1.00 0.00 O ATOM 1032 CB SER A 61 78.307 -8.844 3.778 1.00 0.00 C ATOM 1033 OG SER A 61 78.723 -7.717 4.538 1.00 0.00 O ATOM 0 H SER A 61 78.877 -10.784 1.803 1.00 0.00 H new ATOM 0 HA SER A 61 78.404 -7.824 1.865 1.00 0.00 H new ATOM 0 HB2 SER A 61 77.219 -8.916 3.779 1.00 0.00 H new ATOM 0 HB3 SER A 61 78.688 -9.761 4.228 1.00 0.00 H new ATOM 0 HG SER A 61 78.514 -6.896 4.046 1.00 0.00 H new ATOM 1039 N PHE A 62 80.804 -7.458 2.910 1.00 0.00 N ATOM 1040 CA PHE A 62 82.269 -7.180 3.009 1.00 0.00 C ATOM 1041 C PHE A 62 82.505 -6.362 4.283 1.00 0.00 C ATOM 1042 O PHE A 62 81.709 -5.509 4.617 1.00 0.00 O ATOM 1043 CB PHE A 62 82.703 -6.378 1.777 1.00 0.00 C ATOM 1044 CG PHE A 62 84.197 -6.114 1.798 1.00 0.00 C ATOM 1045 CD1 PHE A 62 85.108 -7.180 1.826 1.00 0.00 C ATOM 1046 CD2 PHE A 62 84.673 -4.794 1.775 1.00 0.00 C ATOM 1047 CE1 PHE A 62 86.484 -6.928 1.833 1.00 0.00 C ATOM 1048 CE2 PHE A 62 86.049 -4.546 1.782 1.00 0.00 C ATOM 1049 CZ PHE A 62 86.954 -5.612 1.810 1.00 0.00 C ATOM 0 H PHE A 62 80.209 -6.720 3.287 1.00 0.00 H new ATOM 0 HA PHE A 62 82.845 -8.104 3.050 1.00 0.00 H new ATOM 0 HB2 PHE A 62 82.440 -6.925 0.872 1.00 0.00 H new ATOM 0 HB3 PHE A 62 82.163 -5.431 1.746 1.00 0.00 H new ATOM 0 HD1 PHE A 62 84.746 -8.198 1.842 1.00 0.00 H new ATOM 0 HD2 PHE A 62 83.976 -3.969 1.752 1.00 0.00 H new ATOM 0 HE1 PHE A 62 87.183 -7.751 1.856 1.00 0.00 H new ATOM 0 HE2 PHE A 62 86.414 -3.530 1.766 1.00 0.00 H new ATOM 0 HZ PHE A 62 88.016 -5.418 1.814 1.00 0.00 H new ATOM 1059 N THR A 63 83.565 -6.624 5.018 1.00 0.00 N ATOM 1060 CA THR A 63 83.803 -5.861 6.293 1.00 0.00 C ATOM 1061 C THR A 63 85.284 -5.489 6.435 1.00 0.00 C ATOM 1062 O THR A 63 86.161 -6.204 6.000 1.00 0.00 O ATOM 1063 CB THR A 63 83.362 -6.742 7.477 1.00 0.00 C ATOM 1064 OG1 THR A 63 81.944 -6.739 7.558 1.00 0.00 O ATOM 1065 CG2 THR A 63 83.946 -6.219 8.797 1.00 0.00 C ATOM 0 H THR A 63 84.270 -7.326 4.794 1.00 0.00 H new ATOM 0 HA THR A 63 83.227 -4.936 6.278 1.00 0.00 H new ATOM 0 HB THR A 63 83.729 -7.755 7.313 1.00 0.00 H new ATOM 0 HG1 THR A 63 81.658 -7.300 8.309 1.00 0.00 H new ATOM 0 HG21 THR A 63 83.620 -6.858 9.618 1.00 0.00 H new ATOM 0 HG22 THR A 63 85.035 -6.227 8.742 1.00 0.00 H new ATOM 0 HG23 THR A 63 83.599 -5.200 8.970 1.00 0.00 H new ATOM 1073 N LEU A 64 85.554 -4.364 7.062 1.00 0.00 N ATOM 1074 CA LEU A 64 86.971 -3.911 7.270 1.00 0.00 C ATOM 1075 C LEU A 64 87.188 -3.559 8.742 1.00 0.00 C ATOM 1076 O LEU A 64 86.254 -3.347 9.490 1.00 0.00 O ATOM 1077 CB LEU A 64 87.248 -2.654 6.450 1.00 0.00 C ATOM 1078 CG LEU A 64 86.923 -2.905 4.976 1.00 0.00 C ATOM 1079 CD1 LEU A 64 86.963 -1.570 4.221 1.00 0.00 C ATOM 1080 CD2 LEU A 64 87.943 -3.893 4.362 1.00 0.00 C ATOM 0 H LEU A 64 84.846 -3.735 7.442 1.00 0.00 H new ATOM 0 HA LEU A 64 87.636 -4.718 6.962 1.00 0.00 H new ATOM 0 HB2 LEU A 64 86.648 -1.825 6.827 1.00 0.00 H new ATOM 0 HB3 LEU A 64 88.294 -2.365 6.556 1.00 0.00 H new ATOM 0 HG LEU A 64 85.928 -3.343 4.894 1.00 0.00 H new ATOM 0 HD11 LEU A 64 86.732 -1.740 3.169 1.00 0.00 H new ATOM 0 HD12 LEU A 64 86.228 -0.888 4.648 1.00 0.00 H new ATOM 0 HD13 LEU A 64 87.957 -1.132 4.308 1.00 0.00 H new ATOM 0 HD21 LEU A 64 87.700 -4.062 3.313 1.00 0.00 H new ATOM 0 HD22 LEU A 64 88.946 -3.474 4.439 1.00 0.00 H new ATOM 0 HD23 LEU A 64 87.903 -4.839 4.901 1.00 0.00 H new ATOM 1092 N ASP A 65 88.425 -3.474 9.147 1.00 0.00 N ATOM 1093 CA ASP A 65 88.758 -3.109 10.562 1.00 0.00 C ATOM 1094 C ASP A 65 89.840 -2.033 10.554 1.00 0.00 C ATOM 1095 O ASP A 65 90.916 -2.237 10.034 1.00 0.00 O ATOM 1096 CB ASP A 65 89.279 -4.336 11.308 1.00 0.00 C ATOM 1097 CG ASP A 65 89.633 -3.945 12.744 1.00 0.00 C ATOM 1098 OD1 ASP A 65 89.144 -2.924 13.197 1.00 0.00 O ATOM 1099 OD2 ASP A 65 90.387 -4.675 13.366 1.00 0.00 O ATOM 0 H ASP A 65 89.235 -3.644 8.551 1.00 0.00 H new ATOM 0 HA ASP A 65 87.862 -2.739 11.061 1.00 0.00 H new ATOM 0 HB2 ASP A 65 88.524 -5.122 11.309 1.00 0.00 H new ATOM 0 HB3 ASP A 65 90.157 -4.738 10.802 1.00 0.00 H new ATOM 1104 N PHE A 66 89.572 -0.891 11.130 1.00 0.00 N ATOM 1105 CA PHE A 66 90.592 0.202 11.160 1.00 0.00 C ATOM 1106 C PHE A 66 91.243 0.242 12.540 1.00 0.00 C ATOM 1107 O PHE A 66 92.083 1.073 12.822 1.00 0.00 O ATOM 1108 CB PHE A 66 89.899 1.533 10.879 1.00 0.00 C ATOM 1109 CG PHE A 66 89.272 1.471 9.507 1.00 0.00 C ATOM 1110 CD1 PHE A 66 90.080 1.554 8.366 1.00 0.00 C ATOM 1111 CD2 PHE A 66 87.887 1.313 9.374 1.00 0.00 C ATOM 1112 CE1 PHE A 66 89.503 1.480 7.093 1.00 0.00 C ATOM 1113 CE2 PHE A 66 87.310 1.241 8.101 1.00 0.00 C ATOM 1114 CZ PHE A 66 88.118 1.324 6.961 1.00 0.00 C ATOM 0 H PHE A 66 88.687 -0.666 11.584 1.00 0.00 H new ATOM 0 HA PHE A 66 91.357 0.022 10.405 1.00 0.00 H new ATOM 0 HB2 PHE A 66 89.138 1.730 11.634 1.00 0.00 H new ATOM 0 HB3 PHE A 66 90.617 2.351 10.930 1.00 0.00 H new ATOM 0 HD1 PHE A 66 91.148 1.675 8.468 1.00 0.00 H new ATOM 0 HD2 PHE A 66 87.264 1.247 10.254 1.00 0.00 H new ATOM 0 HE1 PHE A 66 90.126 1.543 6.213 1.00 0.00 H new ATOM 0 HE2 PHE A 66 86.242 1.121 7.998 1.00 0.00 H new ATOM 0 HZ PHE A 66 87.673 1.268 5.979 1.00 0.00 H new ATOM 1124 N GLY A 67 90.855 -0.654 13.401 1.00 0.00 N ATOM 1125 CA GLY A 67 91.443 -0.678 14.769 1.00 0.00 C ATOM 1126 C GLY A 67 90.948 0.537 15.549 1.00 0.00 C ATOM 1127 O GLY A 67 91.205 0.678 16.728 1.00 0.00 O ATOM 0 H GLY A 67 90.155 -1.373 13.217 1.00 0.00 H new ATOM 0 HA2 GLY A 67 91.159 -1.596 15.284 1.00 0.00 H new ATOM 0 HA3 GLY A 67 92.531 -0.669 14.710 1.00 0.00 H new ATOM 1131 N ASP A 68 90.236 1.418 14.899 1.00 0.00 N ATOM 1132 CA ASP A 68 89.722 2.627 15.603 1.00 0.00 C ATOM 1133 C ASP A 68 88.401 2.288 16.298 1.00 0.00 C ATOM 1134 O ASP A 68 87.350 2.289 15.689 1.00 0.00 O ATOM 1135 CB ASP A 68 89.498 3.748 14.589 1.00 0.00 C ATOM 1136 CG ASP A 68 90.670 3.795 13.608 1.00 0.00 C ATOM 1137 OD1 ASP A 68 91.778 3.501 14.024 1.00 0.00 O ATOM 1138 OD2 ASP A 68 90.439 4.126 12.456 1.00 0.00 O ATOM 0 H ASP A 68 89.988 1.352 13.912 1.00 0.00 H new ATOM 0 HA ASP A 68 90.448 2.954 16.348 1.00 0.00 H new ATOM 0 HB2 ASP A 68 88.566 3.583 14.049 1.00 0.00 H new ATOM 0 HB3 ASP A 68 89.403 4.704 15.104 1.00 0.00 H new ATOM 1143 N TYR A 69 88.449 1.997 17.570 1.00 0.00 N ATOM 1144 CA TYR A 69 87.202 1.656 18.313 1.00 0.00 C ATOM 1145 C TYR A 69 86.099 2.653 17.957 1.00 0.00 C ATOM 1146 O TYR A 69 84.988 2.281 17.634 1.00 0.00 O ATOM 1147 CB TYR A 69 87.480 1.723 19.815 1.00 0.00 C ATOM 1148 CG TYR A 69 86.201 1.465 20.574 1.00 0.00 C ATOM 1149 CD1 TYR A 69 85.724 0.158 20.709 1.00 0.00 C ATOM 1150 CD2 TYR A 69 85.493 2.532 21.143 1.00 0.00 C ATOM 1151 CE1 TYR A 69 84.539 -0.086 21.414 1.00 0.00 C ATOM 1152 CE2 TYR A 69 84.308 2.289 21.848 1.00 0.00 C ATOM 1153 CZ TYR A 69 83.831 0.979 21.983 1.00 0.00 C ATOM 1154 OH TYR A 69 82.663 0.738 22.678 1.00 0.00 O ATOM 0 H TYR A 69 89.302 1.981 18.129 1.00 0.00 H new ATOM 0 HA TYR A 69 86.880 0.651 18.040 1.00 0.00 H new ATOM 0 HB2 TYR A 69 88.234 0.985 20.090 1.00 0.00 H new ATOM 0 HB3 TYR A 69 87.881 2.702 20.078 1.00 0.00 H new ATOM 0 HD1 TYR A 69 86.270 -0.664 20.269 1.00 0.00 H new ATOM 0 HD2 TYR A 69 85.861 3.542 21.038 1.00 0.00 H new ATOM 0 HE1 TYR A 69 84.171 -1.096 21.519 1.00 0.00 H new ATOM 0 HE2 TYR A 69 83.762 3.111 22.287 1.00 0.00 H new ATOM 0 HH TYR A 69 82.298 1.585 23.009 1.00 0.00 H new ATOM 1164 N GLN A 70 86.401 3.918 18.017 1.00 0.00 N ATOM 1165 CA GLN A 70 85.378 4.950 17.687 1.00 0.00 C ATOM 1166 C GLN A 70 84.719 4.621 16.348 1.00 0.00 C ATOM 1167 O GLN A 70 83.516 4.478 16.257 1.00 0.00 O ATOM 1168 CB GLN A 70 86.045 6.331 17.608 1.00 0.00 C ATOM 1169 CG GLN A 70 87.213 6.312 16.613 1.00 0.00 C ATOM 1170 CD GLN A 70 88.189 7.449 16.934 1.00 0.00 C ATOM 1171 OE1 GLN A 70 87.812 8.440 17.527 1.00 0.00 O ATOM 1172 NE2 GLN A 70 89.437 7.345 16.563 1.00 0.00 N ATOM 0 H GLN A 70 87.315 4.285 18.281 1.00 0.00 H new ATOM 0 HA GLN A 70 84.616 4.959 18.467 1.00 0.00 H new ATOM 0 HB2 GLN A 70 85.312 7.078 17.302 1.00 0.00 H new ATOM 0 HB3 GLN A 70 86.405 6.623 18.594 1.00 0.00 H new ATOM 0 HG2 GLN A 70 87.729 5.353 16.663 1.00 0.00 H new ATOM 0 HG3 GLN A 70 86.837 6.420 15.595 1.00 0.00 H new ATOM 0 HE21 GLN A 70 89.753 6.513 16.065 1.00 0.00 H new ATOM 0 HE22 GLN A 70 90.095 8.096 16.771 1.00 0.00 H new ATOM 1181 N ASP A 71 85.492 4.505 15.307 1.00 0.00 N ATOM 1182 CA ASP A 71 84.905 4.193 13.979 1.00 0.00 C ATOM 1183 C ASP A 71 84.359 2.767 13.992 1.00 0.00 C ATOM 1184 O ASP A 71 83.369 2.461 13.357 1.00 0.00 O ATOM 1185 CB ASP A 71 85.989 4.325 12.907 1.00 0.00 C ATOM 1186 CG ASP A 71 85.345 4.541 11.533 1.00 0.00 C ATOM 1187 OD1 ASP A 71 85.007 5.673 11.231 1.00 0.00 O ATOM 1188 OD2 ASP A 71 85.204 3.570 10.808 1.00 0.00 O ATOM 0 H ASP A 71 86.506 4.613 15.319 1.00 0.00 H new ATOM 0 HA ASP A 71 84.093 4.887 13.759 1.00 0.00 H new ATOM 0 HB2 ASP A 71 86.647 5.161 13.145 1.00 0.00 H new ATOM 0 HB3 ASP A 71 86.607 3.427 12.891 1.00 0.00 H new ATOM 1193 N GLY A 72 85.001 1.894 14.712 1.00 0.00 N ATOM 1194 CA GLY A 72 84.527 0.487 14.770 1.00 0.00 C ATOM 1195 C GLY A 72 84.691 -0.158 13.396 1.00 0.00 C ATOM 1196 O GLY A 72 85.294 0.404 12.503 1.00 0.00 O ATOM 0 H GLY A 72 85.835 2.095 15.264 1.00 0.00 H new ATOM 0 HA2 GLY A 72 85.095 -0.070 15.516 1.00 0.00 H new ATOM 0 HA3 GLY A 72 83.481 0.456 15.077 1.00 0.00 H new ATOM 1200 N TYR A 73 84.162 -1.333 13.219 1.00 0.00 N ATOM 1201 CA TYR A 73 84.288 -2.016 11.903 1.00 0.00 C ATOM 1202 C TYR A 73 83.415 -1.306 10.870 1.00 0.00 C ATOM 1203 O TYR A 73 82.574 -0.494 11.202 1.00 0.00 O ATOM 1204 CB TYR A 73 83.825 -3.468 12.033 1.00 0.00 C ATOM 1205 CG TYR A 73 84.622 -4.162 13.108 1.00 0.00 C ATOM 1206 CD1 TYR A 73 85.944 -4.533 12.857 1.00 0.00 C ATOM 1207 CD2 TYR A 73 84.041 -4.436 14.350 1.00 0.00 C ATOM 1208 CE1 TYR A 73 86.691 -5.180 13.847 1.00 0.00 C ATOM 1209 CE2 TYR A 73 84.785 -5.083 15.343 1.00 0.00 C ATOM 1210 CZ TYR A 73 86.112 -5.456 15.092 1.00 0.00 C ATOM 1211 OH TYR A 73 86.847 -6.095 16.070 1.00 0.00 O ATOM 0 H TYR A 73 83.646 -1.852 13.930 1.00 0.00 H new ATOM 0 HA TYR A 73 85.330 -1.988 11.584 1.00 0.00 H new ATOM 0 HB2 TYR A 73 82.763 -3.501 12.276 1.00 0.00 H new ATOM 0 HB3 TYR A 73 83.950 -3.986 11.082 1.00 0.00 H new ATOM 0 HD1 TYR A 73 86.391 -4.320 11.897 1.00 0.00 H new ATOM 0 HD2 TYR A 73 83.018 -4.148 14.543 1.00 0.00 H new ATOM 0 HE1 TYR A 73 87.714 -5.467 13.651 1.00 0.00 H new ATOM 0 HE2 TYR A 73 84.337 -5.295 16.302 1.00 0.00 H new ATOM 0 HH TYR A 73 86.295 -6.208 16.872 1.00 0.00 H new ATOM 1221 N TYR A 74 83.601 -1.626 9.617 1.00 0.00 N ATOM 1222 CA TYR A 74 82.787 -1.008 8.531 1.00 0.00 C ATOM 1223 C TYR A 74 82.280 -2.129 7.632 1.00 0.00 C ATOM 1224 O TYR A 74 83.027 -2.715 6.877 1.00 0.00 O ATOM 1225 CB TYR A 74 83.666 -0.057 7.720 1.00 0.00 C ATOM 1226 CG TYR A 74 82.914 0.434 6.505 1.00 0.00 C ATOM 1227 CD1 TYR A 74 81.954 1.444 6.637 1.00 0.00 C ATOM 1228 CD2 TYR A 74 83.178 -0.120 5.244 1.00 0.00 C ATOM 1229 CE1 TYR A 74 81.258 1.901 5.512 1.00 0.00 C ATOM 1230 CE2 TYR A 74 82.483 0.338 4.119 1.00 0.00 C ATOM 1231 CZ TYR A 74 81.522 1.348 4.252 1.00 0.00 C ATOM 1232 OH TYR A 74 80.836 1.799 3.143 1.00 0.00 O ATOM 0 H TYR A 74 84.295 -2.301 9.296 1.00 0.00 H new ATOM 0 HA TYR A 74 81.950 -0.448 8.948 1.00 0.00 H new ATOM 0 HB2 TYR A 74 83.967 0.789 8.338 1.00 0.00 H new ATOM 0 HB3 TYR A 74 84.579 -0.567 7.411 1.00 0.00 H new ATOM 0 HD1 TYR A 74 81.750 1.871 7.608 1.00 0.00 H new ATOM 0 HD2 TYR A 74 83.918 -0.900 5.141 1.00 0.00 H new ATOM 0 HE1 TYR A 74 80.517 2.680 5.615 1.00 0.00 H new ATOM 0 HE2 TYR A 74 82.688 -0.088 3.148 1.00 0.00 H new ATOM 0 HH TYR A 74 79.982 2.191 3.423 1.00 0.00 H new ATOM 1242 N SER A 75 81.015 -2.438 7.728 1.00 0.00 N ATOM 1243 CA SER A 75 80.422 -3.540 6.910 1.00 0.00 C ATOM 1244 C SER A 75 79.346 -3.004 5.969 1.00 0.00 C ATOM 1245 O SER A 75 78.617 -2.085 6.285 1.00 0.00 O ATOM 1246 CB SER A 75 79.796 -4.572 7.847 1.00 0.00 C ATOM 1247 OG SER A 75 78.516 -4.115 8.263 1.00 0.00 O ATOM 0 H SER A 75 80.356 -1.967 8.348 1.00 0.00 H new ATOM 0 HA SER A 75 81.212 -3.994 6.312 1.00 0.00 H new ATOM 0 HB2 SER A 75 79.704 -5.532 7.340 1.00 0.00 H new ATOM 0 HB3 SER A 75 80.438 -4.729 8.714 1.00 0.00 H new ATOM 0 HG SER A 75 78.112 -4.776 8.863 1.00 0.00 H new ATOM 1253 N VAL A 76 79.241 -3.600 4.812 1.00 0.00 N ATOM 1254 CA VAL A 76 78.212 -3.174 3.820 1.00 0.00 C ATOM 1255 C VAL A 76 77.856 -4.378 2.947 1.00 0.00 C ATOM 1256 O VAL A 76 78.547 -5.378 2.949 1.00 0.00 O ATOM 1257 CB VAL A 76 78.767 -2.051 2.939 1.00 0.00 C ATOM 1258 CG1 VAL A 76 79.062 -0.823 3.800 1.00 0.00 C ATOM 1259 CG2 VAL A 76 80.059 -2.519 2.269 1.00 0.00 C ATOM 0 H VAL A 76 79.832 -4.374 4.508 1.00 0.00 H new ATOM 0 HA VAL A 76 77.327 -2.807 4.340 1.00 0.00 H new ATOM 0 HB VAL A 76 78.031 -1.794 2.177 1.00 0.00 H new ATOM 0 HG11 VAL A 76 79.457 -0.025 3.172 1.00 0.00 H new ATOM 0 HG12 VAL A 76 78.143 -0.486 4.280 1.00 0.00 H new ATOM 0 HG13 VAL A 76 79.796 -1.081 4.563 1.00 0.00 H new ATOM 0 HG21 VAL A 76 80.454 -1.720 1.642 1.00 0.00 H new ATOM 0 HG22 VAL A 76 80.792 -2.777 3.033 1.00 0.00 H new ATOM 0 HG23 VAL A 76 79.853 -3.395 1.654 1.00 0.00 H new ATOM 1269 N GLN A 77 76.788 -4.302 2.203 1.00 0.00 N ATOM 1270 CA GLN A 77 76.405 -5.452 1.343 1.00 0.00 C ATOM 1271 C GLN A 77 77.268 -5.451 0.077 1.00 0.00 C ATOM 1272 O GLN A 77 77.435 -4.435 -0.568 1.00 0.00 O ATOM 1273 CB GLN A 77 74.924 -5.316 0.962 1.00 0.00 C ATOM 1274 CG GLN A 77 74.037 -5.854 2.094 1.00 0.00 C ATOM 1275 CD GLN A 77 73.955 -7.381 2.008 1.00 0.00 C ATOM 1276 OE1 GLN A 77 73.230 -7.918 1.194 1.00 0.00 O ATOM 1277 NE2 GLN A 77 74.674 -8.107 2.820 1.00 0.00 N ATOM 0 H GLN A 77 76.166 -3.495 2.154 1.00 0.00 H new ATOM 0 HA GLN A 77 76.561 -6.387 1.880 1.00 0.00 H new ATOM 0 HB2 GLN A 77 74.685 -4.270 0.768 1.00 0.00 H new ATOM 0 HB3 GLN A 77 74.725 -5.865 0.041 1.00 0.00 H new ATOM 0 HG2 GLN A 77 74.444 -5.556 3.060 1.00 0.00 H new ATOM 0 HG3 GLN A 77 73.039 -5.422 2.022 1.00 0.00 H new ATOM 0 HE21 GLN A 77 75.283 -7.657 3.503 1.00 0.00 H new ATOM 0 HE22 GLN A 77 74.627 -9.125 2.771 1.00 0.00 H new ATOM 1286 N THR A 78 77.810 -6.587 -0.286 1.00 0.00 N ATOM 1287 CA THR A 78 78.660 -6.666 -1.511 1.00 0.00 C ATOM 1288 C THR A 78 78.468 -8.019 -2.183 1.00 0.00 C ATOM 1289 O THR A 78 78.667 -9.058 -1.586 1.00 0.00 O ATOM 1290 CB THR A 78 80.138 -6.526 -1.143 1.00 0.00 C ATOM 1291 OG1 THR A 78 80.543 -7.659 -0.388 1.00 0.00 O ATOM 1292 CG2 THR A 78 80.363 -5.260 -0.320 1.00 0.00 C ATOM 0 H THR A 78 77.699 -7.467 0.217 1.00 0.00 H new ATOM 0 HA THR A 78 78.366 -5.859 -2.183 1.00 0.00 H new ATOM 0 HB THR A 78 80.727 -6.460 -2.058 1.00 0.00 H new ATOM 0 HG1 THR A 78 79.864 -8.362 -0.463 1.00 0.00 H new ATOM 0 HG21 THR A 78 81.419 -5.174 -0.066 1.00 0.00 H new ATOM 0 HG22 THR A 78 80.058 -4.390 -0.901 1.00 0.00 H new ATOM 0 HG23 THR A 78 79.773 -5.311 0.595 1.00 0.00 H new ATOM 1300 N THR A 79 78.107 -8.014 -3.427 1.00 0.00 N ATOM 1301 CA THR A 79 77.927 -9.297 -4.153 1.00 0.00 C ATOM 1302 C THR A 79 79.306 -9.882 -4.446 1.00 0.00 C ATOM 1303 O THR A 79 79.455 -11.060 -4.702 1.00 0.00 O ATOM 1304 CB THR A 79 77.199 -9.033 -5.470 1.00 0.00 C ATOM 1305 OG1 THR A 79 75.952 -8.407 -5.204 1.00 0.00 O ATOM 1306 CG2 THR A 79 76.965 -10.353 -6.204 1.00 0.00 C ATOM 0 H THR A 79 77.927 -7.174 -3.978 1.00 0.00 H new ATOM 0 HA THR A 79 77.343 -9.993 -3.551 1.00 0.00 H new ATOM 0 HB THR A 79 77.808 -8.379 -6.095 1.00 0.00 H new ATOM 0 HG1 THR A 79 75.485 -8.236 -6.048 1.00 0.00 H new ATOM 0 HG21 THR A 79 76.446 -10.160 -7.143 1.00 0.00 H new ATOM 0 HG22 THR A 79 77.923 -10.829 -6.411 1.00 0.00 H new ATOM 0 HG23 THR A 79 76.359 -11.012 -5.583 1.00 0.00 H new ATOM 1314 N GLU A 80 80.317 -9.048 -4.412 1.00 0.00 N ATOM 1315 CA GLU A 80 81.712 -9.509 -4.689 1.00 0.00 C ATOM 1316 C GLU A 80 82.634 -9.094 -3.542 1.00 0.00 C ATOM 1317 O GLU A 80 83.781 -8.750 -3.748 1.00 0.00 O ATOM 1318 CB GLU A 80 82.206 -8.866 -5.984 1.00 0.00 C ATOM 1319 CG GLU A 80 81.140 -9.019 -7.070 1.00 0.00 C ATOM 1320 CD GLU A 80 81.737 -8.663 -8.433 1.00 0.00 C ATOM 1321 OE1 GLU A 80 82.548 -7.752 -8.482 1.00 0.00 O ATOM 1322 OE2 GLU A 80 81.374 -9.306 -9.403 1.00 0.00 O ATOM 0 H GLU A 80 80.232 -8.054 -4.201 1.00 0.00 H new ATOM 0 HA GLU A 80 81.719 -10.595 -4.784 1.00 0.00 H new ATOM 0 HB2 GLU A 80 82.423 -7.811 -5.819 1.00 0.00 H new ATOM 0 HB3 GLU A 80 83.136 -9.336 -6.304 1.00 0.00 H new ATOM 0 HG2 GLU A 80 80.765 -10.042 -7.083 1.00 0.00 H new ATOM 0 HG3 GLU A 80 80.291 -8.371 -6.854 1.00 0.00 H new ATOM 1329 N GLY A 81 82.146 -9.132 -2.337 1.00 0.00 N ATOM 1330 CA GLY A 81 83.000 -8.748 -1.176 1.00 0.00 C ATOM 1331 C GLY A 81 84.320 -9.515 -1.247 1.00 0.00 C ATOM 1332 O GLY A 81 85.265 -9.216 -0.544 1.00 0.00 O ATOM 0 H GLY A 81 81.194 -9.412 -2.103 1.00 0.00 H new ATOM 0 HA2 GLY A 81 83.188 -7.674 -1.187 1.00 0.00 H new ATOM 0 HA3 GLY A 81 82.486 -8.972 -0.241 1.00 0.00 H new ATOM 1336 N GLU A 82 84.389 -10.503 -2.095 1.00 0.00 N ATOM 1337 CA GLU A 82 85.642 -11.297 -2.222 1.00 0.00 C ATOM 1338 C GLU A 82 86.640 -10.528 -3.090 1.00 0.00 C ATOM 1339 O GLU A 82 87.737 -10.217 -2.670 1.00 0.00 O ATOM 1340 CB GLU A 82 85.303 -12.643 -2.879 1.00 0.00 C ATOM 1341 CG GLU A 82 86.573 -13.318 -3.389 1.00 0.00 C ATOM 1342 CD GLU A 82 86.295 -14.795 -3.676 1.00 0.00 C ATOM 1343 OE1 GLU A 82 85.144 -15.188 -3.587 1.00 0.00 O ATOM 1344 OE2 GLU A 82 87.238 -15.507 -3.981 1.00 0.00 O ATOM 0 H GLU A 82 83.628 -10.796 -2.708 1.00 0.00 H new ATOM 0 HA GLU A 82 86.084 -11.469 -1.241 1.00 0.00 H new ATOM 0 HB2 GLU A 82 84.803 -13.291 -2.159 1.00 0.00 H new ATOM 0 HB3 GLU A 82 84.609 -12.488 -3.705 1.00 0.00 H new ATOM 0 HG2 GLU A 82 86.921 -12.821 -4.295 1.00 0.00 H new ATOM 0 HG3 GLU A 82 87.368 -13.225 -2.649 1.00 0.00 H new ATOM 1351 N GLN A 83 86.262 -10.221 -4.293 1.00 0.00 N ATOM 1352 CA GLN A 83 87.178 -9.471 -5.195 1.00 0.00 C ATOM 1353 C GLN A 83 87.643 -8.219 -4.476 1.00 0.00 C ATOM 1354 O GLN A 83 88.818 -7.914 -4.418 1.00 0.00 O ATOM 1355 CB GLN A 83 86.445 -9.074 -6.477 1.00 0.00 C ATOM 1356 CG GLN A 83 85.769 -10.293 -7.094 1.00 0.00 C ATOM 1357 CD GLN A 83 84.814 -9.848 -8.198 1.00 0.00 C ATOM 1358 OE1 GLN A 83 83.685 -10.478 -8.340 1.00 0.00 O flip ATOM 1359 NE2 GLN A 83 85.098 -8.924 -8.934 1.00 0.00 N flip ATOM 0 H GLN A 83 85.355 -10.457 -4.695 1.00 0.00 H new ATOM 0 HA GLN A 83 88.030 -10.099 -5.456 1.00 0.00 H new ATOM 0 HB2 GLN A 83 85.701 -8.308 -6.257 1.00 0.00 H new ATOM 0 HB3 GLN A 83 87.148 -8.640 -7.188 1.00 0.00 H new ATOM 0 HG2 GLN A 83 86.520 -10.970 -7.501 1.00 0.00 H new ATOM 0 HG3 GLN A 83 85.223 -10.845 -6.328 1.00 0.00 H new ATOM 0 HE21 GLN A 83 85.985 -8.434 -8.818 1.00 0.00 H new ATOM 0 HE22 GLN A 83 84.450 -8.639 -9.668 1.00 0.00 H new ATOM 1368 N ILE A 84 86.723 -7.498 -3.910 1.00 0.00 N ATOM 1369 CA ILE A 84 87.099 -6.268 -3.168 1.00 0.00 C ATOM 1370 C ILE A 84 88.197 -6.631 -2.173 1.00 0.00 C ATOM 1371 O ILE A 84 89.040 -5.827 -1.833 1.00 0.00 O ATOM 1372 CB ILE A 84 85.881 -5.733 -2.417 1.00 0.00 C ATOM 1373 CG1 ILE A 84 84.813 -5.305 -3.431 1.00 0.00 C ATOM 1374 CG2 ILE A 84 86.296 -4.535 -1.560 1.00 0.00 C ATOM 1375 CD1 ILE A 84 83.499 -4.967 -2.714 1.00 0.00 C ATOM 0 H ILE A 84 85.725 -7.707 -3.929 1.00 0.00 H new ATOM 0 HA ILE A 84 87.453 -5.502 -3.857 1.00 0.00 H new ATOM 0 HB ILE A 84 85.475 -6.510 -1.770 1.00 0.00 H new ATOM 0 HG12 ILE A 84 85.162 -4.438 -3.992 1.00 0.00 H new ATOM 0 HG13 ILE A 84 84.646 -6.105 -4.152 1.00 0.00 H new ATOM 0 HG21 ILE A 84 85.427 -4.153 -1.024 1.00 0.00 H new ATOM 0 HG22 ILE A 84 87.056 -4.846 -0.844 1.00 0.00 H new ATOM 0 HG23 ILE A 84 86.700 -3.752 -2.201 1.00 0.00 H new ATOM 0 HD11 ILE A 84 82.751 -4.665 -3.448 1.00 0.00 H new ATOM 0 HD12 ILE A 84 83.143 -5.844 -2.173 1.00 0.00 H new ATOM 0 HD13 ILE A 84 83.668 -4.151 -2.011 1.00 0.00 H new ATOM 1387 N ALA A 85 88.191 -7.854 -1.719 1.00 0.00 N ATOM 1388 CA ALA A 85 89.232 -8.308 -0.757 1.00 0.00 C ATOM 1389 C ALA A 85 90.476 -8.734 -1.537 1.00 0.00 C ATOM 1390 O ALA A 85 91.590 -8.614 -1.068 1.00 0.00 O ATOM 1391 CB ALA A 85 88.691 -9.495 0.049 1.00 0.00 C ATOM 0 H ALA A 85 87.504 -8.563 -1.976 1.00 0.00 H new ATOM 0 HA ALA A 85 89.490 -7.499 -0.074 1.00 0.00 H new ATOM 0 HB1 ALA A 85 89.450 -9.831 0.755 1.00 0.00 H new ATOM 0 HB2 ALA A 85 87.799 -9.188 0.594 1.00 0.00 H new ATOM 0 HB3 ALA A 85 88.439 -10.311 -0.629 1.00 0.00 H new ATOM 1397 N GLN A 86 90.289 -9.232 -2.730 1.00 0.00 N ATOM 1398 CA GLN A 86 91.451 -9.668 -3.549 1.00 0.00 C ATOM 1399 C GLN A 86 92.087 -8.445 -4.196 1.00 0.00 C ATOM 1400 O GLN A 86 93.290 -8.349 -4.333 1.00 0.00 O ATOM 1401 CB GLN A 86 90.965 -10.630 -4.632 1.00 0.00 C ATOM 1402 CG GLN A 86 92.149 -11.393 -5.218 1.00 0.00 C ATOM 1403 CD GLN A 86 91.747 -12.038 -6.542 1.00 0.00 C ATOM 1404 OE1 GLN A 86 90.827 -11.589 -7.198 1.00 0.00 O ATOM 1405 NE2 GLN A 86 92.404 -13.079 -6.965 1.00 0.00 N ATOM 0 H GLN A 86 89.378 -9.355 -3.172 1.00 0.00 H new ATOM 0 HA GLN A 86 92.186 -10.171 -2.921 1.00 0.00 H new ATOM 0 HB2 GLN A 86 90.242 -11.330 -4.212 1.00 0.00 H new ATOM 0 HB3 GLN A 86 90.452 -10.077 -5.419 1.00 0.00 H new ATOM 0 HG2 GLN A 86 92.988 -10.715 -5.374 1.00 0.00 H new ATOM 0 HG3 GLN A 86 92.483 -12.158 -4.517 1.00 0.00 H new ATOM 0 HE21 GLN A 86 93.175 -13.454 -6.413 1.00 0.00 H new ATOM 0 HE22 GLN A 86 92.147 -13.520 -7.848 1.00 0.00 H new ATOM 1414 N LEU A 87 91.280 -7.505 -4.585 1.00 0.00 N ATOM 1415 CA LEU A 87 91.818 -6.276 -5.213 1.00 0.00 C ATOM 1416 C LEU A 87 92.528 -5.468 -4.135 1.00 0.00 C ATOM 1417 O LEU A 87 93.585 -4.906 -4.346 1.00 0.00 O ATOM 1418 CB LEU A 87 90.659 -5.463 -5.802 1.00 0.00 C ATOM 1419 CG LEU A 87 91.167 -4.111 -6.315 1.00 0.00 C ATOM 1420 CD1 LEU A 87 92.315 -4.326 -7.316 1.00 0.00 C ATOM 1421 CD2 LEU A 87 90.015 -3.375 -7.005 1.00 0.00 C ATOM 0 H LEU A 87 90.265 -7.536 -4.494 1.00 0.00 H new ATOM 0 HA LEU A 87 92.516 -6.523 -6.013 1.00 0.00 H new ATOM 0 HB2 LEU A 87 90.193 -6.018 -6.617 1.00 0.00 H new ATOM 0 HB3 LEU A 87 89.892 -5.307 -5.043 1.00 0.00 H new ATOM 0 HG LEU A 87 91.536 -3.519 -5.477 1.00 0.00 H new ATOM 0 HD11 LEU A 87 92.670 -3.360 -7.675 1.00 0.00 H new ATOM 0 HD12 LEU A 87 93.133 -4.853 -6.824 1.00 0.00 H new ATOM 0 HD13 LEU A 87 91.957 -4.918 -8.159 1.00 0.00 H new ATOM 0 HD21 LEU A 87 90.367 -2.412 -7.373 1.00 0.00 H new ATOM 0 HD22 LEU A 87 89.651 -3.972 -7.841 1.00 0.00 H new ATOM 0 HD23 LEU A 87 89.206 -3.217 -6.292 1.00 0.00 H new ATOM 1433 N ILE A 88 91.947 -5.421 -2.974 1.00 0.00 N ATOM 1434 CA ILE A 88 92.560 -4.668 -1.851 1.00 0.00 C ATOM 1435 C ILE A 88 93.743 -5.471 -1.302 1.00 0.00 C ATOM 1436 O ILE A 88 94.819 -4.948 -1.092 1.00 0.00 O ATOM 1437 CB ILE A 88 91.502 -4.468 -0.761 1.00 0.00 C ATOM 1438 CG1 ILE A 88 90.499 -3.407 -1.229 1.00 0.00 C ATOM 1439 CG2 ILE A 88 92.169 -4.009 0.543 1.00 0.00 C ATOM 1440 CD1 ILE A 88 89.318 -3.338 -0.260 1.00 0.00 C ATOM 0 H ILE A 88 91.062 -5.878 -2.752 1.00 0.00 H new ATOM 0 HA ILE A 88 92.917 -3.695 -2.189 1.00 0.00 H new ATOM 0 HB ILE A 88 90.986 -5.411 -0.578 1.00 0.00 H new ATOM 0 HG12 ILE A 88 90.988 -2.435 -1.289 1.00 0.00 H new ATOM 0 HG13 ILE A 88 90.144 -3.648 -2.231 1.00 0.00 H new ATOM 0 HG21 ILE A 88 91.408 -3.870 1.311 1.00 0.00 H new ATOM 0 HG22 ILE A 88 92.883 -4.764 0.872 1.00 0.00 H new ATOM 0 HG23 ILE A 88 92.690 -3.067 0.373 1.00 0.00 H new ATOM 0 HD11 ILE A 88 88.611 -2.582 -0.601 1.00 0.00 H new ATOM 0 HD12 ILE A 88 88.821 -4.308 -0.222 1.00 0.00 H new ATOM 0 HD13 ILE A 88 89.678 -3.076 0.735 1.00 0.00 H new ATOM 1452 N ALA A 89 93.550 -6.740 -1.077 1.00 0.00 N ATOM 1453 CA ALA A 89 94.662 -7.579 -0.551 1.00 0.00 C ATOM 1454 C ALA A 89 95.831 -7.518 -1.532 1.00 0.00 C ATOM 1455 O ALA A 89 96.950 -7.865 -1.207 1.00 0.00 O ATOM 1456 CB ALA A 89 94.191 -9.028 -0.414 1.00 0.00 C ATOM 0 H ALA A 89 92.671 -7.232 -1.234 1.00 0.00 H new ATOM 0 HA ALA A 89 94.974 -7.208 0.426 1.00 0.00 H new ATOM 0 HB1 ALA A 89 95.006 -9.641 -0.029 1.00 0.00 H new ATOM 0 HB2 ALA A 89 93.347 -9.073 0.274 1.00 0.00 H new ATOM 0 HB3 ALA A 89 93.884 -9.405 -1.390 1.00 0.00 H new ATOM 1462 N GLY A 90 95.573 -7.089 -2.738 1.00 0.00 N ATOM 1463 CA GLY A 90 96.656 -7.014 -3.760 1.00 0.00 C ATOM 1464 C GLY A 90 97.388 -5.673 -3.671 1.00 0.00 C ATOM 1465 O GLY A 90 98.537 -5.565 -4.047 1.00 0.00 O ATOM 0 H GLY A 90 94.654 -6.786 -3.061 1.00 0.00 H new ATOM 0 HA2 GLY A 90 97.362 -7.831 -3.610 1.00 0.00 H new ATOM 0 HA3 GLY A 90 96.232 -7.138 -4.757 1.00 0.00 H new ATOM 1469 N TYR A 91 96.740 -4.644 -3.189 1.00 0.00 N ATOM 1470 CA TYR A 91 97.424 -3.318 -3.100 1.00 0.00 C ATOM 1471 C TYR A 91 98.238 -3.243 -1.806 1.00 0.00 C ATOM 1472 O TYR A 91 99.151 -2.453 -1.682 1.00 0.00 O ATOM 1473 CB TYR A 91 96.376 -2.193 -3.099 1.00 0.00 C ATOM 1474 CG TYR A 91 95.876 -1.926 -4.507 1.00 0.00 C ATOM 1475 CD1 TYR A 91 96.767 -1.520 -5.515 1.00 0.00 C ATOM 1476 CD2 TYR A 91 94.513 -2.068 -4.802 1.00 0.00 C ATOM 1477 CE1 TYR A 91 96.294 -1.267 -6.808 1.00 0.00 C ATOM 1478 CE2 TYR A 91 94.044 -1.812 -6.094 1.00 0.00 C ATOM 1479 CZ TYR A 91 94.934 -1.413 -7.097 1.00 0.00 C ATOM 1480 OH TYR A 91 94.469 -1.161 -8.372 1.00 0.00 O ATOM 0 H TYR A 91 95.776 -4.663 -2.856 1.00 0.00 H new ATOM 0 HA TYR A 91 98.086 -3.202 -3.958 1.00 0.00 H new ATOM 0 HB2 TYR A 91 95.540 -2.469 -2.457 1.00 0.00 H new ATOM 0 HB3 TYR A 91 96.811 -1.284 -2.683 1.00 0.00 H new ATOM 0 HD1 TYR A 91 97.817 -1.403 -5.292 1.00 0.00 H new ATOM 0 HD2 TYR A 91 93.824 -2.376 -4.030 1.00 0.00 H new ATOM 0 HE1 TYR A 91 96.980 -0.959 -7.583 1.00 0.00 H new ATOM 0 HE2 TYR A 91 92.993 -1.922 -6.318 1.00 0.00 H new ATOM 0 HH TYR A 91 93.501 -1.311 -8.403 1.00 0.00 H new ATOM 1490 N ILE A 92 97.906 -4.046 -0.839 1.00 0.00 N ATOM 1491 CA ILE A 92 98.650 -4.004 0.449 1.00 0.00 C ATOM 1492 C ILE A 92 100.064 -4.561 0.264 1.00 0.00 C ATOM 1493 O ILE A 92 100.977 -4.213 0.985 1.00 0.00 O ATOM 1494 CB ILE A 92 97.898 -4.843 1.479 1.00 0.00 C ATOM 1495 CG1 ILE A 92 96.516 -4.222 1.707 1.00 0.00 C ATOM 1496 CG2 ILE A 92 98.687 -4.867 2.791 1.00 0.00 C ATOM 1497 CD1 ILE A 92 95.682 -5.122 2.622 1.00 0.00 C ATOM 0 H ILE A 92 97.151 -4.731 -0.883 1.00 0.00 H new ATOM 0 HA ILE A 92 98.726 -2.972 0.791 1.00 0.00 H new ATOM 0 HB ILE A 92 97.783 -5.865 1.119 1.00 0.00 H new ATOM 0 HG12 ILE A 92 96.622 -3.233 2.154 1.00 0.00 H new ATOM 0 HG13 ILE A 92 96.007 -4.088 0.753 1.00 0.00 H new ATOM 0 HG21 ILE A 92 98.151 -5.466 3.527 1.00 0.00 H new ATOM 0 HG22 ILE A 92 99.671 -5.302 2.616 1.00 0.00 H new ATOM 0 HG23 ILE A 92 98.802 -3.850 3.165 1.00 0.00 H new ATOM 0 HD11 ILE A 92 94.701 -4.673 2.779 1.00 0.00 H new ATOM 0 HD12 ILE A 92 95.563 -6.101 2.159 1.00 0.00 H new ATOM 0 HD13 ILE A 92 96.187 -5.234 3.581 1.00 0.00 H new ATOM 1509 N ASP A 93 100.251 -5.426 -0.691 1.00 0.00 N ATOM 1510 CA ASP A 93 101.604 -6.013 -0.920 1.00 0.00 C ATOM 1511 C ASP A 93 102.436 -5.079 -1.803 1.00 0.00 C ATOM 1512 O ASP A 93 103.646 -5.172 -1.856 1.00 0.00 O ATOM 1513 CB ASP A 93 101.446 -7.365 -1.619 1.00 0.00 C ATOM 1514 CG ASP A 93 100.973 -8.412 -0.608 1.00 0.00 C ATOM 1515 OD1 ASP A 93 99.836 -8.319 -0.176 1.00 0.00 O ATOM 1516 OD2 ASP A 93 101.757 -9.289 -0.283 1.00 0.00 O ATOM 0 H ASP A 93 99.524 -5.755 -1.327 1.00 0.00 H new ATOM 0 HA ASP A 93 102.111 -6.143 0.036 1.00 0.00 H new ATOM 0 HB2 ASP A 93 100.728 -7.282 -2.435 1.00 0.00 H new ATOM 0 HB3 ASP A 93 102.395 -7.672 -2.059 1.00 0.00 H new ATOM 1521 N ILE A 94 101.793 -4.194 -2.510 1.00 0.00 N ATOM 1522 CA ILE A 94 102.533 -3.262 -3.411 1.00 0.00 C ATOM 1523 C ILE A 94 102.986 -2.024 -2.637 1.00 0.00 C ATOM 1524 O ILE A 94 103.948 -1.374 -2.998 1.00 0.00 O ATOM 1525 CB ILE A 94 101.612 -2.847 -4.555 1.00 0.00 C ATOM 1526 CG1 ILE A 94 101.124 -4.107 -5.281 1.00 0.00 C ATOM 1527 CG2 ILE A 94 102.385 -1.955 -5.528 1.00 0.00 C ATOM 1528 CD1 ILE A 94 100.065 -3.736 -6.319 1.00 0.00 C ATOM 0 H ILE A 94 100.780 -4.074 -2.504 1.00 0.00 H new ATOM 0 HA ILE A 94 103.415 -3.765 -3.807 1.00 0.00 H new ATOM 0 HB ILE A 94 100.757 -2.295 -4.166 1.00 0.00 H new ATOM 0 HG12 ILE A 94 101.963 -4.604 -5.767 1.00 0.00 H new ATOM 0 HG13 ILE A 94 100.708 -4.813 -4.562 1.00 0.00 H new ATOM 0 HG21 ILE A 94 101.730 -1.657 -6.347 1.00 0.00 H new ATOM 0 HG22 ILE A 94 102.739 -1.067 -5.005 1.00 0.00 H new ATOM 0 HG23 ILE A 94 103.237 -2.505 -5.927 1.00 0.00 H new ATOM 0 HD11 ILE A 94 99.724 -4.637 -6.829 1.00 0.00 H new ATOM 0 HD12 ILE A 94 99.220 -3.259 -5.822 1.00 0.00 H new ATOM 0 HD13 ILE A 94 100.494 -3.047 -7.047 1.00 0.00 H new ATOM 1540 N ILE A 95 102.307 -1.693 -1.577 1.00 0.00 N ATOM 1541 CA ILE A 95 102.705 -0.495 -0.780 1.00 0.00 C ATOM 1542 C ILE A 95 103.816 -0.888 0.185 1.00 0.00 C ATOM 1543 O ILE A 95 104.703 -0.115 0.488 1.00 0.00 O ATOM 1544 CB ILE A 95 101.507 0.013 0.018 1.00 0.00 C ATOM 1545 CG1 ILE A 95 100.915 -1.133 0.846 1.00 0.00 C ATOM 1546 CG2 ILE A 95 100.449 0.556 -0.944 1.00 0.00 C ATOM 1547 CD1 ILE A 95 99.633 -0.657 1.535 1.00 0.00 C ATOM 0 H ILE A 95 101.493 -2.198 -1.225 1.00 0.00 H new ATOM 0 HA ILE A 95 103.052 0.290 -1.452 1.00 0.00 H new ATOM 0 HB ILE A 95 101.829 0.809 0.689 1.00 0.00 H new ATOM 0 HG12 ILE A 95 100.699 -1.986 0.203 1.00 0.00 H new ATOM 0 HG13 ILE A 95 101.637 -1.469 1.590 1.00 0.00 H new ATOM 0 HG21 ILE A 95 99.593 0.919 -0.376 1.00 0.00 H new ATOM 0 HG22 ILE A 95 100.872 1.375 -1.526 1.00 0.00 H new ATOM 0 HG23 ILE A 95 100.127 -0.239 -1.617 1.00 0.00 H new ATOM 0 HD11 ILE A 95 99.212 -1.472 2.124 1.00 0.00 H new ATOM 0 HD12 ILE A 95 99.863 0.183 2.190 1.00 0.00 H new ATOM 0 HD13 ILE A 95 98.910 -0.343 0.782 1.00 0.00 H new ATOM 1559 N LEU A 96 103.763 -2.090 0.669 1.00 0.00 N ATOM 1560 CA LEU A 96 104.799 -2.567 1.623 1.00 0.00 C ATOM 1561 C LEU A 96 106.103 -2.834 0.863 1.00 0.00 C ATOM 1562 O LEU A 96 107.175 -2.865 1.433 1.00 0.00 O ATOM 1563 CB LEU A 96 104.292 -3.866 2.273 1.00 0.00 C ATOM 1564 CG LEU A 96 103.505 -3.552 3.564 1.00 0.00 C ATOM 1565 CD1 LEU A 96 102.527 -4.694 3.860 1.00 0.00 C ATOM 1566 CD2 LEU A 96 104.476 -3.402 4.744 1.00 0.00 C ATOM 0 H LEU A 96 103.039 -2.772 0.444 1.00 0.00 H new ATOM 0 HA LEU A 96 104.988 -1.817 2.391 1.00 0.00 H new ATOM 0 HB2 LEU A 96 103.654 -4.405 1.573 1.00 0.00 H new ATOM 0 HB3 LEU A 96 105.135 -4.518 2.503 1.00 0.00 H new ATOM 0 HG LEU A 96 102.954 -2.622 3.427 1.00 0.00 H new ATOM 0 HD11 LEU A 96 101.972 -4.471 4.771 1.00 0.00 H new ATOM 0 HD12 LEU A 96 101.831 -4.801 3.028 1.00 0.00 H new ATOM 0 HD13 LEU A 96 103.082 -5.623 3.991 1.00 0.00 H new ATOM 0 HD21 LEU A 96 103.914 -3.181 5.652 1.00 0.00 H new ATOM 0 HD22 LEU A 96 105.031 -4.330 4.878 1.00 0.00 H new ATOM 0 HD23 LEU A 96 105.173 -2.589 4.541 1.00 0.00 H new ATOM 1681 N TRP B 2 88.505 -15.485 9.821 1.00 0.00 N ATOM 1682 CA TRP B 2 88.868 -14.075 9.502 1.00 0.00 C ATOM 1683 C TRP B 2 90.064 -14.070 8.541 1.00 0.00 C ATOM 1684 O TRP B 2 90.549 -15.102 8.122 1.00 0.00 O ATOM 1685 CB TRP B 2 89.247 -13.338 10.805 1.00 0.00 C ATOM 1686 CG TRP B 2 88.049 -12.674 11.412 1.00 0.00 C ATOM 1687 CD1 TRP B 2 87.339 -13.155 12.455 1.00 0.00 C ATOM 1688 CD2 TRP B 2 87.425 -11.412 11.040 1.00 0.00 C ATOM 1689 NE1 TRP B 2 86.319 -12.268 12.750 1.00 0.00 N ATOM 1690 CE2 TRP B 2 86.331 -11.176 11.904 1.00 0.00 C ATOM 1691 CE3 TRP B 2 87.702 -10.458 10.045 1.00 0.00 C ATOM 1692 CZ2 TRP B 2 85.540 -10.032 11.786 1.00 0.00 C ATOM 1693 CZ3 TRP B 2 86.909 -9.305 9.924 1.00 0.00 C ATOM 1694 CH2 TRP B 2 85.832 -9.092 10.793 1.00 0.00 C ATOM 0 HA TRP B 2 88.022 -13.571 9.035 1.00 0.00 H new ATOM 0 HB2 TRP B 2 89.675 -14.045 11.516 1.00 0.00 H new ATOM 0 HB3 TRP B 2 90.014 -12.592 10.596 1.00 0.00 H new ATOM 0 HD1 TRP B 2 87.535 -14.081 12.974 1.00 0.00 H new ATOM 0 HE1 TRP B 2 85.641 -12.404 13.500 1.00 0.00 H new ATOM 0 HE3 TRP B 2 88.530 -10.613 9.369 1.00 0.00 H new ATOM 0 HZ2 TRP B 2 84.708 -9.874 12.457 1.00 0.00 H new ATOM 0 HZ3 TRP B 2 87.131 -8.579 9.156 1.00 0.00 H new ATOM 0 HH2 TRP B 2 85.227 -8.202 10.696 1.00 0.00 H new ATOM 1705 N VAL B 3 90.544 -12.905 8.204 1.00 0.00 N ATOM 1706 CA VAL B 3 91.710 -12.794 7.288 1.00 0.00 C ATOM 1707 C VAL B 3 92.449 -11.494 7.616 1.00 0.00 C ATOM 1708 O VAL B 3 91.840 -10.464 7.825 1.00 0.00 O ATOM 1709 CB VAL B 3 91.228 -12.787 5.834 1.00 0.00 C ATOM 1710 CG1 VAL B 3 90.061 -11.816 5.692 1.00 0.00 C ATOM 1711 CG2 VAL B 3 92.377 -12.359 4.909 1.00 0.00 C ATOM 0 H VAL B 3 90.171 -12.013 8.530 1.00 0.00 H new ATOM 0 HA VAL B 3 92.381 -13.643 7.418 1.00 0.00 H new ATOM 0 HB VAL B 3 90.901 -13.789 5.555 1.00 0.00 H new ATOM 0 HG11 VAL B 3 89.717 -11.810 4.658 1.00 0.00 H new ATOM 0 HG12 VAL B 3 89.246 -12.129 6.344 1.00 0.00 H new ATOM 0 HG13 VAL B 3 90.385 -10.814 5.973 1.00 0.00 H new ATOM 0 HG21 VAL B 3 92.030 -12.355 3.876 1.00 0.00 H new ATOM 0 HG22 VAL B 3 92.711 -11.358 5.183 1.00 0.00 H new ATOM 0 HG23 VAL B 3 93.206 -13.059 5.011 1.00 0.00 H new ATOM 1745 N SER B 5 96.318 -8.967 7.068 1.00 0.00 N ATOM 1746 CA SER B 5 97.285 -8.542 6.006 1.00 0.00 C ATOM 1747 C SER B 5 98.696 -8.492 6.623 1.00 0.00 C ATOM 1748 O SER B 5 98.826 -8.489 7.831 1.00 0.00 O ATOM 1749 CB SER B 5 96.883 -7.143 5.497 1.00 0.00 C ATOM 1750 OG SER B 5 97.910 -6.203 5.798 1.00 0.00 O ATOM 0 HA SER B 5 97.275 -9.244 5.172 1.00 0.00 H new ATOM 0 HB2 SER B 5 96.710 -7.174 4.421 1.00 0.00 H new ATOM 0 HB3 SER B 5 95.947 -6.833 5.961 1.00 0.00 H new ATOM 0 HG SER B 5 98.001 -6.118 6.770 1.00 0.00 H new ATOM 1756 N PRO B 6 99.716 -8.444 5.790 1.00 0.00 N ATOM 1757 CA PRO B 6 101.104 -8.381 6.285 1.00 0.00 C ATOM 1758 C PRO B 6 101.301 -7.098 7.108 1.00 0.00 C ATOM 1759 O PRO B 6 102.181 -7.015 7.943 1.00 0.00 O ATOM 1760 CB PRO B 6 101.981 -8.373 5.010 1.00 0.00 C ATOM 1761 CG PRO B 6 101.023 -8.286 3.787 1.00 0.00 C ATOM 1762 CD PRO B 6 99.581 -8.450 4.316 1.00 0.00 C ATOM 0 HA PRO B 6 101.362 -9.215 6.938 1.00 0.00 H new ATOM 0 HB2 PRO B 6 102.667 -7.526 5.021 1.00 0.00 H new ATOM 0 HB3 PRO B 6 102.590 -9.276 4.957 1.00 0.00 H new ATOM 0 HG2 PRO B 6 101.138 -7.330 3.277 1.00 0.00 H new ATOM 0 HG3 PRO B 6 101.256 -9.065 3.061 1.00 0.00 H new ATOM 0 HD2 PRO B 6 98.940 -7.638 3.974 1.00 0.00 H new ATOM 0 HD3 PRO B 6 99.134 -9.379 3.964 1.00 0.00 H new ATOM 1770 N LEU B 7 100.491 -6.097 6.876 1.00 0.00 N ATOM 1771 CA LEU B 7 100.635 -4.827 7.640 1.00 0.00 C ATOM 1772 C LEU B 7 100.778 -5.140 9.132 1.00 0.00 C ATOM 1773 O LEU B 7 100.524 -6.244 9.571 1.00 0.00 O ATOM 1774 CB LEU B 7 99.395 -3.949 7.424 1.00 0.00 C ATOM 1775 CG LEU B 7 99.295 -3.515 5.949 1.00 0.00 C ATOM 1776 CD1 LEU B 7 97.857 -3.091 5.636 1.00 0.00 C ATOM 1777 CD2 LEU B 7 100.228 -2.326 5.675 1.00 0.00 C ATOM 0 H LEU B 7 99.737 -6.107 6.190 1.00 0.00 H new ATOM 0 HA LEU B 7 101.521 -4.297 7.290 1.00 0.00 H new ATOM 0 HB2 LEU B 7 98.498 -4.499 7.710 1.00 0.00 H new ATOM 0 HB3 LEU B 7 99.448 -3.070 8.066 1.00 0.00 H new ATOM 0 HG LEU B 7 99.587 -4.356 5.321 1.00 0.00 H new ATOM 0 HD11 LEU B 7 97.787 -2.784 4.592 1.00 0.00 H new ATOM 0 HD12 LEU B 7 97.184 -3.930 5.814 1.00 0.00 H new ATOM 0 HD13 LEU B 7 97.575 -2.257 6.279 1.00 0.00 H new ATOM 0 HD21 LEU B 7 100.145 -2.032 4.629 1.00 0.00 H new ATOM 0 HD22 LEU B 7 99.945 -1.487 6.311 1.00 0.00 H new ATOM 0 HD23 LEU B 7 101.257 -2.614 5.891 1.00 0.00 H new