USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=23 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 60 LYS NZ :NH3+ 157:sc= -0.236 (180deg=-1.3!) USER MOD Set 1.2: A 61 SER OG : rot 180:sc= -0.105 USER MOD Set 2.1: A 50 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 51 ASN : amide:sc= -3.25! K(o=-3.3!,f=-0.82) USER MOD Set 3.1: A 29 THR OG1 : rot 76:sc= -2.19! USER MOD Set 3.2: A 32 CYS SG : rot 180:sc= -1.31 USER MOD Set 3.3: A 34 MET CE :methyl 151:sc= -1.98! (180deg=-0.0035) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 158:sc= -0.0726 (180deg=-0.803) USER MOD Single : A 14 LYS NZ :NH3+ -150:sc= -0.31 (180deg=-1.51!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.107) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.515 USER MOD Single : A 41 LYS NZ :NH3+ -137:sc= -2.18 (180deg=-4.63!) USER MOD Single : A 45 GLN : amide:sc= -1.56! K(o=-1.6!,f=-0.7) USER MOD Single : A 48 SER OG : rot 180:sc= 0 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 63 THR OG1 : rot 180:sc= -0.368 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot -30:sc= 0.048 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -7.02! C(o=-7!,f=-3.6!) USER MOD Single : A 78 THR OG1 : rot 23:sc= -1.18 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -0.0333 K(o=-0.033,f=-0.87) USER MOD Single : A 86 GLN : amide:sc=-0.00551 K(o=-0.0055,f=-1.8!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : B 5 SER OG : rot -66:sc= -0.825 USER MOD ----------------------------------------------------------------- ATOM 86 N VAL A 6 90.517 5.551 -9.558 1.00 0.00 N ATOM 87 CA VAL A 6 90.043 4.826 -8.342 1.00 0.00 C ATOM 88 C VAL A 6 88.890 3.899 -8.726 1.00 0.00 C ATOM 89 O VAL A 6 87.965 4.292 -9.409 1.00 0.00 O ATOM 90 CB VAL A 6 89.560 5.840 -7.302 1.00 0.00 C ATOM 91 CG1 VAL A 6 89.280 5.122 -5.981 1.00 0.00 C ATOM 92 CG2 VAL A 6 90.643 6.900 -7.083 1.00 0.00 C ATOM 0 HA VAL A 6 90.860 4.238 -7.923 1.00 0.00 H new ATOM 0 HB VAL A 6 88.647 6.318 -7.658 1.00 0.00 H new ATOM 0 HG11 VAL A 6 88.936 5.844 -5.240 1.00 0.00 H new ATOM 0 HG12 VAL A 6 88.511 4.365 -6.134 1.00 0.00 H new ATOM 0 HG13 VAL A 6 90.193 4.645 -5.626 1.00 0.00 H new ATOM 0 HG21 VAL A 6 90.300 7.623 -6.343 1.00 0.00 H new ATOM 0 HG22 VAL A 6 91.555 6.420 -6.727 1.00 0.00 H new ATOM 0 HG23 VAL A 6 90.846 7.412 -8.023 1.00 0.00 H new ATOM 102 N SER A 7 88.943 2.664 -8.301 1.00 0.00 N ATOM 103 CA SER A 7 87.858 1.705 -8.650 1.00 0.00 C ATOM 104 C SER A 7 86.690 1.858 -7.676 1.00 0.00 C ATOM 105 O SER A 7 86.790 1.535 -6.510 1.00 0.00 O ATOM 106 CB SER A 7 88.398 0.281 -8.571 1.00 0.00 C ATOM 107 OG SER A 7 89.687 0.231 -9.168 1.00 0.00 O ATOM 0 H SER A 7 89.693 2.279 -7.726 1.00 0.00 H new ATOM 0 HA SER A 7 87.509 1.913 -9.662 1.00 0.00 H new ATOM 0 HB2 SER A 7 88.454 -0.041 -7.531 1.00 0.00 H new ATOM 0 HB3 SER A 7 87.722 -0.405 -9.081 1.00 0.00 H new ATOM 0 HG SER A 7 90.036 -0.683 -9.116 1.00 0.00 H new ATOM 113 N PHE A 8 85.582 2.341 -8.158 1.00 0.00 N ATOM 114 CA PHE A 8 84.383 2.525 -7.287 1.00 0.00 C ATOM 115 C PHE A 8 83.521 1.257 -7.328 1.00 0.00 C ATOM 116 O PHE A 8 83.054 0.852 -8.374 1.00 0.00 O ATOM 117 CB PHE A 8 83.567 3.704 -7.819 1.00 0.00 C ATOM 118 CG PHE A 8 83.422 3.586 -9.318 1.00 0.00 C ATOM 119 CD1 PHE A 8 84.396 4.134 -10.162 1.00 0.00 C ATOM 120 CD2 PHE A 8 82.313 2.928 -9.864 1.00 0.00 C ATOM 121 CE1 PHE A 8 84.260 4.024 -11.551 1.00 0.00 C ATOM 122 CE2 PHE A 8 82.178 2.818 -11.253 1.00 0.00 C ATOM 123 CZ PHE A 8 83.151 3.366 -12.097 1.00 0.00 C ATOM 0 H PHE A 8 85.451 2.621 -9.130 1.00 0.00 H new ATOM 0 HA PHE A 8 84.697 2.717 -6.261 1.00 0.00 H new ATOM 0 HB2 PHE A 8 82.584 3.720 -7.349 1.00 0.00 H new ATOM 0 HB3 PHE A 8 84.058 4.643 -7.564 1.00 0.00 H new ATOM 0 HD1 PHE A 8 85.252 4.641 -9.741 1.00 0.00 H new ATOM 0 HD2 PHE A 8 81.562 2.505 -9.213 1.00 0.00 H new ATOM 0 HE1 PHE A 8 85.011 4.447 -12.202 1.00 0.00 H new ATOM 0 HE2 PHE A 8 81.323 2.310 -11.674 1.00 0.00 H new ATOM 0 HZ PHE A 8 83.046 3.281 -13.169 1.00 0.00 H new ATOM 133 N PHE A 9 83.297 0.631 -6.197 1.00 0.00 N ATOM 134 CA PHE A 9 82.455 -0.610 -6.164 1.00 0.00 C ATOM 135 C PHE A 9 81.063 -0.249 -5.633 1.00 0.00 C ATOM 136 O PHE A 9 80.929 0.438 -4.639 1.00 0.00 O ATOM 137 CB PHE A 9 83.101 -1.647 -5.228 1.00 0.00 C ATOM 138 CG PHE A 9 84.197 -2.400 -5.952 1.00 0.00 C ATOM 139 CD1 PHE A 9 85.445 -1.799 -6.153 1.00 0.00 C ATOM 140 CD2 PHE A 9 83.965 -3.703 -6.414 1.00 0.00 C ATOM 141 CE1 PHE A 9 86.461 -2.499 -6.816 1.00 0.00 C ATOM 142 CE2 PHE A 9 84.981 -4.403 -7.077 1.00 0.00 C ATOM 143 CZ PHE A 9 86.229 -3.801 -7.278 1.00 0.00 C ATOM 0 H PHE A 9 83.662 0.926 -5.292 1.00 0.00 H new ATOM 0 HA PHE A 9 82.376 -1.029 -7.167 1.00 0.00 H new ATOM 0 HB2 PHE A 9 83.512 -1.148 -4.350 1.00 0.00 H new ATOM 0 HB3 PHE A 9 82.344 -2.346 -4.872 1.00 0.00 H new ATOM 0 HD1 PHE A 9 85.625 -0.795 -5.797 1.00 0.00 H new ATOM 0 HD2 PHE A 9 83.002 -4.167 -6.259 1.00 0.00 H new ATOM 0 HE1 PHE A 9 87.424 -2.035 -6.971 1.00 0.00 H new ATOM 0 HE2 PHE A 9 84.802 -5.407 -7.433 1.00 0.00 H new ATOM 0 HZ PHE A 9 87.013 -4.340 -7.789 1.00 0.00 H new ATOM 153 N LEU A 10 80.025 -0.710 -6.280 1.00 0.00 N ATOM 154 CA LEU A 10 78.649 -0.392 -5.800 1.00 0.00 C ATOM 155 C LEU A 10 78.273 -1.342 -4.673 1.00 0.00 C ATOM 156 O LEU A 10 77.988 -2.504 -4.888 1.00 0.00 O ATOM 157 CB LEU A 10 77.640 -0.534 -6.949 1.00 0.00 C ATOM 158 CG LEU A 10 76.183 -0.263 -6.444 1.00 0.00 C ATOM 159 CD1 LEU A 10 75.565 0.913 -7.208 1.00 0.00 C ATOM 160 CD2 LEU A 10 75.306 -1.505 -6.667 1.00 0.00 C ATOM 0 H LEU A 10 80.071 -1.291 -7.117 1.00 0.00 H new ATOM 0 HA LEU A 10 78.629 0.635 -5.436 1.00 0.00 H new ATOM 0 HB2 LEU A 10 77.889 0.165 -7.747 1.00 0.00 H new ATOM 0 HB3 LEU A 10 77.703 -1.536 -7.373 1.00 0.00 H new ATOM 0 HG LEU A 10 76.231 -0.028 -5.381 1.00 0.00 H new ATOM 0 HD11 LEU A 10 74.552 1.090 -6.846 1.00 0.00 H new ATOM 0 HD12 LEU A 10 76.168 1.807 -7.050 1.00 0.00 H new ATOM 0 HD13 LEU A 10 75.535 0.680 -8.272 1.00 0.00 H new ATOM 0 HD21 LEU A 10 74.295 -1.305 -6.312 1.00 0.00 H new ATOM 0 HD22 LEU A 10 75.277 -1.744 -7.730 1.00 0.00 H new ATOM 0 HD23 LEU A 10 75.723 -2.349 -6.117 1.00 0.00 H new ATOM 172 N VAL A 11 78.251 -0.836 -3.473 1.00 0.00 N ATOM 173 CA VAL A 11 77.874 -1.659 -2.293 1.00 0.00 C ATOM 174 C VAL A 11 76.626 -1.036 -1.678 1.00 0.00 C ATOM 175 O VAL A 11 76.405 0.153 -1.800 1.00 0.00 O ATOM 176 CB VAL A 11 79.023 -1.650 -1.280 1.00 0.00 C ATOM 177 CG1 VAL A 11 80.331 -2.047 -1.982 1.00 0.00 C ATOM 178 CG2 VAL A 11 79.174 -0.246 -0.679 1.00 0.00 C ATOM 0 H VAL A 11 78.483 0.133 -3.257 1.00 0.00 H new ATOM 0 HA VAL A 11 77.677 -2.691 -2.582 1.00 0.00 H new ATOM 0 HB VAL A 11 78.805 -2.362 -0.484 1.00 0.00 H new ATOM 0 HG11 VAL A 11 81.148 -2.040 -1.260 1.00 0.00 H new ATOM 0 HG12 VAL A 11 80.228 -3.047 -2.404 1.00 0.00 H new ATOM 0 HG13 VAL A 11 80.546 -1.336 -2.780 1.00 0.00 H new ATOM 0 HG21 VAL A 11 79.992 -0.244 0.041 1.00 0.00 H new ATOM 0 HG22 VAL A 11 79.388 0.469 -1.474 1.00 0.00 H new ATOM 0 HG23 VAL A 11 78.249 0.036 -0.177 1.00 0.00 H new ATOM 188 N LYS A 12 75.806 -1.816 -1.025 1.00 0.00 N ATOM 189 CA LYS A 12 74.564 -1.253 -0.407 1.00 0.00 C ATOM 190 C LYS A 12 74.741 -1.225 1.105 1.00 0.00 C ATOM 191 O LYS A 12 75.527 -1.964 1.664 1.00 0.00 O ATOM 192 CB LYS A 12 73.350 -2.132 -0.788 1.00 0.00 C ATOM 193 CG LYS A 12 72.585 -1.496 -1.957 1.00 0.00 C ATOM 194 CD LYS A 12 71.597 -2.509 -2.527 1.00 0.00 C ATOM 195 CE LYS A 12 70.918 -1.917 -3.763 1.00 0.00 C ATOM 196 NZ LYS A 12 71.944 -1.639 -4.808 1.00 0.00 N ATOM 0 H LYS A 12 75.940 -2.818 -0.891 1.00 0.00 H new ATOM 0 HA LYS A 12 74.388 -0.241 -0.772 1.00 0.00 H new ATOM 0 HB2 LYS A 12 73.687 -3.131 -1.064 1.00 0.00 H new ATOM 0 HB3 LYS A 12 72.689 -2.245 0.071 1.00 0.00 H new ATOM 0 HG2 LYS A 12 72.055 -0.606 -1.618 1.00 0.00 H new ATOM 0 HG3 LYS A 12 73.282 -1.176 -2.731 1.00 0.00 H new ATOM 0 HD2 LYS A 12 72.116 -3.431 -2.790 1.00 0.00 H new ATOM 0 HD3 LYS A 12 70.850 -2.767 -1.776 1.00 0.00 H new ATOM 0 HE2 LYS A 12 70.170 -2.611 -4.148 1.00 0.00 H new ATOM 0 HE3 LYS A 12 70.394 -0.998 -3.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 71.487 -1.599 -5.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 72.405 -0.728 -4.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 72.657 -2.396 -4.804 1.00 0.00 H new ATOM 210 N GLU A 13 74.009 -0.372 1.763 1.00 0.00 N ATOM 211 CA GLU A 13 74.105 -0.266 3.248 1.00 0.00 C ATOM 212 C GLU A 13 72.705 -0.390 3.835 1.00 0.00 C ATOM 213 O GLU A 13 71.718 -0.204 3.151 1.00 0.00 O ATOM 214 CB GLU A 13 74.697 1.088 3.631 1.00 0.00 C ATOM 215 CG GLU A 13 76.019 1.292 2.894 1.00 0.00 C ATOM 216 CD GLU A 13 76.658 2.607 3.346 1.00 0.00 C ATOM 217 OE1 GLU A 13 75.940 3.439 3.877 1.00 0.00 O ATOM 218 OE2 GLU A 13 77.853 2.759 3.154 1.00 0.00 O ATOM 0 H GLU A 13 73.339 0.265 1.331 1.00 0.00 H new ATOM 0 HA GLU A 13 74.747 -1.057 3.635 1.00 0.00 H new ATOM 0 HB2 GLU A 13 74.000 1.887 3.377 1.00 0.00 H new ATOM 0 HB3 GLU A 13 74.858 1.135 4.708 1.00 0.00 H new ATOM 0 HG2 GLU A 13 76.693 0.459 3.097 1.00 0.00 H new ATOM 0 HG3 GLU A 13 75.849 1.309 1.818 1.00 0.00 H new ATOM 225 N LYS A 14 72.614 -0.706 5.097 1.00 0.00 N ATOM 226 CA LYS A 14 71.283 -0.854 5.755 1.00 0.00 C ATOM 227 C LYS A 14 71.058 0.330 6.692 1.00 0.00 C ATOM 228 O LYS A 14 71.677 0.442 7.732 1.00 0.00 O ATOM 229 CB LYS A 14 71.227 -2.168 6.567 1.00 0.00 C ATOM 230 CG LYS A 14 72.027 -3.289 5.876 1.00 0.00 C ATOM 231 CD LYS A 14 71.319 -3.757 4.590 1.00 0.00 C ATOM 232 CE LYS A 14 70.218 -4.777 4.923 1.00 0.00 C ATOM 233 NZ LYS A 14 70.786 -5.894 5.732 1.00 0.00 N ATOM 0 H LYS A 14 73.414 -0.870 5.708 1.00 0.00 H new ATOM 0 HA LYS A 14 70.507 -0.881 4.990 1.00 0.00 H new ATOM 0 HB2 LYS A 14 71.626 -1.997 7.567 1.00 0.00 H new ATOM 0 HB3 LYS A 14 70.189 -2.480 6.687 1.00 0.00 H new ATOM 0 HG2 LYS A 14 73.028 -2.931 5.635 1.00 0.00 H new ATOM 0 HG3 LYS A 14 72.145 -4.131 6.558 1.00 0.00 H new ATOM 0 HD2 LYS A 14 70.885 -2.900 4.074 1.00 0.00 H new ATOM 0 HD3 LYS A 14 72.044 -4.205 3.911 1.00 0.00 H new ATOM 0 HE2 LYS A 14 69.414 -4.290 5.475 1.00 0.00 H new ATOM 0 HE3 LYS A 14 69.782 -5.168 4.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 70.257 -6.768 5.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 71.786 -6.031 5.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 70.712 -5.663 6.743 1.00 0.00 H new ATOM 351 N LEU A 21 67.427 -0.500 1.396 1.00 0.00 N ATOM 352 CA LEU A 21 68.921 -0.555 1.401 1.00 0.00 C ATOM 353 C LEU A 21 69.417 0.765 0.819 1.00 0.00 C ATOM 354 O LEU A 21 68.695 1.429 0.101 1.00 0.00 O ATOM 355 CB LEU A 21 69.437 -1.713 0.518 1.00 0.00 C ATOM 356 CG LEU A 21 68.615 -2.990 0.752 1.00 0.00 C ATOM 357 CD1 LEU A 21 68.884 -3.989 -0.376 1.00 0.00 C ATOM 358 CD2 LEU A 21 69.020 -3.625 2.082 1.00 0.00 C ATOM 0 HA LEU A 21 69.282 -0.717 2.417 1.00 0.00 H new ATOM 0 HB2 LEU A 21 69.381 -1.427 -0.532 1.00 0.00 H new ATOM 0 HB3 LEU A 21 70.487 -1.905 0.741 1.00 0.00 H new ATOM 0 HG LEU A 21 67.556 -2.733 0.773 1.00 0.00 H new ATOM 0 HD11 LEU A 21 68.300 -4.894 -0.208 1.00 0.00 H new ATOM 0 HD12 LEU A 21 68.599 -3.546 -1.330 1.00 0.00 H new ATOM 0 HD13 LEU A 21 69.945 -4.240 -0.394 1.00 0.00 H new ATOM 0 HD21 LEU A 21 68.436 -4.530 2.246 1.00 0.00 H new ATOM 0 HD22 LEU A 21 70.080 -3.877 2.057 1.00 0.00 H new ATOM 0 HD23 LEU A 21 68.833 -2.921 2.893 1.00 0.00 H new ATOM 370 N VAL A 22 70.632 1.158 1.110 1.00 0.00 N ATOM 371 CA VAL A 22 71.154 2.451 0.551 1.00 0.00 C ATOM 372 C VAL A 22 72.380 2.156 -0.353 1.00 0.00 C ATOM 373 O VAL A 22 73.415 1.780 0.160 1.00 0.00 O ATOM 374 CB VAL A 22 71.584 3.347 1.737 1.00 0.00 C ATOM 375 CG1 VAL A 22 72.585 4.419 1.278 1.00 0.00 C ATOM 376 CG2 VAL A 22 70.357 4.043 2.343 1.00 0.00 C ATOM 0 H VAL A 22 71.283 0.647 1.705 1.00 0.00 H new ATOM 0 HA VAL A 22 70.388 2.953 -0.040 1.00 0.00 H new ATOM 0 HB VAL A 22 72.058 2.710 2.484 1.00 0.00 H new ATOM 0 HG11 VAL A 22 72.873 5.036 2.129 1.00 0.00 H new ATOM 0 HG12 VAL A 22 73.470 3.937 0.864 1.00 0.00 H new ATOM 0 HG13 VAL A 22 72.123 5.045 0.515 1.00 0.00 H new ATOM 0 HG21 VAL A 22 70.670 4.671 3.177 1.00 0.00 H new ATOM 0 HG22 VAL A 22 69.877 4.660 1.584 1.00 0.00 H new ATOM 0 HG23 VAL A 22 69.652 3.292 2.699 1.00 0.00 H new ATOM 386 N PRO A 23 72.269 2.363 -1.663 1.00 0.00 N ATOM 387 CA PRO A 23 73.417 2.142 -2.566 1.00 0.00 C ATOM 388 C PRO A 23 74.594 3.035 -2.149 1.00 0.00 C ATOM 389 O PRO A 23 74.414 4.119 -1.632 1.00 0.00 O ATOM 390 CB PRO A 23 72.895 2.529 -3.968 1.00 0.00 C ATOM 391 CG PRO A 23 71.357 2.662 -3.857 1.00 0.00 C ATOM 392 CD PRO A 23 71.027 2.785 -2.356 1.00 0.00 C ATOM 0 HA PRO A 23 73.781 1.115 -2.541 1.00 0.00 H new ATOM 0 HB2 PRO A 23 73.340 3.467 -4.300 1.00 0.00 H new ATOM 0 HB3 PRO A 23 73.165 1.770 -4.703 1.00 0.00 H new ATOM 0 HG2 PRO A 23 71.004 3.537 -4.403 1.00 0.00 H new ATOM 0 HG3 PRO A 23 70.862 1.794 -4.292 1.00 0.00 H new ATOM 0 HD2 PRO A 23 70.754 3.807 -2.093 1.00 0.00 H new ATOM 0 HD3 PRO A 23 70.185 2.149 -2.082 1.00 0.00 H new ATOM 400 N ARG A 24 75.795 2.582 -2.377 1.00 0.00 N ATOM 401 CA ARG A 24 76.988 3.394 -2.003 1.00 0.00 C ATOM 402 C ARG A 24 78.155 3.001 -2.906 1.00 0.00 C ATOM 403 O ARG A 24 78.339 1.843 -3.223 1.00 0.00 O ATOM 404 CB ARG A 24 77.352 3.117 -0.538 1.00 0.00 C ATOM 405 CG ARG A 24 78.407 4.130 -0.049 1.00 0.00 C ATOM 406 CD ARG A 24 77.722 5.401 0.473 1.00 0.00 C ATOM 407 NE ARG A 24 77.282 5.184 1.880 1.00 0.00 N ATOM 408 CZ ARG A 24 76.960 6.203 2.628 1.00 0.00 C ATOM 409 NH1 ARG A 24 77.018 7.413 2.142 1.00 0.00 N ATOM 410 NH2 ARG A 24 76.578 6.013 3.862 1.00 0.00 N ATOM 0 H ARG A 24 76.003 1.681 -2.808 1.00 0.00 H new ATOM 0 HA ARG A 24 76.771 4.455 -2.124 1.00 0.00 H new ATOM 0 HB2 ARG A 24 76.459 3.182 0.084 1.00 0.00 H new ATOM 0 HB3 ARG A 24 77.738 2.102 -0.437 1.00 0.00 H new ATOM 0 HG2 ARG A 24 79.011 3.684 0.741 1.00 0.00 H new ATOM 0 HG3 ARG A 24 79.085 4.382 -0.865 1.00 0.00 H new ATOM 0 HD2 ARG A 24 78.410 6.245 0.421 1.00 0.00 H new ATOM 0 HD3 ARG A 24 76.865 5.649 -0.153 1.00 0.00 H new ATOM 0 HE ARG A 24 77.233 4.238 2.258 1.00 0.00 H new ATOM 0 HH11 ARG A 24 77.315 7.562 1.178 1.00 0.00 H new ATOM 0 HH12 ARG A 24 76.766 8.210 2.727 1.00 0.00 H new ATOM 0 HH21 ARG A 24 76.531 5.067 4.242 1.00 0.00 H new ATOM 0 HH22 ARG A 24 76.326 6.810 4.446 1.00 0.00 H new ATOM 424 N LEU A 25 78.957 3.949 -3.311 1.00 0.00 N ATOM 425 CA LEU A 25 80.127 3.630 -4.179 1.00 0.00 C ATOM 426 C LEU A 25 81.366 3.577 -3.278 1.00 0.00 C ATOM 427 O LEU A 25 81.491 4.347 -2.346 1.00 0.00 O ATOM 428 CB LEU A 25 80.271 4.722 -5.244 1.00 0.00 C ATOM 429 CG LEU A 25 79.119 4.632 -6.256 1.00 0.00 C ATOM 430 CD1 LEU A 25 79.116 5.894 -7.125 1.00 0.00 C ATOM 431 CD2 LEU A 25 79.271 3.391 -7.154 1.00 0.00 C ATOM 0 H LEU A 25 78.851 4.936 -3.076 1.00 0.00 H new ATOM 0 HA LEU A 25 80.001 2.674 -4.688 1.00 0.00 H new ATOM 0 HB2 LEU A 25 80.273 5.704 -4.771 1.00 0.00 H new ATOM 0 HB3 LEU A 25 81.226 4.615 -5.759 1.00 0.00 H new ATOM 0 HG LEU A 25 78.179 4.548 -5.710 1.00 0.00 H new ATOM 0 HD11 LEU A 25 78.301 5.837 -7.846 1.00 0.00 H new ATOM 0 HD12 LEU A 25 78.980 6.771 -6.492 1.00 0.00 H new ATOM 0 HD13 LEU A 25 80.065 5.973 -7.656 1.00 0.00 H new ATOM 0 HD21 LEU A 25 78.443 3.350 -7.862 1.00 0.00 H new ATOM 0 HD22 LEU A 25 80.212 3.450 -7.700 1.00 0.00 H new ATOM 0 HD23 LEU A 25 79.265 2.492 -6.537 1.00 0.00 H new ATOM 443 N LEU A 26 82.262 2.650 -3.521 1.00 0.00 N ATOM 444 CA LEU A 26 83.480 2.512 -2.654 1.00 0.00 C ATOM 445 C LEU A 26 84.746 2.588 -3.513 1.00 0.00 C ATOM 446 O LEU A 26 85.073 1.680 -4.250 1.00 0.00 O ATOM 447 CB LEU A 26 83.402 1.156 -1.937 1.00 0.00 C ATOM 448 CG LEU A 26 84.737 0.812 -1.268 1.00 0.00 C ATOM 449 CD1 LEU A 26 85.231 2.002 -0.437 1.00 0.00 C ATOM 450 CD2 LEU A 26 84.538 -0.401 -0.354 1.00 0.00 C ATOM 0 H LEU A 26 82.203 1.978 -4.287 1.00 0.00 H new ATOM 0 HA LEU A 26 83.519 3.319 -1.923 1.00 0.00 H new ATOM 0 HB2 LEU A 26 82.611 1.182 -1.187 1.00 0.00 H new ATOM 0 HB3 LEU A 26 83.138 0.377 -2.652 1.00 0.00 H new ATOM 0 HG LEU A 26 85.478 0.584 -2.034 1.00 0.00 H new ATOM 0 HD11 LEU A 26 86.180 1.748 0.034 1.00 0.00 H new ATOM 0 HD12 LEU A 26 85.368 2.867 -1.086 1.00 0.00 H new ATOM 0 HD13 LEU A 26 84.496 2.239 0.332 1.00 0.00 H new ATOM 0 HD21 LEU A 26 85.483 -0.653 0.127 1.00 0.00 H new ATOM 0 HD22 LEU A 26 83.795 -0.165 0.408 1.00 0.00 H new ATOM 0 HD23 LEU A 26 84.194 -1.250 -0.945 1.00 0.00 H new ATOM 462 N GLY A 27 85.457 3.679 -3.404 1.00 0.00 N ATOM 463 CA GLY A 27 86.708 3.872 -4.190 1.00 0.00 C ATOM 464 C GLY A 27 87.906 3.272 -3.457 1.00 0.00 C ATOM 465 O GLY A 27 88.143 3.551 -2.299 1.00 0.00 O ATOM 0 H GLY A 27 85.217 4.458 -2.791 1.00 0.00 H new ATOM 0 HA2 GLY A 27 86.604 3.405 -5.169 1.00 0.00 H new ATOM 0 HA3 GLY A 27 86.875 4.935 -4.361 1.00 0.00 H new ATOM 469 N ILE A 28 88.674 2.458 -4.141 1.00 0.00 N ATOM 470 CA ILE A 28 89.885 1.832 -3.521 1.00 0.00 C ATOM 471 C ILE A 28 91.128 2.385 -4.221 1.00 0.00 C ATOM 472 O ILE A 28 91.340 2.153 -5.395 1.00 0.00 O ATOM 473 CB ILE A 28 89.840 0.308 -3.714 1.00 0.00 C ATOM 474 CG1 ILE A 28 88.484 -0.244 -3.248 1.00 0.00 C ATOM 475 CG2 ILE A 28 90.967 -0.349 -2.910 1.00 0.00 C ATOM 476 CD1 ILE A 28 88.162 0.243 -1.832 1.00 0.00 C ATOM 0 H ILE A 28 88.511 2.198 -5.114 1.00 0.00 H new ATOM 0 HA ILE A 28 89.912 2.059 -2.455 1.00 0.00 H new ATOM 0 HB ILE A 28 89.971 0.082 -4.772 1.00 0.00 H new ATOM 0 HG12 ILE A 28 87.700 0.074 -3.935 1.00 0.00 H new ATOM 0 HG13 ILE A 28 88.502 -1.334 -3.268 1.00 0.00 H new ATOM 0 HG21 ILE A 28 90.931 -1.429 -3.050 1.00 0.00 H new ATOM 0 HG22 ILE A 28 91.929 0.030 -3.255 1.00 0.00 H new ATOM 0 HG23 ILE A 28 90.843 -0.116 -1.852 1.00 0.00 H new ATOM 0 HD11 ILE A 28 87.198 -0.158 -1.520 1.00 0.00 H new ATOM 0 HD12 ILE A 28 88.937 -0.098 -1.145 1.00 0.00 H new ATOM 0 HD13 ILE A 28 88.122 1.332 -1.822 1.00 0.00 H new ATOM 488 N THR A 29 91.951 3.122 -3.518 1.00 0.00 N ATOM 489 CA THR A 29 93.177 3.696 -4.152 1.00 0.00 C ATOM 490 C THR A 29 94.373 2.784 -3.866 1.00 0.00 C ATOM 491 O THR A 29 94.291 1.860 -3.081 1.00 0.00 O ATOM 492 CB THR A 29 93.439 5.096 -3.572 1.00 0.00 C ATOM 493 OG1 THR A 29 92.199 5.761 -3.384 1.00 0.00 O ATOM 494 CG2 THR A 29 94.311 5.911 -4.532 1.00 0.00 C ATOM 0 H THR A 29 91.827 3.351 -2.532 1.00 0.00 H new ATOM 0 HA THR A 29 93.034 3.772 -5.230 1.00 0.00 H new ATOM 0 HB THR A 29 93.958 4.997 -2.619 1.00 0.00 H new ATOM 0 HG1 THR A 29 91.748 5.395 -2.595 1.00 0.00 H new ATOM 0 HG21 THR A 29 94.490 6.900 -4.110 1.00 0.00 H new ATOM 0 HG22 THR A 29 95.264 5.402 -4.679 1.00 0.00 H new ATOM 0 HG23 THR A 29 93.801 6.012 -5.490 1.00 0.00 H new ATOM 502 N LYS A 30 95.483 3.040 -4.499 1.00 0.00 N ATOM 503 CA LYS A 30 96.688 2.196 -4.273 1.00 0.00 C ATOM 504 C LYS A 30 97.378 2.639 -2.985 1.00 0.00 C ATOM 505 O LYS A 30 98.413 2.123 -2.612 1.00 0.00 O ATOM 506 CB LYS A 30 97.644 2.366 -5.459 1.00 0.00 C ATOM 507 CG LYS A 30 97.569 3.813 -5.952 1.00 0.00 C ATOM 508 CD LYS A 30 98.779 4.129 -6.832 1.00 0.00 C ATOM 509 CE LYS A 30 98.621 5.530 -7.431 1.00 0.00 C ATOM 510 NZ LYS A 30 99.956 6.047 -7.844 1.00 0.00 N ATOM 0 H LYS A 30 95.608 3.801 -5.166 1.00 0.00 H new ATOM 0 HA LYS A 30 96.400 1.148 -4.184 1.00 0.00 H new ATOM 0 HB2 LYS A 30 98.663 2.122 -5.160 1.00 0.00 H new ATOM 0 HB3 LYS A 30 97.375 1.680 -6.262 1.00 0.00 H new ATOM 0 HG2 LYS A 30 96.649 3.967 -6.516 1.00 0.00 H new ATOM 0 HG3 LYS A 30 97.539 4.494 -5.102 1.00 0.00 H new ATOM 0 HD2 LYS A 30 99.695 4.074 -6.243 1.00 0.00 H new ATOM 0 HD3 LYS A 30 98.867 3.389 -7.628 1.00 0.00 H new ATOM 0 HE2 LYS A 30 97.951 5.496 -8.290 1.00 0.00 H new ATOM 0 HE3 LYS A 30 98.170 6.201 -6.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 99.849 6.998 -8.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 100.582 6.093 -7.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 100.370 5.411 -8.555 1.00 0.00 H new ATOM 524 N GLU A 31 96.814 3.598 -2.306 1.00 0.00 N ATOM 525 CA GLU A 31 97.434 4.089 -1.044 1.00 0.00 C ATOM 526 C GLU A 31 96.344 4.497 -0.056 1.00 0.00 C ATOM 527 O GLU A 31 96.625 5.018 1.005 1.00 0.00 O ATOM 528 CB GLU A 31 98.307 5.300 -1.363 1.00 0.00 C ATOM 529 CG GLU A 31 99.425 4.885 -2.313 1.00 0.00 C ATOM 530 CD GLU A 31 100.516 5.958 -2.332 1.00 0.00 C ATOM 531 OE1 GLU A 31 100.926 6.378 -1.263 1.00 0.00 O ATOM 532 OE2 GLU A 31 100.923 6.342 -3.417 1.00 0.00 O ATOM 0 H GLU A 31 95.947 4.065 -2.572 1.00 0.00 H new ATOM 0 HA GLU A 31 98.039 3.298 -0.601 1.00 0.00 H new ATOM 0 HB2 GLU A 31 97.704 6.087 -1.816 1.00 0.00 H new ATOM 0 HB3 GLU A 31 98.729 5.710 -0.445 1.00 0.00 H new ATOM 0 HG2 GLU A 31 99.847 3.931 -1.998 1.00 0.00 H new ATOM 0 HG3 GLU A 31 99.026 4.741 -3.317 1.00 0.00 H new ATOM 539 N CYS A 32 95.100 4.272 -0.384 1.00 0.00 N ATOM 540 CA CYS A 32 94.021 4.667 0.565 1.00 0.00 C ATOM 541 C CYS A 32 92.654 4.170 0.074 1.00 0.00 C ATOM 542 O CYS A 32 92.456 3.885 -1.090 1.00 0.00 O ATOM 543 CB CYS A 32 94.001 6.208 0.688 1.00 0.00 C ATOM 544 SG CYS A 32 94.706 6.949 -0.807 1.00 0.00 S ATOM 0 H CYS A 32 94.788 3.839 -1.253 1.00 0.00 H new ATOM 0 HA CYS A 32 94.220 4.215 1.537 1.00 0.00 H new ATOM 0 HB2 CYS A 32 92.979 6.558 0.831 1.00 0.00 H new ATOM 0 HB3 CYS A 32 94.570 6.520 1.563 1.00 0.00 H new ATOM 0 HG CYS A 32 94.685 8.244 -0.700 1.00 0.00 H new ATOM 550 N VAL A 33 91.703 4.104 0.975 1.00 0.00 N ATOM 551 CA VAL A 33 90.315 3.673 0.619 1.00 0.00 C ATOM 552 C VAL A 33 89.402 4.867 0.878 1.00 0.00 C ATOM 553 O VAL A 33 89.663 5.651 1.768 1.00 0.00 O ATOM 554 CB VAL A 33 89.893 2.499 1.509 1.00 0.00 C ATOM 555 CG1 VAL A 33 88.424 2.159 1.247 1.00 0.00 C ATOM 556 CG2 VAL A 33 90.767 1.281 1.199 1.00 0.00 C ATOM 0 H VAL A 33 91.834 4.335 1.960 1.00 0.00 H new ATOM 0 HA VAL A 33 90.259 3.352 -0.421 1.00 0.00 H new ATOM 0 HB VAL A 33 90.018 2.775 2.556 1.00 0.00 H new ATOM 0 HG11 VAL A 33 88.125 1.324 1.881 1.00 0.00 H new ATOM 0 HG12 VAL A 33 87.804 3.026 1.473 1.00 0.00 H new ATOM 0 HG13 VAL A 33 88.295 1.884 0.200 1.00 0.00 H new ATOM 0 HG21 VAL A 33 90.466 0.447 1.832 1.00 0.00 H new ATOM 0 HG22 VAL A 33 90.646 1.004 0.152 1.00 0.00 H new ATOM 0 HG23 VAL A 33 91.812 1.524 1.392 1.00 0.00 H new ATOM 566 N MET A 34 88.355 5.049 0.107 1.00 0.00 N ATOM 567 CA MET A 34 87.476 6.242 0.335 1.00 0.00 C ATOM 568 C MET A 34 86.009 5.880 0.196 1.00 0.00 C ATOM 569 O MET A 34 85.635 4.987 -0.535 1.00 0.00 O ATOM 570 CB MET A 34 87.833 7.329 -0.689 1.00 0.00 C ATOM 571 CG MET A 34 88.182 6.678 -2.033 1.00 0.00 C ATOM 572 SD MET A 34 89.902 6.119 -2.001 1.00 0.00 S ATOM 573 CE MET A 34 90.656 7.683 -2.512 1.00 0.00 C ATOM 0 H MET A 34 88.074 4.435 -0.658 1.00 0.00 H new ATOM 0 HA MET A 34 87.641 6.606 1.349 1.00 0.00 H new ATOM 0 HB2 MET A 34 86.995 8.015 -0.813 1.00 0.00 H new ATOM 0 HB3 MET A 34 88.677 7.918 -0.329 1.00 0.00 H new ATOM 0 HG2 MET A 34 87.518 5.835 -2.225 1.00 0.00 H new ATOM 0 HG3 MET A 34 88.035 7.391 -2.844 1.00 0.00 H new ATOM 0 HE1 MET A 34 91.658 7.759 -2.090 1.00 0.00 H new ATOM 0 HE2 MET A 34 90.717 7.719 -3.600 1.00 0.00 H new ATOM 0 HE3 MET A 34 90.048 8.514 -2.155 1.00 0.00 H new ATOM 583 N ARG A 35 85.169 6.603 0.885 1.00 0.00 N ATOM 584 CA ARG A 35 83.707 6.334 0.783 1.00 0.00 C ATOM 585 C ARG A 35 83.162 7.224 -0.321 1.00 0.00 C ATOM 586 O ARG A 35 83.452 8.403 -0.376 1.00 0.00 O ATOM 587 CB ARG A 35 82.998 6.707 2.092 1.00 0.00 C ATOM 588 CG ARG A 35 83.154 5.593 3.137 1.00 0.00 C ATOM 589 CD ARG A 35 82.108 5.784 4.244 1.00 0.00 C ATOM 590 NE ARG A 35 81.861 7.239 4.448 1.00 0.00 N ATOM 591 CZ ARG A 35 80.828 7.633 5.141 1.00 0.00 C ATOM 592 NH1 ARG A 35 80.009 6.753 5.648 1.00 0.00 N ATOM 593 NH2 ARG A 35 80.616 8.907 5.330 1.00 0.00 N ATOM 0 H ARG A 35 85.430 7.365 1.511 1.00 0.00 H new ATOM 0 HA ARG A 35 83.539 5.277 0.579 1.00 0.00 H new ATOM 0 HB2 ARG A 35 83.412 7.637 2.482 1.00 0.00 H new ATOM 0 HB3 ARG A 35 81.940 6.885 1.899 1.00 0.00 H new ATOM 0 HG2 ARG A 35 83.028 4.618 2.667 1.00 0.00 H new ATOM 0 HG3 ARG A 35 84.158 5.615 3.562 1.00 0.00 H new ATOM 0 HD2 ARG A 35 81.180 5.281 3.973 1.00 0.00 H new ATOM 0 HD3 ARG A 35 82.457 5.330 5.171 1.00 0.00 H new ATOM 0 HE ARG A 35 82.499 7.926 4.046 1.00 0.00 H new ATOM 0 HH11 ARG A 35 80.176 5.757 5.503 1.00 0.00 H new ATOM 0 HH12 ARG A 35 79.201 7.061 6.190 1.00 0.00 H new ATOM 0 HH21 ARG A 35 81.258 9.595 4.936 1.00 0.00 H new ATOM 0 HH22 ARG A 35 79.808 9.215 5.872 1.00 0.00 H new ATOM 607 N VAL A 36 82.380 6.669 -1.204 1.00 0.00 N ATOM 608 CA VAL A 36 81.809 7.470 -2.318 1.00 0.00 C ATOM 609 C VAL A 36 80.304 7.227 -2.363 1.00 0.00 C ATOM 610 O VAL A 36 79.846 6.113 -2.516 1.00 0.00 O ATOM 611 CB VAL A 36 82.464 7.035 -3.632 1.00 0.00 C ATOM 612 CG1 VAL A 36 81.968 7.920 -4.779 1.00 0.00 C ATOM 613 CG2 VAL A 36 83.983 7.174 -3.509 1.00 0.00 C ATOM 0 H VAL A 36 82.111 5.685 -1.200 1.00 0.00 H new ATOM 0 HA VAL A 36 81.998 8.533 -2.169 1.00 0.00 H new ATOM 0 HB VAL A 36 82.202 5.997 -3.838 1.00 0.00 H new ATOM 0 HG11 VAL A 36 82.438 7.605 -5.711 1.00 0.00 H new ATOM 0 HG12 VAL A 36 80.886 7.827 -4.869 1.00 0.00 H new ATOM 0 HG13 VAL A 36 82.227 8.959 -4.575 1.00 0.00 H new ATOM 0 HG21 VAL A 36 84.453 6.865 -4.443 1.00 0.00 H new ATOM 0 HG22 VAL A 36 84.238 8.213 -3.301 1.00 0.00 H new ATOM 0 HG23 VAL A 36 84.341 6.543 -2.696 1.00 0.00 H new ATOM 623 N ASP A 37 79.528 8.262 -2.212 1.00 0.00 N ATOM 624 CA ASP A 37 78.053 8.089 -2.234 1.00 0.00 C ATOM 625 C ASP A 37 77.613 7.718 -3.643 1.00 0.00 C ATOM 626 O ASP A 37 78.189 8.148 -4.616 1.00 0.00 O ATOM 627 CB ASP A 37 77.378 9.398 -1.819 1.00 0.00 C ATOM 628 CG ASP A 37 75.900 9.140 -1.521 1.00 0.00 C ATOM 629 OD1 ASP A 37 75.315 8.312 -2.199 1.00 0.00 O ATOM 630 OD2 ASP A 37 75.378 9.776 -0.620 1.00 0.00 O ATOM 0 H ASP A 37 79.852 9.219 -2.074 1.00 0.00 H new ATOM 0 HA ASP A 37 77.768 7.299 -1.540 1.00 0.00 H new ATOM 0 HB2 ASP A 37 77.871 9.810 -0.938 1.00 0.00 H new ATOM 0 HB3 ASP A 37 77.476 10.137 -2.614 1.00 0.00 H new ATOM 635 N GLU A 38 76.586 6.934 -3.756 1.00 0.00 N ATOM 636 CA GLU A 38 76.082 6.539 -5.097 1.00 0.00 C ATOM 637 C GLU A 38 75.052 7.574 -5.506 1.00 0.00 C ATOM 638 O GLU A 38 74.724 7.754 -6.662 1.00 0.00 O ATOM 639 CB GLU A 38 75.434 5.166 -4.972 1.00 0.00 C ATOM 640 CG GLU A 38 75.261 4.515 -6.344 1.00 0.00 C ATOM 641 CD GLU A 38 74.135 5.213 -7.108 1.00 0.00 C ATOM 642 OE1 GLU A 38 73.229 5.713 -6.463 1.00 0.00 O ATOM 643 OE2 GLU A 38 74.199 5.236 -8.327 1.00 0.00 O ATOM 0 H GLU A 38 76.067 6.544 -2.969 1.00 0.00 H new ATOM 0 HA GLU A 38 76.878 6.490 -5.840 1.00 0.00 H new ATOM 0 HB2 GLU A 38 76.047 4.527 -4.337 1.00 0.00 H new ATOM 0 HB3 GLU A 38 74.463 5.261 -4.486 1.00 0.00 H new ATOM 0 HG2 GLU A 38 76.191 4.581 -6.908 1.00 0.00 H new ATOM 0 HG3 GLU A 38 75.033 3.456 -6.228 1.00 0.00 H new ATOM 650 N LYS A 39 74.554 8.252 -4.526 1.00 0.00 N ATOM 651 CA LYS A 39 73.543 9.302 -4.747 1.00 0.00 C ATOM 652 C LYS A 39 74.214 10.532 -5.349 1.00 0.00 C ATOM 653 O LYS A 39 73.806 11.038 -6.376 1.00 0.00 O ATOM 654 CB LYS A 39 72.945 9.661 -3.394 1.00 0.00 C ATOM 655 CG LYS A 39 71.861 10.726 -3.566 1.00 0.00 C ATOM 656 CD LYS A 39 71.244 11.044 -2.203 1.00 0.00 C ATOM 657 CE LYS A 39 70.244 12.194 -2.345 1.00 0.00 C ATOM 658 NZ LYS A 39 70.983 13.480 -2.499 1.00 0.00 N ATOM 0 H LYS A 39 74.815 8.117 -3.549 1.00 0.00 H new ATOM 0 HA LYS A 39 72.767 8.953 -5.428 1.00 0.00 H new ATOM 0 HB2 LYS A 39 72.522 8.772 -2.927 1.00 0.00 H new ATOM 0 HB3 LYS A 39 73.726 10.029 -2.729 1.00 0.00 H new ATOM 0 HG2 LYS A 39 72.288 11.628 -4.004 1.00 0.00 H new ATOM 0 HG3 LYS A 39 71.092 10.371 -4.252 1.00 0.00 H new ATOM 0 HD2 LYS A 39 70.744 10.161 -1.805 1.00 0.00 H new ATOM 0 HD3 LYS A 39 72.026 11.315 -1.493 1.00 0.00 H new ATOM 0 HE2 LYS A 39 69.601 12.026 -3.209 1.00 0.00 H new ATOM 0 HE3 LYS A 39 69.596 12.237 -1.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 70.325 14.276 -2.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 71.734 13.537 -1.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 71.406 13.526 -3.448 1.00 0.00 H new ATOM 672 N THR A 40 75.239 11.019 -4.706 1.00 0.00 N ATOM 673 CA THR A 40 75.951 12.229 -5.217 1.00 0.00 C ATOM 674 C THR A 40 77.215 11.816 -5.973 1.00 0.00 C ATOM 675 O THR A 40 77.914 12.650 -6.513 1.00 0.00 O ATOM 676 CB THR A 40 76.338 13.126 -4.039 1.00 0.00 C ATOM 677 OG1 THR A 40 77.126 12.386 -3.118 1.00 0.00 O ATOM 678 CG2 THR A 40 75.073 13.629 -3.345 1.00 0.00 C ATOM 0 H THR A 40 75.618 10.630 -3.843 1.00 0.00 H new ATOM 0 HA THR A 40 75.290 12.770 -5.894 1.00 0.00 H new ATOM 0 HB THR A 40 76.913 13.977 -4.403 1.00 0.00 H new ATOM 0 HG1 THR A 40 77.375 12.961 -2.365 1.00 0.00 H new ATOM 0 HG21 THR A 40 75.348 14.268 -2.506 1.00 0.00 H new ATOM 0 HG22 THR A 40 74.472 14.199 -4.053 1.00 0.00 H new ATOM 0 HG23 THR A 40 74.496 12.779 -2.980 1.00 0.00 H new ATOM 686 N LYS A 41 77.526 10.545 -6.026 1.00 0.00 N ATOM 687 CA LYS A 41 78.755 10.127 -6.760 1.00 0.00 C ATOM 688 C LYS A 41 79.939 10.978 -6.293 1.00 0.00 C ATOM 689 O LYS A 41 80.885 11.195 -7.025 1.00 0.00 O ATOM 690 CB LYS A 41 78.536 10.332 -8.263 1.00 0.00 C ATOM 691 CG LYS A 41 77.426 9.394 -8.758 1.00 0.00 C ATOM 692 CD LYS A 41 76.830 9.937 -10.062 1.00 0.00 C ATOM 693 CE LYS A 41 77.946 10.217 -11.078 1.00 0.00 C ATOM 694 NZ LYS A 41 78.524 11.567 -10.821 1.00 0.00 N ATOM 0 H LYS A 41 76.990 9.790 -5.599 1.00 0.00 H new ATOM 0 HA LYS A 41 78.965 9.076 -6.561 1.00 0.00 H new ATOM 0 HB2 LYS A 41 78.265 11.369 -8.462 1.00 0.00 H new ATOM 0 HB3 LYS A 41 79.461 10.134 -8.805 1.00 0.00 H new ATOM 0 HG2 LYS A 41 77.828 8.394 -8.920 1.00 0.00 H new ATOM 0 HG3 LYS A 41 76.647 9.306 -8.001 1.00 0.00 H new ATOM 0 HD2 LYS A 41 76.124 9.217 -10.475 1.00 0.00 H new ATOM 0 HD3 LYS A 41 76.272 10.852 -9.862 1.00 0.00 H new ATOM 0 HE2 LYS A 41 78.723 9.456 -11.000 1.00 0.00 H new ATOM 0 HE3 LYS A 41 77.550 10.166 -12.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 78.666 12.062 -11.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 77.872 12.116 -10.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 79.438 11.467 -10.334 1.00 0.00 H new ATOM 708 N GLU A 42 79.887 11.467 -5.075 1.00 0.00 N ATOM 709 CA GLU A 42 81.002 12.317 -4.538 1.00 0.00 C ATOM 710 C GLU A 42 81.779 11.524 -3.481 1.00 0.00 C ATOM 711 O GLU A 42 81.304 10.538 -2.964 1.00 0.00 O ATOM 712 CB GLU A 42 80.398 13.593 -3.908 1.00 0.00 C ATOM 713 CG GLU A 42 80.941 14.845 -4.603 1.00 0.00 C ATOM 714 CD GLU A 42 80.418 14.902 -6.040 1.00 0.00 C ATOM 715 OE1 GLU A 42 79.348 15.453 -6.238 1.00 0.00 O ATOM 716 OE2 GLU A 42 81.097 14.393 -6.916 1.00 0.00 O ATOM 0 H GLU A 42 79.116 11.313 -4.425 1.00 0.00 H new ATOM 0 HA GLU A 42 81.683 12.597 -5.342 1.00 0.00 H new ATOM 0 HB2 GLU A 42 79.311 13.567 -3.991 1.00 0.00 H new ATOM 0 HB3 GLU A 42 80.636 13.628 -2.845 1.00 0.00 H new ATOM 0 HG2 GLU A 42 80.634 15.738 -4.058 1.00 0.00 H new ATOM 0 HG3 GLU A 42 82.031 14.830 -4.602 1.00 0.00 H new ATOM 723 N VAL A 43 82.964 11.965 -3.152 1.00 0.00 N ATOM 724 CA VAL A 43 83.779 11.253 -2.122 1.00 0.00 C ATOM 725 C VAL A 43 83.332 11.705 -0.732 1.00 0.00 C ATOM 726 O VAL A 43 83.313 12.883 -0.432 1.00 0.00 O ATOM 727 CB VAL A 43 85.262 11.585 -2.326 1.00 0.00 C ATOM 728 CG1 VAL A 43 86.084 11.040 -1.155 1.00 0.00 C ATOM 729 CG2 VAL A 43 85.751 10.943 -3.626 1.00 0.00 C ATOM 0 H VAL A 43 83.406 12.792 -3.554 1.00 0.00 H new ATOM 0 HA VAL A 43 83.638 10.176 -2.217 1.00 0.00 H new ATOM 0 HB VAL A 43 85.383 12.667 -2.379 1.00 0.00 H new ATOM 0 HG11 VAL A 43 87.136 11.279 -1.307 1.00 0.00 H new ATOM 0 HG12 VAL A 43 85.739 11.494 -0.226 1.00 0.00 H new ATOM 0 HG13 VAL A 43 85.963 9.958 -1.098 1.00 0.00 H new ATOM 0 HG21 VAL A 43 86.805 11.178 -3.774 1.00 0.00 H new ATOM 0 HG22 VAL A 43 85.624 9.862 -3.568 1.00 0.00 H new ATOM 0 HG23 VAL A 43 85.172 11.332 -4.464 1.00 0.00 H new ATOM 739 N ILE A 44 82.957 10.778 0.115 1.00 0.00 N ATOM 740 CA ILE A 44 82.491 11.146 1.485 1.00 0.00 C ATOM 741 C ILE A 44 83.592 10.890 2.518 1.00 0.00 C ATOM 742 O ILE A 44 83.623 11.514 3.560 1.00 0.00 O ATOM 743 CB ILE A 44 81.265 10.306 1.838 1.00 0.00 C ATOM 744 CG1 ILE A 44 80.273 10.325 0.668 1.00 0.00 C ATOM 745 CG2 ILE A 44 80.599 10.883 3.087 1.00 0.00 C ATOM 746 CD1 ILE A 44 79.976 11.769 0.246 1.00 0.00 C ATOM 0 H ILE A 44 82.954 9.778 -0.086 1.00 0.00 H new ATOM 0 HA ILE A 44 82.240 12.207 1.498 1.00 0.00 H new ATOM 0 HB ILE A 44 81.571 9.278 2.031 1.00 0.00 H new ATOM 0 HG12 ILE A 44 80.684 9.770 -0.175 1.00 0.00 H new ATOM 0 HG13 ILE A 44 79.348 9.826 0.958 1.00 0.00 H new ATOM 0 HG21 ILE A 44 79.724 10.286 3.341 1.00 0.00 H new ATOM 0 HG22 ILE A 44 81.305 10.864 3.917 1.00 0.00 H new ATOM 0 HG23 ILE A 44 80.293 11.911 2.894 1.00 0.00 H new ATOM 0 HD11 ILE A 44 79.271 11.767 -0.585 1.00 0.00 H new ATOM 0 HD12 ILE A 44 79.545 12.312 1.087 1.00 0.00 H new ATOM 0 HD13 ILE A 44 80.901 12.255 -0.064 1.00 0.00 H new ATOM 758 N GLN A 45 84.492 9.974 2.259 1.00 0.00 N ATOM 759 CA GLN A 45 85.570 9.697 3.264 1.00 0.00 C ATOM 760 C GLN A 45 86.859 9.224 2.571 1.00 0.00 C ATOM 761 O GLN A 45 86.872 8.855 1.414 1.00 0.00 O ATOM 762 CB GLN A 45 85.082 8.615 4.246 1.00 0.00 C ATOM 763 CG GLN A 45 85.796 8.743 5.601 1.00 0.00 C ATOM 764 CD GLN A 45 85.115 9.815 6.451 1.00 0.00 C ATOM 765 OE1 GLN A 45 85.221 9.810 7.662 1.00 0.00 O ATOM 766 NE2 GLN A 45 84.415 10.740 5.862 1.00 0.00 N ATOM 0 H GLN A 45 84.530 9.412 1.409 1.00 0.00 H new ATOM 0 HA GLN A 45 85.790 10.618 3.803 1.00 0.00 H new ATOM 0 HB2 GLN A 45 84.005 8.706 4.388 1.00 0.00 H new ATOM 0 HB3 GLN A 45 85.266 7.626 3.825 1.00 0.00 H new ATOM 0 HG2 GLN A 45 85.777 7.786 6.123 1.00 0.00 H new ATOM 0 HG3 GLN A 45 86.844 9.001 5.446 1.00 0.00 H new ATOM 0 HE21 GLN A 45 84.327 10.743 4.846 1.00 0.00 H new ATOM 0 HE22 GLN A 45 83.955 11.462 6.416 1.00 0.00 H new ATOM 775 N GLU A 46 87.935 9.242 3.307 1.00 0.00 N ATOM 776 CA GLU A 46 89.268 8.809 2.788 1.00 0.00 C ATOM 777 C GLU A 46 89.999 8.062 3.915 1.00 0.00 C ATOM 778 O GLU A 46 89.965 8.469 5.059 1.00 0.00 O ATOM 779 CB GLU A 46 90.077 10.050 2.364 1.00 0.00 C ATOM 780 CG GLU A 46 89.813 10.366 0.888 1.00 0.00 C ATOM 781 CD GLU A 46 90.520 11.668 0.508 1.00 0.00 C ATOM 782 OE1 GLU A 46 90.472 12.597 1.297 1.00 0.00 O ATOM 783 OE2 GLU A 46 91.096 11.714 -0.567 1.00 0.00 O ATOM 0 H GLU A 46 87.948 9.549 4.280 1.00 0.00 H new ATOM 0 HA GLU A 46 89.151 8.155 1.924 1.00 0.00 H new ATOM 0 HB2 GLU A 46 89.801 10.904 2.983 1.00 0.00 H new ATOM 0 HB3 GLU A 46 91.141 9.873 2.522 1.00 0.00 H new ATOM 0 HG2 GLU A 46 90.171 9.549 0.261 1.00 0.00 H new ATOM 0 HG3 GLU A 46 88.741 10.457 0.711 1.00 0.00 H new ATOM 790 N TRP A 47 90.656 6.972 3.602 1.00 0.00 N ATOM 791 CA TRP A 47 91.387 6.194 4.654 1.00 0.00 C ATOM 792 C TRP A 47 92.726 5.723 4.097 1.00 0.00 C ATOM 793 O TRP A 47 92.877 5.535 2.914 1.00 0.00 O ATOM 794 CB TRP A 47 90.582 4.955 5.054 1.00 0.00 C ATOM 795 CG TRP A 47 89.356 5.321 5.837 1.00 0.00 C ATOM 796 CD1 TRP A 47 89.304 6.185 6.883 1.00 0.00 C ATOM 797 CD2 TRP A 47 88.002 4.816 5.661 1.00 0.00 C ATOM 798 NE1 TRP A 47 88.001 6.242 7.347 1.00 0.00 N ATOM 799 CE2 TRP A 47 87.165 5.417 6.628 1.00 0.00 C ATOM 800 CE3 TRP A 47 87.426 3.903 4.759 1.00 0.00 C ATOM 801 CZ2 TRP A 47 85.805 5.123 6.701 1.00 0.00 C ATOM 802 CZ3 TRP A 47 86.057 3.603 4.831 1.00 0.00 C ATOM 803 CH2 TRP A 47 85.248 4.211 5.800 1.00 0.00 C ATOM 0 H TRP A 47 90.718 6.585 2.660 1.00 0.00 H new ATOM 0 HA TRP A 47 91.533 6.839 5.521 1.00 0.00 H new ATOM 0 HB2 TRP A 47 90.292 4.405 4.159 1.00 0.00 H new ATOM 0 HB3 TRP A 47 91.209 4.290 5.648 1.00 0.00 H new ATOM 0 HD1 TRP A 47 90.141 6.736 7.286 1.00 0.00 H new ATOM 0 HE1 TRP A 47 87.697 6.825 8.127 1.00 0.00 H new ATOM 0 HE3 TRP A 47 88.041 3.430 4.007 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 85.186 5.596 7.448 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 85.624 2.899 4.135 1.00 0.00 H new ATOM 0 HH2 TRP A 47 84.195 3.975 5.851 1.00 0.00 H new ATOM 814 N SER A 48 93.691 5.505 4.947 1.00 0.00 N ATOM 815 CA SER A 48 95.018 5.019 4.467 1.00 0.00 C ATOM 816 C SER A 48 94.995 3.489 4.406 1.00 0.00 C ATOM 817 O SER A 48 94.389 2.836 5.233 1.00 0.00 O ATOM 818 CB SER A 48 96.108 5.481 5.431 1.00 0.00 C ATOM 819 OG SER A 48 96.372 6.861 5.212 1.00 0.00 O ATOM 0 H SER A 48 93.619 5.642 5.955 1.00 0.00 H new ATOM 0 HA SER A 48 95.225 5.422 3.475 1.00 0.00 H new ATOM 0 HB2 SER A 48 95.792 5.318 6.461 1.00 0.00 H new ATOM 0 HB3 SER A 48 97.015 4.896 5.280 1.00 0.00 H new ATOM 0 HG SER A 48 97.070 7.163 5.830 1.00 0.00 H new ATOM 825 N LEU A 49 95.645 2.909 3.433 1.00 0.00 N ATOM 826 CA LEU A 49 95.649 1.423 3.325 1.00 0.00 C ATOM 827 C LEU A 49 96.400 0.836 4.528 1.00 0.00 C ATOM 828 O LEU A 49 96.200 -0.302 4.902 1.00 0.00 O ATOM 829 CB LEU A 49 96.341 1.012 2.002 1.00 0.00 C ATOM 830 CG LEU A 49 95.289 0.679 0.924 1.00 0.00 C ATOM 831 CD1 LEU A 49 95.907 0.819 -0.471 1.00 0.00 C ATOM 832 CD2 LEU A 49 94.791 -0.760 1.112 1.00 0.00 C ATOM 0 H LEU A 49 96.172 3.399 2.710 1.00 0.00 H new ATOM 0 HA LEU A 49 94.628 1.041 3.323 1.00 0.00 H new ATOM 0 HB2 LEU A 49 96.984 1.821 1.654 1.00 0.00 H new ATOM 0 HB3 LEU A 49 96.982 0.147 2.173 1.00 0.00 H new ATOM 0 HG LEU A 49 94.453 1.372 1.022 1.00 0.00 H new ATOM 0 HD11 LEU A 49 95.158 0.582 -1.226 1.00 0.00 H new ATOM 0 HD12 LEU A 49 96.255 1.842 -0.614 1.00 0.00 H new ATOM 0 HD13 LEU A 49 96.748 0.133 -0.567 1.00 0.00 H new ATOM 0 HD21 LEU A 49 94.048 -0.991 0.348 1.00 0.00 H new ATOM 0 HD22 LEU A 49 95.630 -1.450 1.022 1.00 0.00 H new ATOM 0 HD23 LEU A 49 94.341 -0.863 2.099 1.00 0.00 H new ATOM 844 N THR A 50 97.263 1.606 5.132 1.00 0.00 N ATOM 845 CA THR A 50 98.026 1.097 6.303 1.00 0.00 C ATOM 846 C THR A 50 97.151 1.161 7.557 1.00 0.00 C ATOM 847 O THR A 50 97.547 0.737 8.624 1.00 0.00 O ATOM 848 CB THR A 50 99.275 1.958 6.509 1.00 0.00 C ATOM 849 OG1 THR A 50 98.885 3.304 6.748 1.00 0.00 O ATOM 850 CG2 THR A 50 100.152 1.893 5.258 1.00 0.00 C ATOM 0 H THR A 50 97.472 2.568 4.863 1.00 0.00 H new ATOM 0 HA THR A 50 98.320 0.063 6.121 1.00 0.00 H new ATOM 0 HB THR A 50 99.838 1.585 7.364 1.00 0.00 H new ATOM 0 HG1 THR A 50 99.683 3.857 6.882 1.00 0.00 H new ATOM 0 HG21 THR A 50 101.041 2.506 5.405 1.00 0.00 H new ATOM 0 HG22 THR A 50 100.449 0.860 5.075 1.00 0.00 H new ATOM 0 HG23 THR A 50 99.591 2.266 4.401 1.00 0.00 H new ATOM 858 N ASN A 51 95.963 1.693 7.438 1.00 0.00 N ATOM 859 CA ASN A 51 95.059 1.791 8.625 1.00 0.00 C ATOM 860 C ASN A 51 94.182 0.540 8.717 1.00 0.00 C ATOM 861 O ASN A 51 93.634 0.230 9.756 1.00 0.00 O ATOM 862 CB ASN A 51 94.165 3.026 8.482 1.00 0.00 C ATOM 863 CG ASN A 51 95.000 4.289 8.701 1.00 0.00 C ATOM 864 OD1 ASN A 51 94.465 5.375 8.805 1.00 0.00 O ATOM 865 ND2 ASN A 51 96.299 4.192 8.777 1.00 0.00 N ATOM 0 H ASN A 51 95.578 2.065 6.570 1.00 0.00 H new ATOM 0 HA ASN A 51 95.662 1.874 9.529 1.00 0.00 H new ATOM 0 HB2 ASN A 51 93.710 3.046 7.492 1.00 0.00 H new ATOM 0 HB3 ASN A 51 93.352 2.985 9.206 1.00 0.00 H new ATOM 0 HD21 ASN A 51 96.865 5.028 8.924 1.00 0.00 H new ATOM 0 HD22 ASN A 51 96.748 3.280 8.690 1.00 0.00 H new ATOM 872 N ILE A 52 94.039 -0.179 7.638 1.00 0.00 N ATOM 873 CA ILE A 52 93.190 -1.405 7.666 1.00 0.00 C ATOM 874 C ILE A 52 93.950 -2.547 8.345 1.00 0.00 C ATOM 875 O ILE A 52 95.052 -2.887 7.963 1.00 0.00 O ATOM 876 CB ILE A 52 92.840 -1.810 6.233 1.00 0.00 C ATOM 877 CG1 ILE A 52 92.010 -0.702 5.579 1.00 0.00 C ATOM 878 CG2 ILE A 52 92.032 -3.109 6.253 1.00 0.00 C ATOM 879 CD1 ILE A 52 91.873 -0.979 4.081 1.00 0.00 C ATOM 0 H ILE A 52 94.473 0.029 6.738 1.00 0.00 H new ATOM 0 HA ILE A 52 92.277 -1.199 8.225 1.00 0.00 H new ATOM 0 HB ILE A 52 93.757 -1.962 5.663 1.00 0.00 H new ATOM 0 HG12 ILE A 52 91.024 -0.651 6.041 1.00 0.00 H new ATOM 0 HG13 ILE A 52 92.487 0.265 5.738 1.00 0.00 H new ATOM 0 HG21 ILE A 52 91.782 -3.398 5.232 1.00 0.00 H new ATOM 0 HG22 ILE A 52 92.623 -3.898 6.719 1.00 0.00 H new ATOM 0 HG23 ILE A 52 91.115 -2.958 6.822 1.00 0.00 H new ATOM 0 HD11 ILE A 52 91.282 -0.189 3.618 1.00 0.00 H new ATOM 0 HD12 ILE A 52 92.862 -1.007 3.624 1.00 0.00 H new ATOM 0 HD13 ILE A 52 91.377 -1.938 3.932 1.00 0.00 H new ATOM 891 N LYS A 53 93.365 -3.148 9.349 1.00 0.00 N ATOM 892 CA LYS A 53 94.046 -4.275 10.052 1.00 0.00 C ATOM 893 C LYS A 53 93.672 -5.593 9.371 1.00 0.00 C ATOM 894 O LYS A 53 94.523 -6.379 9.005 1.00 0.00 O ATOM 895 CB LYS A 53 93.585 -4.312 11.512 1.00 0.00 C ATOM 896 CG LYS A 53 94.435 -5.316 12.303 1.00 0.00 C ATOM 897 CD LYS A 53 93.707 -5.708 13.594 1.00 0.00 C ATOM 898 CE LYS A 53 94.508 -6.787 14.330 1.00 0.00 C ATOM 899 NZ LYS A 53 95.654 -6.155 15.042 1.00 0.00 N ATOM 0 H LYS A 53 92.443 -2.906 9.713 1.00 0.00 H new ATOM 0 HA LYS A 53 95.126 -4.134 10.012 1.00 0.00 H new ATOM 0 HB2 LYS A 53 93.672 -3.320 11.955 1.00 0.00 H new ATOM 0 HB3 LYS A 53 92.533 -4.593 11.563 1.00 0.00 H new ATOM 0 HG2 LYS A 53 94.624 -6.203 11.698 1.00 0.00 H new ATOM 0 HG3 LYS A 53 95.405 -4.878 12.540 1.00 0.00 H new ATOM 0 HD2 LYS A 53 93.583 -4.834 14.233 1.00 0.00 H new ATOM 0 HD3 LYS A 53 92.708 -6.077 13.362 1.00 0.00 H new ATOM 0 HE2 LYS A 53 93.868 -7.309 15.041 1.00 0.00 H new ATOM 0 HE3 LYS A 53 94.872 -7.532 13.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 96.198 -6.887 15.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 96.269 -5.676 14.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 95.296 -5.461 15.728 1.00 0.00 H new ATOM 913 N ARG A 54 92.401 -5.836 9.194 1.00 0.00 N ATOM 914 CA ARG A 54 91.960 -7.099 8.531 1.00 0.00 C ATOM 915 C ARG A 54 90.576 -6.894 7.919 1.00 0.00 C ATOM 916 O ARG A 54 89.875 -5.953 8.238 1.00 0.00 O ATOM 917 CB ARG A 54 91.924 -8.273 9.538 1.00 0.00 C ATOM 918 CG ARG A 54 91.348 -7.840 10.919 1.00 0.00 C ATOM 919 CD ARG A 54 89.954 -8.446 11.149 1.00 0.00 C ATOM 920 NE ARG A 54 89.407 -7.893 12.424 1.00 0.00 N ATOM 921 CZ ARG A 54 88.183 -8.155 12.791 1.00 0.00 C ATOM 922 NH1 ARG A 54 87.447 -8.958 12.078 1.00 0.00 N ATOM 923 NH2 ARG A 54 87.701 -7.625 13.882 1.00 0.00 N ATOM 0 H ARG A 54 91.646 -5.213 9.481 1.00 0.00 H new ATOM 0 HA ARG A 54 92.676 -7.349 7.748 1.00 0.00 H new ATOM 0 HB2 ARG A 54 91.318 -9.082 9.130 1.00 0.00 H new ATOM 0 HB3 ARG A 54 92.932 -8.666 9.673 1.00 0.00 H new ATOM 0 HG2 ARG A 54 92.022 -8.158 11.714 1.00 0.00 H new ATOM 0 HG3 ARG A 54 91.288 -6.753 10.967 1.00 0.00 H new ATOM 0 HD2 ARG A 54 89.293 -8.205 10.316 1.00 0.00 H new ATOM 0 HD3 ARG A 54 90.017 -9.533 11.202 1.00 0.00 H new ATOM 0 HE ARG A 54 89.996 -7.305 13.013 1.00 0.00 H new ATOM 0 HH11 ARG A 54 87.827 -9.382 11.232 1.00 0.00 H new ATOM 0 HH12 ARG A 54 86.490 -9.163 12.365 1.00 0.00 H new ATOM 0 HH21 ARG A 54 88.281 -7.006 14.448 1.00 0.00 H new ATOM 0 HH22 ARG A 54 86.744 -7.830 14.169 1.00 0.00 H new ATOM 937 N TRP A 55 90.184 -7.764 7.026 1.00 0.00 N ATOM 938 CA TRP A 55 88.851 -7.629 6.362 1.00 0.00 C ATOM 939 C TRP A 55 88.211 -9.004 6.220 1.00 0.00 C ATOM 940 O TRP A 55 88.820 -10.015 6.489 1.00 0.00 O ATOM 941 CB TRP A 55 89.030 -7.019 4.971 1.00 0.00 C ATOM 942 CG TRP A 55 90.040 -7.809 4.204 1.00 0.00 C ATOM 943 CD1 TRP A 55 89.772 -8.936 3.507 1.00 0.00 C ATOM 944 CD2 TRP A 55 91.464 -7.554 4.039 1.00 0.00 C ATOM 945 NE1 TRP A 55 90.945 -9.397 2.934 1.00 0.00 N ATOM 946 CE2 TRP A 55 92.014 -8.576 3.229 1.00 0.00 C ATOM 947 CE3 TRP A 55 92.325 -6.548 4.510 1.00 0.00 C ATOM 948 CZ2 TRP A 55 93.368 -8.599 2.898 1.00 0.00 C ATOM 949 CZ3 TRP A 55 93.689 -6.568 4.178 1.00 0.00 C ATOM 950 CH2 TRP A 55 94.208 -7.593 3.373 1.00 0.00 C ATOM 0 H TRP A 55 90.733 -8.569 6.725 1.00 0.00 H new ATOM 0 HA TRP A 55 88.213 -6.985 6.968 1.00 0.00 H new ATOM 0 HB2 TRP A 55 88.078 -7.013 4.440 1.00 0.00 H new ATOM 0 HB3 TRP A 55 89.353 -5.982 5.057 1.00 0.00 H new ATOM 0 HD1 TRP A 55 88.802 -9.401 3.413 1.00 0.00 H new ATOM 0 HE1 TRP A 55 91.011 -10.240 2.364 1.00 0.00 H new ATOM 0 HE3 TRP A 55 91.935 -5.755 5.131 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 93.763 -9.390 2.278 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 94.342 -5.790 4.544 1.00 0.00 H new ATOM 0 HH2 TRP A 55 95.258 -7.603 3.121 1.00 0.00 H new ATOM 961 N ALA A 56 86.980 -9.047 5.798 1.00 0.00 N ATOM 962 CA ALA A 56 86.288 -10.356 5.621 1.00 0.00 C ATOM 963 C ALA A 56 85.318 -10.229 4.445 1.00 0.00 C ATOM 964 O ALA A 56 84.384 -9.453 4.482 1.00 0.00 O ATOM 965 CB ALA A 56 85.525 -10.711 6.903 1.00 0.00 C ATOM 0 H ALA A 56 86.418 -8.228 5.566 1.00 0.00 H new ATOM 0 HA ALA A 56 87.011 -11.146 5.420 1.00 0.00 H new ATOM 0 HB1 ALA A 56 85.020 -11.668 6.772 1.00 0.00 H new ATOM 0 HB2 ALA A 56 86.225 -10.781 7.736 1.00 0.00 H new ATOM 0 HB3 ALA A 56 84.787 -9.937 7.114 1.00 0.00 H new ATOM 971 N ALA A 57 85.540 -10.976 3.396 1.00 0.00 N ATOM 972 CA ALA A 57 84.642 -10.891 2.206 1.00 0.00 C ATOM 973 C ALA A 57 83.631 -12.031 2.241 1.00 0.00 C ATOM 974 O ALA A 57 83.971 -13.187 2.084 1.00 0.00 O ATOM 975 CB ALA A 57 85.483 -10.996 0.935 1.00 0.00 C ATOM 0 H ALA A 57 86.307 -11.643 3.311 1.00 0.00 H new ATOM 0 HA ALA A 57 84.110 -9.940 2.219 1.00 0.00 H new ATOM 0 HB1 ALA A 57 84.833 -10.935 0.062 1.00 0.00 H new ATOM 0 HB2 ALA A 57 86.205 -10.180 0.908 1.00 0.00 H new ATOM 0 HB3 ALA A 57 86.012 -11.949 0.927 1.00 0.00 H new ATOM 981 N SER A 58 82.380 -11.709 2.439 1.00 0.00 N ATOM 982 CA SER A 58 81.329 -12.757 2.478 1.00 0.00 C ATOM 983 C SER A 58 80.731 -12.891 1.065 1.00 0.00 C ATOM 984 O SER A 58 80.804 -11.958 0.289 1.00 0.00 O ATOM 985 CB SER A 58 80.243 -12.331 3.479 1.00 0.00 C ATOM 986 OG SER A 58 80.538 -12.891 4.752 1.00 0.00 O ATOM 0 H SER A 58 82.043 -10.756 2.576 1.00 0.00 H new ATOM 0 HA SER A 58 81.743 -13.716 2.791 1.00 0.00 H new ATOM 0 HB2 SER A 58 80.200 -11.244 3.547 1.00 0.00 H new ATOM 0 HB3 SER A 58 79.264 -12.668 3.138 1.00 0.00 H new ATOM 0 HG SER A 58 79.850 -12.621 5.395 1.00 0.00 H new ATOM 992 N PRO A 59 80.154 -14.033 0.759 1.00 0.00 N ATOM 993 CA PRO A 59 79.548 -14.254 -0.568 1.00 0.00 C ATOM 994 C PRO A 59 78.463 -13.200 -0.838 1.00 0.00 C ATOM 995 O PRO A 59 77.819 -13.218 -1.869 1.00 0.00 O ATOM 996 CB PRO A 59 78.941 -15.677 -0.487 1.00 0.00 C ATOM 997 CG PRO A 59 79.087 -16.155 0.984 1.00 0.00 C ATOM 998 CD PRO A 59 80.051 -15.182 1.685 1.00 0.00 C ATOM 0 HA PRO A 59 80.268 -14.167 -1.381 1.00 0.00 H new ATOM 0 HB2 PRO A 59 77.893 -15.666 -0.786 1.00 0.00 H new ATOM 0 HB3 PRO A 59 79.459 -16.355 -1.165 1.00 0.00 H new ATOM 0 HG2 PRO A 59 78.118 -16.164 1.484 1.00 0.00 H new ATOM 0 HG3 PRO A 59 79.474 -17.173 1.021 1.00 0.00 H new ATOM 0 HD2 PRO A 59 79.667 -14.875 2.658 1.00 0.00 H new ATOM 0 HD3 PRO A 59 81.024 -15.642 1.857 1.00 0.00 H new ATOM 1006 N LYS A 60 78.239 -12.296 0.084 1.00 0.00 N ATOM 1007 CA LYS A 60 77.178 -11.265 -0.123 1.00 0.00 C ATOM 1008 C LYS A 60 77.594 -9.928 0.486 1.00 0.00 C ATOM 1009 O LYS A 60 77.067 -8.893 0.127 1.00 0.00 O ATOM 1010 CB LYS A 60 75.909 -11.738 0.576 1.00 0.00 C ATOM 1011 CG LYS A 60 76.178 -11.882 2.078 1.00 0.00 C ATOM 1012 CD LYS A 60 75.124 -12.793 2.705 1.00 0.00 C ATOM 1013 CE LYS A 60 75.213 -12.709 4.231 1.00 0.00 C ATOM 1014 NZ LYS A 60 75.041 -11.293 4.662 1.00 0.00 N ATOM 0 H LYS A 60 78.744 -12.228 0.968 1.00 0.00 H new ATOM 0 HA LYS A 60 77.017 -11.131 -1.193 1.00 0.00 H new ATOM 0 HB2 LYS A 60 75.101 -11.026 0.407 1.00 0.00 H new ATOM 0 HB3 LYS A 60 75.586 -12.692 0.160 1.00 0.00 H new ATOM 0 HG2 LYS A 60 77.173 -12.295 2.241 1.00 0.00 H new ATOM 0 HG3 LYS A 60 76.157 -10.903 2.556 1.00 0.00 H new ATOM 0 HD2 LYS A 60 74.129 -12.497 2.372 1.00 0.00 H new ATOM 0 HD3 LYS A 60 75.277 -13.821 2.378 1.00 0.00 H new ATOM 0 HE2 LYS A 60 74.445 -13.334 4.686 1.00 0.00 H new ATOM 0 HE3 LYS A 60 76.176 -13.089 4.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 74.715 -11.268 5.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 75.950 -10.794 4.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 74.338 -10.828 4.053 1.00 0.00 H new ATOM 1028 N SER A 61 78.508 -9.938 1.421 1.00 0.00 N ATOM 1029 CA SER A 61 78.931 -8.656 2.081 1.00 0.00 C ATOM 1030 C SER A 61 80.455 -8.515 2.113 1.00 0.00 C ATOM 1031 O SER A 61 81.196 -9.415 1.771 1.00 0.00 O ATOM 1032 CB SER A 61 78.397 -8.634 3.511 1.00 0.00 C ATOM 1033 OG SER A 61 76.983 -8.777 3.485 1.00 0.00 O ATOM 0 H SER A 61 78.982 -10.775 1.759 1.00 0.00 H new ATOM 0 HA SER A 61 78.526 -7.825 1.504 1.00 0.00 H new ATOM 0 HB2 SER A 61 78.845 -9.440 4.092 1.00 0.00 H new ATOM 0 HB3 SER A 61 78.671 -7.699 4.000 1.00 0.00 H new ATOM 0 HG SER A 61 76.636 -8.765 4.401 1.00 0.00 H new ATOM 1039 N PHE A 62 80.907 -7.359 2.527 1.00 0.00 N ATOM 1040 CA PHE A 62 82.370 -7.062 2.608 1.00 0.00 C ATOM 1041 C PHE A 62 82.625 -6.310 3.917 1.00 0.00 C ATOM 1042 O PHE A 62 81.820 -5.495 4.318 1.00 0.00 O ATOM 1043 CB PHE A 62 82.747 -6.185 1.412 1.00 0.00 C ATOM 1044 CG PHE A 62 84.234 -5.900 1.398 1.00 0.00 C ATOM 1045 CD1 PHE A 62 85.152 -6.952 1.282 1.00 0.00 C ATOM 1046 CD2 PHE A 62 84.695 -4.579 1.483 1.00 0.00 C ATOM 1047 CE1 PHE A 62 86.524 -6.684 1.252 1.00 0.00 C ATOM 1048 CE2 PHE A 62 86.067 -4.313 1.454 1.00 0.00 C ATOM 1049 CZ PHE A 62 86.983 -5.366 1.337 1.00 0.00 C ATOM 0 H PHE A 62 80.307 -6.588 2.820 1.00 0.00 H new ATOM 0 HA PHE A 62 82.966 -7.974 2.588 1.00 0.00 H new ATOM 0 HB2 PHE A 62 82.459 -6.683 0.486 1.00 0.00 H new ATOM 0 HB3 PHE A 62 82.193 -5.247 1.455 1.00 0.00 H new ATOM 0 HD1 PHE A 62 84.800 -7.971 1.216 1.00 0.00 H new ATOM 0 HD2 PHE A 62 83.990 -3.766 1.571 1.00 0.00 H new ATOM 0 HE1 PHE A 62 87.230 -7.496 1.163 1.00 0.00 H new ATOM 0 HE2 PHE A 62 86.421 -3.295 1.522 1.00 0.00 H new ATOM 0 HZ PHE A 62 88.043 -5.160 1.312 1.00 0.00 H new ATOM 1059 N THR A 63 83.709 -6.586 4.612 1.00 0.00 N ATOM 1060 CA THR A 63 83.954 -5.881 5.918 1.00 0.00 C ATOM 1061 C THR A 63 85.427 -5.509 6.088 1.00 0.00 C ATOM 1062 O THR A 63 86.318 -6.259 5.746 1.00 0.00 O ATOM 1063 CB THR A 63 83.530 -6.808 7.065 1.00 0.00 C ATOM 1064 OG1 THR A 63 82.120 -6.981 7.029 1.00 0.00 O ATOM 1065 CG2 THR A 63 83.935 -6.199 8.411 1.00 0.00 C ATOM 0 H THR A 63 84.425 -7.259 4.337 1.00 0.00 H new ATOM 0 HA THR A 63 83.372 -4.960 5.929 1.00 0.00 H new ATOM 0 HB THR A 63 84.025 -7.772 6.949 1.00 0.00 H new ATOM 0 HG1 THR A 63 81.844 -7.574 7.759 1.00 0.00 H new ATOM 0 HG21 THR A 63 83.629 -6.865 9.218 1.00 0.00 H new ATOM 0 HG22 THR A 63 85.017 -6.066 8.440 1.00 0.00 H new ATOM 0 HG23 THR A 63 83.448 -5.232 8.534 1.00 0.00 H new ATOM 1073 N LEU A 64 85.674 -4.348 6.651 1.00 0.00 N ATOM 1074 CA LEU A 64 87.078 -3.887 6.902 1.00 0.00 C ATOM 1075 C LEU A 64 87.245 -3.598 8.390 1.00 0.00 C ATOM 1076 O LEU A 64 86.285 -3.392 9.107 1.00 0.00 O ATOM 1077 CB LEU A 64 87.358 -2.592 6.146 1.00 0.00 C ATOM 1078 CG LEU A 64 87.045 -2.771 4.659 1.00 0.00 C ATOM 1079 CD1 LEU A 64 87.168 -1.415 3.955 1.00 0.00 C ATOM 1080 CD2 LEU A 64 88.028 -3.783 4.032 1.00 0.00 C ATOM 0 H LEU A 64 84.952 -3.692 6.951 1.00 0.00 H new ATOM 0 HA LEU A 64 87.764 -4.666 6.569 1.00 0.00 H new ATOM 0 HB2 LEU A 64 86.754 -1.784 6.558 1.00 0.00 H new ATOM 0 HB3 LEU A 64 88.402 -2.306 6.274 1.00 0.00 H new ATOM 0 HG LEU A 64 86.031 -3.152 4.542 1.00 0.00 H new ATOM 0 HD11 LEU A 64 86.946 -1.534 2.894 1.00 0.00 H new ATOM 0 HD12 LEU A 64 86.463 -0.711 4.396 1.00 0.00 H new ATOM 0 HD13 LEU A 64 88.183 -1.034 4.073 1.00 0.00 H new ATOM 0 HD21 LEU A 64 87.799 -3.905 2.973 1.00 0.00 H new ATOM 0 HD22 LEU A 64 89.048 -3.415 4.142 1.00 0.00 H new ATOM 0 HD23 LEU A 64 87.932 -4.744 4.537 1.00 0.00 H new ATOM 1092 N ASP A 65 88.462 -3.567 8.852 1.00 0.00 N ATOM 1093 CA ASP A 65 88.732 -3.273 10.294 1.00 0.00 C ATOM 1094 C ASP A 65 89.851 -2.238 10.399 1.00 0.00 C ATOM 1095 O ASP A 65 90.880 -2.360 9.764 1.00 0.00 O ATOM 1096 CB ASP A 65 89.159 -4.553 11.005 1.00 0.00 C ATOM 1097 CG ASP A 65 89.449 -4.249 12.476 1.00 0.00 C ATOM 1098 OD1 ASP A 65 88.803 -3.366 13.016 1.00 0.00 O ATOM 1099 OD2 ASP A 65 90.311 -4.904 13.037 1.00 0.00 O ATOM 0 H ASP A 65 89.295 -3.735 8.288 1.00 0.00 H new ATOM 0 HA ASP A 65 87.827 -2.883 10.760 1.00 0.00 H new ATOM 0 HB2 ASP A 65 88.373 -5.304 10.926 1.00 0.00 H new ATOM 0 HB3 ASP A 65 90.046 -4.968 10.527 1.00 0.00 H new ATOM 1104 N PHE A 66 89.666 -1.227 11.207 1.00 0.00 N ATOM 1105 CA PHE A 66 90.722 -0.182 11.372 1.00 0.00 C ATOM 1106 C PHE A 66 91.442 -0.418 12.696 1.00 0.00 C ATOM 1107 O PHE A 66 92.348 0.303 13.064 1.00 0.00 O ATOM 1108 CB PHE A 66 90.064 1.196 11.390 1.00 0.00 C ATOM 1109 CG PHE A 66 89.418 1.453 10.049 1.00 0.00 C ATOM 1110 CD1 PHE A 66 90.217 1.644 8.915 1.00 0.00 C ATOM 1111 CD2 PHE A 66 88.022 1.493 9.936 1.00 0.00 C ATOM 1112 CE1 PHE A 66 89.622 1.874 7.670 1.00 0.00 C ATOM 1113 CE2 PHE A 66 87.427 1.725 8.690 1.00 0.00 C ATOM 1114 CZ PHE A 66 88.227 1.915 7.558 1.00 0.00 C ATOM 0 H PHE A 66 88.824 -1.079 11.763 1.00 0.00 H new ATOM 0 HA PHE A 66 91.434 -0.234 10.548 1.00 0.00 H new ATOM 0 HB2 PHE A 66 89.317 1.246 12.183 1.00 0.00 H new ATOM 0 HB3 PHE A 66 90.807 1.965 11.603 1.00 0.00 H new ATOM 0 HD1 PHE A 66 91.293 1.614 9.002 1.00 0.00 H new ATOM 0 HD2 PHE A 66 87.405 1.345 10.810 1.00 0.00 H new ATOM 0 HE1 PHE A 66 90.239 2.020 6.795 1.00 0.00 H new ATOM 0 HE2 PHE A 66 86.351 1.757 8.603 1.00 0.00 H new ATOM 0 HZ PHE A 66 87.768 2.093 6.597 1.00 0.00 H new ATOM 1124 N GLY A 67 91.038 -1.426 13.416 1.00 0.00 N ATOM 1125 CA GLY A 67 91.687 -1.719 14.724 1.00 0.00 C ATOM 1126 C GLY A 67 91.219 -0.697 15.756 1.00 0.00 C ATOM 1127 O GLY A 67 91.517 -0.801 16.929 1.00 0.00 O ATOM 0 H GLY A 67 90.284 -2.062 13.155 1.00 0.00 H new ATOM 0 HA2 GLY A 67 91.433 -2.727 15.052 1.00 0.00 H new ATOM 0 HA3 GLY A 67 92.772 -1.680 14.622 1.00 0.00 H new ATOM 1131 N ASP A 68 90.485 0.297 15.327 1.00 0.00 N ATOM 1132 CA ASP A 68 89.993 1.335 16.278 1.00 0.00 C ATOM 1133 C ASP A 68 88.596 0.956 16.775 1.00 0.00 C ATOM 1134 O ASP A 68 87.601 1.252 16.144 1.00 0.00 O ATOM 1135 CB ASP A 68 89.935 2.687 15.564 1.00 0.00 C ATOM 1136 CG ASP A 68 91.163 2.842 14.665 1.00 0.00 C ATOM 1137 OD1 ASP A 68 92.221 2.376 15.055 1.00 0.00 O ATOM 1138 OD2 ASP A 68 91.025 3.426 13.602 1.00 0.00 O ATOM 0 H ASP A 68 90.205 0.434 14.356 1.00 0.00 H new ATOM 0 HA ASP A 68 90.671 1.401 17.129 1.00 0.00 H new ATOM 0 HB2 ASP A 68 89.024 2.757 14.969 1.00 0.00 H new ATOM 0 HB3 ASP A 68 89.902 3.495 16.295 1.00 0.00 H new ATOM 1143 N TYR A 69 88.513 0.304 17.903 1.00 0.00 N ATOM 1144 CA TYR A 69 87.182 -0.091 18.442 1.00 0.00 C ATOM 1145 C TYR A 69 86.228 1.103 18.375 1.00 0.00 C ATOM 1146 O TYR A 69 85.102 0.989 17.933 1.00 0.00 O ATOM 1147 CB TYR A 69 87.335 -0.535 19.897 1.00 0.00 C ATOM 1148 CG TYR A 69 85.972 -0.845 20.465 1.00 0.00 C ATOM 1149 CD1 TYR A 69 85.353 -2.061 20.162 1.00 0.00 C ATOM 1150 CD2 TYR A 69 85.327 0.085 21.287 1.00 0.00 C ATOM 1151 CE1 TYR A 69 84.086 -2.351 20.682 1.00 0.00 C ATOM 1152 CE2 TYR A 69 84.060 -0.203 21.809 1.00 0.00 C ATOM 1153 CZ TYR A 69 83.439 -1.422 21.506 1.00 0.00 C ATOM 1154 OH TYR A 69 82.190 -1.707 22.018 1.00 0.00 O ATOM 0 H TYR A 69 89.311 0.028 18.475 1.00 0.00 H new ATOM 0 HA TYR A 69 86.780 -0.912 17.849 1.00 0.00 H new ATOM 0 HB2 TYR A 69 87.976 -1.415 19.956 1.00 0.00 H new ATOM 0 HB3 TYR A 69 87.816 0.250 20.481 1.00 0.00 H new ATOM 0 HD1 TYR A 69 85.852 -2.777 19.526 1.00 0.00 H new ATOM 0 HD2 TYR A 69 85.806 1.025 21.519 1.00 0.00 H new ATOM 0 HE1 TYR A 69 83.608 -3.291 20.448 1.00 0.00 H new ATOM 0 HE2 TYR A 69 83.562 0.514 22.445 1.00 0.00 H new ATOM 0 HH TYR A 69 81.884 -0.957 22.570 1.00 0.00 H new ATOM 1164 N GLN A 70 86.673 2.245 18.814 1.00 0.00 N ATOM 1165 CA GLN A 70 85.801 3.452 18.782 1.00 0.00 C ATOM 1166 C GLN A 70 85.183 3.603 17.393 1.00 0.00 C ATOM 1167 O GLN A 70 83.981 3.695 17.244 1.00 0.00 O ATOM 1168 CB GLN A 70 86.630 4.698 19.114 1.00 0.00 C ATOM 1169 CG GLN A 70 87.822 4.820 18.158 1.00 0.00 C ATOM 1170 CD GLN A 70 88.902 5.709 18.784 1.00 0.00 C ATOM 1171 OE1 GLN A 70 88.784 6.919 18.785 1.00 0.00 O ATOM 1172 NE2 GLN A 70 89.955 5.156 19.319 1.00 0.00 N ATOM 0 H GLN A 70 87.607 2.396 19.195 1.00 0.00 H new ATOM 0 HA GLN A 70 85.007 3.341 19.520 1.00 0.00 H new ATOM 0 HB2 GLN A 70 86.005 5.588 19.041 1.00 0.00 H new ATOM 0 HB3 GLN A 70 86.986 4.642 20.143 1.00 0.00 H new ATOM 0 HG2 GLN A 70 88.230 3.832 17.944 1.00 0.00 H new ATOM 0 HG3 GLN A 70 87.496 5.243 17.208 1.00 0.00 H new ATOM 0 HE21 GLN A 70 90.054 4.141 19.318 1.00 0.00 H new ATOM 0 HE22 GLN A 70 90.680 5.739 19.738 1.00 0.00 H new ATOM 1181 N ASP A 71 85.995 3.630 16.375 1.00 0.00 N ATOM 1182 CA ASP A 71 85.454 3.775 15.001 1.00 0.00 C ATOM 1183 C ASP A 71 84.588 2.560 14.682 1.00 0.00 C ATOM 1184 O ASP A 71 83.590 2.652 13.995 1.00 0.00 O ATOM 1185 CB ASP A 71 86.616 3.861 14.011 1.00 0.00 C ATOM 1186 CG ASP A 71 86.129 4.459 12.688 1.00 0.00 C ATOM 1187 OD1 ASP A 71 85.872 5.651 12.658 1.00 0.00 O ATOM 1188 OD2 ASP A 71 86.023 3.713 11.728 1.00 0.00 O ATOM 0 H ASP A 71 87.011 3.558 16.437 1.00 0.00 H new ATOM 0 HA ASP A 71 84.852 4.681 14.926 1.00 0.00 H new ATOM 0 HB2 ASP A 71 87.414 4.476 14.426 1.00 0.00 H new ATOM 0 HB3 ASP A 71 87.034 2.869 13.840 1.00 0.00 H new ATOM 1193 N GLY A 72 84.967 1.420 15.183 1.00 0.00 N ATOM 1194 CA GLY A 72 84.177 0.188 14.923 1.00 0.00 C ATOM 1195 C GLY A 72 84.510 -0.349 13.531 1.00 0.00 C ATOM 1196 O GLY A 72 85.224 0.271 12.769 1.00 0.00 O ATOM 0 H GLY A 72 85.795 1.288 15.765 1.00 0.00 H new ATOM 0 HA2 GLY A 72 84.401 -0.566 15.678 1.00 0.00 H new ATOM 0 HA3 GLY A 72 83.111 0.405 14.995 1.00 0.00 H new ATOM 1200 N TYR A 73 84.001 -1.502 13.197 1.00 0.00 N ATOM 1201 CA TYR A 73 84.288 -2.087 11.858 1.00 0.00 C ATOM 1202 C TYR A 73 83.439 -1.388 10.794 1.00 0.00 C ATOM 1203 O TYR A 73 82.573 -0.591 11.098 1.00 0.00 O ATOM 1204 CB TYR A 73 83.947 -3.578 11.876 1.00 0.00 C ATOM 1205 CG TYR A 73 84.600 -4.230 13.071 1.00 0.00 C ATOM 1206 CD1 TYR A 73 85.977 -4.460 13.067 1.00 0.00 C ATOM 1207 CD2 TYR A 73 83.831 -4.600 14.179 1.00 0.00 C ATOM 1208 CE1 TYR A 73 86.591 -5.062 14.171 1.00 0.00 C ATOM 1209 CE2 TYR A 73 84.442 -5.203 15.286 1.00 0.00 C ATOM 1210 CZ TYR A 73 85.824 -5.434 15.282 1.00 0.00 C ATOM 1211 OH TYR A 73 86.429 -6.028 16.371 1.00 0.00 O ATOM 0 H TYR A 73 83.397 -2.066 13.795 1.00 0.00 H new ATOM 0 HA TYR A 73 85.344 -1.951 11.623 1.00 0.00 H new ATOM 0 HB2 TYR A 73 82.866 -3.714 11.919 1.00 0.00 H new ATOM 0 HB3 TYR A 73 84.291 -4.052 10.957 1.00 0.00 H new ATOM 0 HD1 TYR A 73 86.569 -4.173 12.211 1.00 0.00 H new ATOM 0 HD2 TYR A 73 82.766 -4.421 14.181 1.00 0.00 H new ATOM 0 HE1 TYR A 73 87.656 -5.240 14.166 1.00 0.00 H new ATOM 0 HE2 TYR A 73 83.848 -5.490 16.142 1.00 0.00 H new ATOM 0 HH TYR A 73 85.754 -6.222 17.055 1.00 0.00 H new ATOM 1221 N TYR A 74 83.677 -1.699 9.546 1.00 0.00 N ATOM 1222 CA TYR A 74 82.895 -1.089 8.432 1.00 0.00 C ATOM 1223 C TYR A 74 82.429 -2.214 7.516 1.00 0.00 C ATOM 1224 O TYR A 74 83.213 -2.808 6.804 1.00 0.00 O ATOM 1225 CB TYR A 74 83.791 -0.134 7.645 1.00 0.00 C ATOM 1226 CG TYR A 74 83.036 0.407 6.451 1.00 0.00 C ATOM 1227 CD1 TYR A 74 81.961 1.282 6.643 1.00 0.00 C ATOM 1228 CD2 TYR A 74 83.412 0.036 5.151 1.00 0.00 C ATOM 1229 CE1 TYR A 74 81.261 1.785 5.540 1.00 0.00 C ATOM 1230 CE2 TYR A 74 82.713 0.540 4.049 1.00 0.00 C ATOM 1231 CZ TYR A 74 81.637 1.414 4.243 1.00 0.00 C ATOM 1232 OH TYR A 74 80.948 1.911 3.156 1.00 0.00 O ATOM 0 H TYR A 74 84.393 -2.362 9.248 1.00 0.00 H new ATOM 0 HA TYR A 74 82.042 -0.535 8.824 1.00 0.00 H new ATOM 0 HB2 TYR A 74 84.115 0.687 8.285 1.00 0.00 H new ATOM 0 HB3 TYR A 74 84.690 -0.654 7.314 1.00 0.00 H new ATOM 0 HD1 TYR A 74 81.671 1.569 7.643 1.00 0.00 H new ATOM 0 HD2 TYR A 74 84.242 -0.639 5.001 1.00 0.00 H new ATOM 0 HE1 TYR A 74 80.431 2.459 5.689 1.00 0.00 H new ATOM 0 HE2 TYR A 74 83.004 0.255 3.049 1.00 0.00 H new ATOM 0 HH TYR A 74 80.015 2.076 3.408 1.00 0.00 H new ATOM 1242 N SER A 75 81.161 -2.525 7.551 1.00 0.00 N ATOM 1243 CA SER A 75 80.613 -3.634 6.712 1.00 0.00 C ATOM 1244 C SER A 75 79.443 -3.153 5.856 1.00 0.00 C ATOM 1245 O SER A 75 78.664 -2.309 6.252 1.00 0.00 O ATOM 1246 CB SER A 75 80.134 -4.754 7.632 1.00 0.00 C ATOM 1247 OG SER A 75 79.226 -4.219 8.586 1.00 0.00 O ATOM 0 H SER A 75 80.470 -2.051 8.134 1.00 0.00 H new ATOM 0 HA SER A 75 81.399 -3.990 6.047 1.00 0.00 H new ATOM 0 HB2 SER A 75 79.649 -5.537 7.049 1.00 0.00 H new ATOM 0 HB3 SER A 75 80.983 -5.213 8.138 1.00 0.00 H new ATOM 0 HG SER A 75 78.914 -4.935 9.178 1.00 0.00 H new ATOM 1253 N VAL A 76 79.319 -3.707 4.679 1.00 0.00 N ATOM 1254 CA VAL A 76 78.205 -3.323 3.763 1.00 0.00 C ATOM 1255 C VAL A 76 77.881 -4.512 2.858 1.00 0.00 C ATOM 1256 O VAL A 76 78.590 -5.498 2.839 1.00 0.00 O ATOM 1257 CB VAL A 76 78.633 -2.134 2.902 1.00 0.00 C ATOM 1258 CG1 VAL A 76 78.892 -0.921 3.797 1.00 0.00 C ATOM 1259 CG2 VAL A 76 79.915 -2.492 2.150 1.00 0.00 C ATOM 0 H VAL A 76 79.950 -4.418 4.309 1.00 0.00 H new ATOM 0 HA VAL A 76 77.327 -3.046 4.346 1.00 0.00 H new ATOM 0 HB VAL A 76 77.843 -1.897 2.190 1.00 0.00 H new ATOM 0 HG11 VAL A 76 79.197 -0.074 3.183 1.00 0.00 H new ATOM 0 HG12 VAL A 76 77.981 -0.667 4.338 1.00 0.00 H new ATOM 0 HG13 VAL A 76 79.683 -1.156 4.509 1.00 0.00 H new ATOM 0 HG21 VAL A 76 80.224 -1.647 1.535 1.00 0.00 H new ATOM 0 HG22 VAL A 76 80.703 -2.727 2.866 1.00 0.00 H new ATOM 0 HG23 VAL A 76 79.733 -3.358 1.513 1.00 0.00 H new ATOM 1269 N GLN A 77 76.813 -4.436 2.113 1.00 0.00 N ATOM 1270 CA GLN A 77 76.449 -5.566 1.224 1.00 0.00 C ATOM 1271 C GLN A 77 77.302 -5.528 -0.046 1.00 0.00 C ATOM 1272 O GLN A 77 77.501 -4.488 -0.641 1.00 0.00 O ATOM 1273 CB GLN A 77 74.973 -5.443 0.855 1.00 0.00 C ATOM 1274 CG GLN A 77 74.119 -5.850 2.057 1.00 0.00 C ATOM 1275 CD GLN A 77 74.448 -4.948 3.249 1.00 0.00 C ATOM 1276 OE1 GLN A 77 74.666 -5.426 4.345 1.00 0.00 O ATOM 1277 NE2 GLN A 77 74.491 -3.654 3.083 1.00 0.00 N ATOM 0 H GLN A 77 76.178 -3.638 2.084 1.00 0.00 H new ATOM 0 HA GLN A 77 76.628 -6.510 1.738 1.00 0.00 H new ATOM 0 HB2 GLN A 77 74.743 -4.419 0.561 1.00 0.00 H new ATOM 0 HB3 GLN A 77 74.745 -6.079 -0.000 1.00 0.00 H new ATOM 0 HG2 GLN A 77 73.061 -5.769 1.808 1.00 0.00 H new ATOM 0 HG3 GLN A 77 74.308 -6.892 2.314 1.00 0.00 H new ATOM 0 HE21 GLN A 77 74.308 -3.251 2.164 1.00 0.00 H new ATOM 0 HE22 GLN A 77 74.707 -3.045 3.872 1.00 0.00 H new ATOM 1286 N THR A 78 77.800 -6.663 -0.469 1.00 0.00 N ATOM 1287 CA THR A 78 78.637 -6.717 -1.702 1.00 0.00 C ATOM 1288 C THR A 78 78.425 -8.060 -2.393 1.00 0.00 C ATOM 1289 O THR A 78 78.567 -9.108 -1.796 1.00 0.00 O ATOM 1290 CB THR A 78 80.119 -6.587 -1.341 1.00 0.00 C ATOM 1291 OG1 THR A 78 80.487 -7.660 -0.485 1.00 0.00 O ATOM 1292 CG2 THR A 78 80.377 -5.256 -0.631 1.00 0.00 C ATOM 0 H THR A 78 77.660 -7.561 -0.007 1.00 0.00 H new ATOM 0 HA THR A 78 78.348 -5.897 -2.360 1.00 0.00 H new ATOM 0 HB THR A 78 80.713 -6.620 -2.254 1.00 0.00 H new ATOM 0 HG1 THR A 78 79.867 -8.408 -0.613 1.00 0.00 H new ATOM 0 HG21 THR A 78 81.435 -5.177 -0.380 1.00 0.00 H new ATOM 0 HG22 THR A 78 80.097 -4.433 -1.288 1.00 0.00 H new ATOM 0 HG23 THR A 78 79.783 -5.209 0.282 1.00 0.00 H new ATOM 1300 N THR A 79 78.100 -8.039 -3.648 1.00 0.00 N ATOM 1301 CA THR A 79 77.891 -9.314 -4.382 1.00 0.00 C ATOM 1302 C THR A 79 79.238 -10.010 -4.558 1.00 0.00 C ATOM 1303 O THR A 79 79.323 -11.219 -4.637 1.00 0.00 O ATOM 1304 CB THR A 79 77.292 -9.016 -5.755 1.00 0.00 C ATOM 1305 OG1 THR A 79 76.077 -8.298 -5.595 1.00 0.00 O ATOM 1306 CG2 THR A 79 77.022 -10.327 -6.493 1.00 0.00 C ATOM 0 H THR A 79 77.969 -7.192 -4.202 1.00 0.00 H new ATOM 0 HA THR A 79 77.212 -9.957 -3.822 1.00 0.00 H new ATOM 0 HB THR A 79 77.993 -8.416 -6.335 1.00 0.00 H new ATOM 0 HG1 THR A 79 75.693 -8.105 -6.476 1.00 0.00 H new ATOM 0 HG21 THR A 79 76.595 -10.112 -7.472 1.00 0.00 H new ATOM 0 HG22 THR A 79 77.957 -10.874 -6.617 1.00 0.00 H new ATOM 0 HG23 THR A 79 76.322 -10.932 -5.916 1.00 0.00 H new ATOM 1314 N GLU A 80 80.295 -9.245 -4.623 1.00 0.00 N ATOM 1315 CA GLU A 80 81.653 -9.833 -4.797 1.00 0.00 C ATOM 1316 C GLU A 80 82.358 -9.898 -3.449 1.00 0.00 C ATOM 1317 O GLU A 80 82.559 -10.956 -2.887 1.00 0.00 O ATOM 1318 CB GLU A 80 82.463 -8.955 -5.757 1.00 0.00 C ATOM 1319 CG GLU A 80 81.587 -8.548 -6.946 1.00 0.00 C ATOM 1320 CD GLU A 80 80.636 -7.422 -6.530 1.00 0.00 C ATOM 1321 OE1 GLU A 80 80.732 -6.979 -5.397 1.00 0.00 O ATOM 1322 OE2 GLU A 80 79.826 -7.024 -7.350 1.00 0.00 O ATOM 0 H GLU A 80 80.274 -8.227 -4.562 1.00 0.00 H new ATOM 0 HA GLU A 80 81.566 -10.840 -5.206 1.00 0.00 H new ATOM 0 HB2 GLU A 80 82.823 -8.067 -5.237 1.00 0.00 H new ATOM 0 HB3 GLU A 80 83.341 -9.497 -6.108 1.00 0.00 H new ATOM 0 HG2 GLU A 80 82.214 -8.219 -7.775 1.00 0.00 H new ATOM 0 HG3 GLU A 80 81.016 -9.407 -7.299 1.00 0.00 H new ATOM 1329 N GLY A 81 82.740 -8.772 -2.934 1.00 0.00 N ATOM 1330 CA GLY A 81 83.446 -8.747 -1.623 1.00 0.00 C ATOM 1331 C GLY A 81 84.823 -9.390 -1.780 1.00 0.00 C ATOM 1332 O GLY A 81 85.810 -8.908 -1.259 1.00 0.00 O ATOM 0 H GLY A 81 82.595 -7.859 -3.364 1.00 0.00 H new ATOM 0 HA2 GLY A 81 83.549 -7.720 -1.272 1.00 0.00 H new ATOM 0 HA3 GLY A 81 82.865 -9.284 -0.873 1.00 0.00 H new ATOM 1336 N GLU A 82 84.897 -10.475 -2.500 1.00 0.00 N ATOM 1337 CA GLU A 82 86.204 -11.157 -2.701 1.00 0.00 C ATOM 1338 C GLU A 82 87.114 -10.254 -3.530 1.00 0.00 C ATOM 1339 O GLU A 82 88.198 -9.893 -3.118 1.00 0.00 O ATOM 1340 CB GLU A 82 85.962 -12.483 -3.439 1.00 0.00 C ATOM 1341 CG GLU A 82 87.267 -13.001 -4.043 1.00 0.00 C ATOM 1342 CD GLU A 82 87.137 -14.491 -4.368 1.00 0.00 C ATOM 1343 OE1 GLU A 82 86.980 -15.268 -3.440 1.00 0.00 O ATOM 1344 OE2 GLU A 82 87.196 -14.830 -5.538 1.00 0.00 O ATOM 0 H GLU A 82 84.103 -10.920 -2.960 1.00 0.00 H new ATOM 0 HA GLU A 82 86.679 -11.359 -1.741 1.00 0.00 H new ATOM 0 HB2 GLU A 82 85.555 -13.222 -2.749 1.00 0.00 H new ATOM 0 HB3 GLU A 82 85.221 -12.339 -4.226 1.00 0.00 H new ATOM 0 HG2 GLU A 82 87.506 -12.442 -4.948 1.00 0.00 H new ATOM 0 HG3 GLU A 82 88.089 -12.843 -3.345 1.00 0.00 H new ATOM 1351 N GLN A 83 86.673 -9.888 -4.694 1.00 0.00 N ATOM 1352 CA GLN A 83 87.498 -9.004 -5.565 1.00 0.00 C ATOM 1353 C GLN A 83 87.960 -7.811 -4.749 1.00 0.00 C ATOM 1354 O GLN A 83 89.124 -7.463 -4.727 1.00 0.00 O ATOM 1355 CB GLN A 83 86.664 -8.505 -6.744 1.00 0.00 C ATOM 1356 CG GLN A 83 85.972 -9.673 -7.436 1.00 0.00 C ATOM 1357 CD GLN A 83 84.972 -9.135 -8.455 1.00 0.00 C ATOM 1358 OE1 GLN A 83 85.089 -8.014 -8.909 1.00 0.00 O ATOM 1359 NE2 GLN A 83 83.987 -9.895 -8.836 1.00 0.00 N ATOM 0 H GLN A 83 85.772 -10.162 -5.086 1.00 0.00 H new ATOM 0 HA GLN A 83 88.354 -9.563 -5.942 1.00 0.00 H new ATOM 0 HB2 GLN A 83 85.921 -7.789 -6.395 1.00 0.00 H new ATOM 0 HB3 GLN A 83 87.303 -7.980 -7.454 1.00 0.00 H new ATOM 0 HG2 GLN A 83 86.709 -10.305 -7.931 1.00 0.00 H new ATOM 0 HG3 GLN A 83 85.461 -10.295 -6.701 1.00 0.00 H new ATOM 0 HE21 GLN A 83 83.891 -10.836 -8.453 1.00 0.00 H new ATOM 0 HE22 GLN A 83 83.311 -9.550 -9.517 1.00 0.00 H new ATOM 1368 N ILE A 84 87.051 -7.191 -4.064 1.00 0.00 N ATOM 1369 CA ILE A 84 87.428 -6.027 -3.228 1.00 0.00 C ATOM 1370 C ILE A 84 88.532 -6.469 -2.273 1.00 0.00 C ATOM 1371 O ILE A 84 89.369 -5.690 -1.865 1.00 0.00 O ATOM 1372 CB ILE A 84 86.213 -5.550 -2.435 1.00 0.00 C ATOM 1373 CG1 ILE A 84 85.036 -5.337 -3.392 1.00 0.00 C ATOM 1374 CG2 ILE A 84 86.551 -4.234 -1.732 1.00 0.00 C ATOM 1375 CD1 ILE A 84 83.810 -4.860 -2.611 1.00 0.00 C ATOM 0 H ILE A 84 86.062 -7.439 -4.046 1.00 0.00 H new ATOM 0 HA ILE A 84 87.779 -5.206 -3.853 1.00 0.00 H new ATOM 0 HB ILE A 84 85.943 -6.298 -1.690 1.00 0.00 H new ATOM 0 HG12 ILE A 84 85.302 -4.602 -4.152 1.00 0.00 H new ATOM 0 HG13 ILE A 84 84.807 -6.266 -3.913 1.00 0.00 H new ATOM 0 HG21 ILE A 84 85.685 -3.891 -1.165 1.00 0.00 H new ATOM 0 HG22 ILE A 84 87.390 -4.389 -1.054 1.00 0.00 H new ATOM 0 HG23 ILE A 84 86.819 -3.483 -2.475 1.00 0.00 H new ATOM 0 HD11 ILE A 84 82.977 -4.710 -3.298 1.00 0.00 H new ATOM 0 HD12 ILE A 84 83.538 -5.609 -1.868 1.00 0.00 H new ATOM 0 HD13 ILE A 84 84.041 -3.920 -2.110 1.00 0.00 H new ATOM 1387 N ALA A 85 88.546 -7.731 -1.930 1.00 0.00 N ATOM 1388 CA ALA A 85 89.604 -8.250 -1.017 1.00 0.00 C ATOM 1389 C ALA A 85 90.844 -8.582 -1.843 1.00 0.00 C ATOM 1390 O ALA A 85 91.961 -8.487 -1.374 1.00 0.00 O ATOM 1391 CB ALA A 85 89.104 -9.513 -0.313 1.00 0.00 C ATOM 0 H ALA A 85 87.868 -8.425 -2.244 1.00 0.00 H new ATOM 0 HA ALA A 85 89.847 -7.498 -0.266 1.00 0.00 H new ATOM 0 HB1 ALA A 85 89.880 -9.889 0.353 1.00 0.00 H new ATOM 0 HB2 ALA A 85 88.211 -9.277 0.266 1.00 0.00 H new ATOM 0 HB3 ALA A 85 88.864 -10.273 -1.056 1.00 0.00 H new ATOM 1397 N GLN A 86 90.654 -8.961 -3.078 1.00 0.00 N ATOM 1398 CA GLN A 86 91.817 -9.288 -3.942 1.00 0.00 C ATOM 1399 C GLN A 86 92.406 -7.985 -4.461 1.00 0.00 C ATOM 1400 O GLN A 86 93.605 -7.827 -4.580 1.00 0.00 O ATOM 1401 CB GLN A 86 91.350 -10.148 -5.113 1.00 0.00 C ATOM 1402 CG GLN A 86 92.554 -10.793 -5.787 1.00 0.00 C ATOM 1403 CD GLN A 86 92.144 -11.358 -7.144 1.00 0.00 C ATOM 1404 OE1 GLN A 86 91.003 -11.247 -7.545 1.00 0.00 O ATOM 1405 NE2 GLN A 86 93.036 -11.966 -7.873 1.00 0.00 N ATOM 0 H GLN A 86 89.741 -9.057 -3.523 1.00 0.00 H new ATOM 0 HA GLN A 86 92.570 -9.838 -3.377 1.00 0.00 H new ATOM 0 HB2 GLN A 86 90.663 -10.917 -4.761 1.00 0.00 H new ATOM 0 HB3 GLN A 86 90.803 -9.536 -5.831 1.00 0.00 H new ATOM 0 HG2 GLN A 86 93.349 -10.058 -5.914 1.00 0.00 H new ATOM 0 HG3 GLN A 86 92.953 -11.588 -5.157 1.00 0.00 H new ATOM 0 HE21 GLN A 86 93.994 -12.059 -7.535 1.00 0.00 H new ATOM 0 HE22 GLN A 86 92.777 -12.350 -8.782 1.00 0.00 H new ATOM 1414 N LEU A 87 91.559 -7.044 -4.749 1.00 0.00 N ATOM 1415 CA LEU A 87 92.041 -5.733 -5.237 1.00 0.00 C ATOM 1416 C LEU A 87 92.732 -5.037 -4.073 1.00 0.00 C ATOM 1417 O LEU A 87 93.773 -4.426 -4.213 1.00 0.00 O ATOM 1418 CB LEU A 87 90.844 -4.902 -5.709 1.00 0.00 C ATOM 1419 CG LEU A 87 91.296 -3.488 -6.088 1.00 0.00 C ATOM 1420 CD1 LEU A 87 92.408 -3.557 -7.149 1.00 0.00 C ATOM 1421 CD2 LEU A 87 90.098 -2.714 -6.647 1.00 0.00 C ATOM 0 H LEU A 87 90.546 -7.129 -4.666 1.00 0.00 H new ATOM 0 HA LEU A 87 92.733 -5.854 -6.070 1.00 0.00 H new ATOM 0 HB2 LEU A 87 90.374 -5.383 -6.567 1.00 0.00 H new ATOM 0 HB3 LEU A 87 90.093 -4.852 -4.920 1.00 0.00 H new ATOM 0 HG LEU A 87 91.684 -2.982 -5.204 1.00 0.00 H new ATOM 0 HD11 LEU A 87 92.723 -2.547 -7.412 1.00 0.00 H new ATOM 0 HD12 LEU A 87 93.258 -4.110 -6.750 1.00 0.00 H new ATOM 0 HD13 LEU A 87 92.032 -4.063 -8.038 1.00 0.00 H new ATOM 0 HD21 LEU A 87 90.411 -1.706 -6.919 1.00 0.00 H new ATOM 0 HD22 LEU A 87 89.714 -3.226 -7.530 1.00 0.00 H new ATOM 0 HD23 LEU A 87 89.315 -2.659 -5.890 1.00 0.00 H new ATOM 1433 N ILE A 88 92.151 -5.151 -2.916 1.00 0.00 N ATOM 1434 CA ILE A 88 92.745 -4.531 -1.705 1.00 0.00 C ATOM 1435 C ILE A 88 94.031 -5.284 -1.366 1.00 0.00 C ATOM 1436 O ILE A 88 95.089 -4.705 -1.222 1.00 0.00 O ATOM 1437 CB ILE A 88 91.739 -4.664 -0.547 1.00 0.00 C ATOM 1438 CG1 ILE A 88 90.590 -3.641 -0.720 1.00 0.00 C ATOM 1439 CG2 ILE A 88 92.443 -4.454 0.805 1.00 0.00 C ATOM 1440 CD1 ILE A 88 90.965 -2.279 -0.120 1.00 0.00 C ATOM 0 H ILE A 88 91.278 -5.654 -2.756 1.00 0.00 H new ATOM 0 HA ILE A 88 92.969 -3.477 -1.872 1.00 0.00 H new ATOM 0 HB ILE A 88 91.319 -5.670 -0.564 1.00 0.00 H new ATOM 0 HG12 ILE A 88 90.360 -3.524 -1.779 1.00 0.00 H new ATOM 0 HG13 ILE A 88 89.688 -4.018 -0.238 1.00 0.00 H new ATOM 0 HG21 ILE A 88 91.717 -4.551 1.612 1.00 0.00 H new ATOM 0 HG22 ILE A 88 93.225 -5.203 0.928 1.00 0.00 H new ATOM 0 HG23 ILE A 88 92.886 -3.459 0.834 1.00 0.00 H new ATOM 0 HD11 ILE A 88 90.139 -1.581 -0.257 1.00 0.00 H new ATOM 0 HD12 ILE A 88 91.170 -2.394 0.944 1.00 0.00 H new ATOM 0 HD13 ILE A 88 91.853 -1.893 -0.621 1.00 0.00 H new ATOM 1452 N ALA A 89 93.937 -6.576 -1.246 1.00 0.00 N ATOM 1453 CA ALA A 89 95.141 -7.389 -0.923 1.00 0.00 C ATOM 1454 C ALA A 89 96.191 -7.172 -2.010 1.00 0.00 C ATOM 1455 O ALA A 89 97.353 -7.482 -1.840 1.00 0.00 O ATOM 1456 CB ALA A 89 94.756 -8.867 -0.876 1.00 0.00 C ATOM 0 H ALA A 89 93.074 -7.108 -1.358 1.00 0.00 H new ATOM 0 HA ALA A 89 95.543 -7.089 0.045 1.00 0.00 H new ATOM 0 HB1 ALA A 89 95.636 -9.465 -0.640 1.00 0.00 H new ATOM 0 HB2 ALA A 89 93.996 -9.021 -0.110 1.00 0.00 H new ATOM 0 HB3 ALA A 89 94.361 -9.171 -1.845 1.00 0.00 H new ATOM 1462 N GLY A 90 95.781 -6.654 -3.136 1.00 0.00 N ATOM 1463 CA GLY A 90 96.741 -6.427 -4.253 1.00 0.00 C ATOM 1464 C GLY A 90 97.449 -5.079 -4.092 1.00 0.00 C ATOM 1465 O GLY A 90 98.577 -4.917 -4.512 1.00 0.00 O ATOM 0 H GLY A 90 94.819 -6.377 -3.331 1.00 0.00 H new ATOM 0 HA2 GLY A 90 97.478 -7.230 -4.275 1.00 0.00 H new ATOM 0 HA3 GLY A 90 96.212 -6.454 -5.205 1.00 0.00 H new ATOM 1469 N TYR A 91 96.808 -4.102 -3.500 1.00 0.00 N ATOM 1470 CA TYR A 91 97.476 -2.773 -3.341 1.00 0.00 C ATOM 1471 C TYR A 91 98.342 -2.779 -2.079 1.00 0.00 C ATOM 1472 O TYR A 91 99.222 -1.959 -1.919 1.00 0.00 O ATOM 1473 CB TYR A 91 96.421 -1.662 -3.209 1.00 0.00 C ATOM 1474 CG TYR A 91 95.785 -1.331 -4.553 1.00 0.00 C ATOM 1475 CD1 TYR A 91 96.576 -0.955 -5.656 1.00 0.00 C ATOM 1476 CD2 TYR A 91 94.389 -1.370 -4.687 1.00 0.00 C ATOM 1477 CE1 TYR A 91 95.970 -0.633 -6.876 1.00 0.00 C ATOM 1478 CE2 TYR A 91 93.789 -1.044 -5.907 1.00 0.00 C ATOM 1479 CZ TYR A 91 94.578 -0.678 -7.002 1.00 0.00 C ATOM 1480 OH TYR A 91 93.983 -0.357 -8.205 1.00 0.00 O ATOM 0 H TYR A 91 95.862 -4.165 -3.124 1.00 0.00 H new ATOM 0 HA TYR A 91 98.095 -2.588 -4.219 1.00 0.00 H new ATOM 0 HB2 TYR A 91 95.648 -1.975 -2.507 1.00 0.00 H new ATOM 0 HB3 TYR A 91 96.884 -0.767 -2.795 1.00 0.00 H new ATOM 0 HD1 TYR A 91 97.651 -0.915 -5.560 1.00 0.00 H new ATOM 0 HD2 TYR A 91 93.775 -1.653 -3.844 1.00 0.00 H new ATOM 0 HE1 TYR A 91 96.579 -0.349 -7.722 1.00 0.00 H new ATOM 0 HE2 TYR A 91 92.714 -1.075 -6.004 1.00 0.00 H new ATOM 0 HH TYR A 91 93.010 -0.440 -8.121 1.00 0.00 H new ATOM 1490 N ILE A 92 98.093 -3.681 -1.178 1.00 0.00 N ATOM 1491 CA ILE A 92 98.894 -3.716 0.075 1.00 0.00 C ATOM 1492 C ILE A 92 100.269 -4.335 -0.189 1.00 0.00 C ATOM 1493 O ILE A 92 101.225 -4.067 0.511 1.00 0.00 O ATOM 1494 CB ILE A 92 98.149 -4.546 1.115 1.00 0.00 C ATOM 1495 CG1 ILE A 92 96.817 -3.857 1.431 1.00 0.00 C ATOM 1496 CG2 ILE A 92 98.997 -4.654 2.385 1.00 0.00 C ATOM 1497 CD1 ILE A 92 95.965 -4.761 2.321 1.00 0.00 C ATOM 0 H ILE A 92 97.370 -4.397 -1.253 1.00 0.00 H new ATOM 0 HA ILE A 92 99.036 -2.699 0.441 1.00 0.00 H new ATOM 0 HB ILE A 92 97.961 -5.549 0.731 1.00 0.00 H new ATOM 0 HG12 ILE A 92 96.999 -2.906 1.931 1.00 0.00 H new ATOM 0 HG13 ILE A 92 96.284 -3.634 0.507 1.00 0.00 H new ATOM 0 HG21 ILE A 92 98.465 -5.247 3.129 1.00 0.00 H new ATOM 0 HG22 ILE A 92 99.946 -5.135 2.149 1.00 0.00 H new ATOM 0 HG23 ILE A 92 99.185 -3.657 2.783 1.00 0.00 H new ATOM 0 HD11 ILE A 92 95.019 -4.266 2.543 1.00 0.00 H new ATOM 0 HD12 ILE A 92 95.771 -5.701 1.805 1.00 0.00 H new ATOM 0 HD13 ILE A 92 96.497 -4.961 3.251 1.00 0.00 H new ATOM 1509 N ASP A 93 100.374 -5.164 -1.189 1.00 0.00 N ATOM 1510 CA ASP A 93 101.683 -5.809 -1.498 1.00 0.00 C ATOM 1511 C ASP A 93 102.528 -4.880 -2.375 1.00 0.00 C ATOM 1512 O ASP A 93 103.728 -5.033 -2.481 1.00 0.00 O ATOM 1513 CB ASP A 93 101.429 -7.122 -2.242 1.00 0.00 C ATOM 1514 CG ASP A 93 100.955 -8.189 -1.253 1.00 0.00 C ATOM 1515 OD1 ASP A 93 100.711 -7.842 -0.109 1.00 0.00 O ATOM 1516 OD2 ASP A 93 100.845 -9.336 -1.657 1.00 0.00 O ATOM 0 H ASP A 93 99.607 -5.425 -1.809 1.00 0.00 H new ATOM 0 HA ASP A 93 102.219 -6.006 -0.570 1.00 0.00 H new ATOM 0 HB2 ASP A 93 100.679 -6.972 -3.018 1.00 0.00 H new ATOM 0 HB3 ASP A 93 102.341 -7.452 -2.739 1.00 0.00 H new ATOM 1521 N ILE A 94 101.908 -3.929 -3.016 1.00 0.00 N ATOM 1522 CA ILE A 94 102.668 -2.999 -3.901 1.00 0.00 C ATOM 1523 C ILE A 94 103.221 -1.829 -3.089 1.00 0.00 C ATOM 1524 O ILE A 94 104.219 -1.233 -3.441 1.00 0.00 O ATOM 1525 CB ILE A 94 101.739 -2.470 -4.990 1.00 0.00 C ATOM 1526 CG1 ILE A 94 101.197 -3.653 -5.800 1.00 0.00 C ATOM 1527 CG2 ILE A 94 102.524 -1.531 -5.908 1.00 0.00 C ATOM 1528 CD1 ILE A 94 100.104 -3.175 -6.758 1.00 0.00 C ATOM 0 H ILE A 94 100.904 -3.754 -2.966 1.00 0.00 H new ATOM 0 HA ILE A 94 103.501 -3.538 -4.354 1.00 0.00 H new ATOM 0 HB ILE A 94 100.909 -1.925 -4.542 1.00 0.00 H new ATOM 0 HG12 ILE A 94 102.006 -4.120 -6.362 1.00 0.00 H new ATOM 0 HG13 ILE A 94 100.796 -4.412 -5.128 1.00 0.00 H new ATOM 0 HG21 ILE A 94 101.865 -1.150 -6.688 1.00 0.00 H new ATOM 0 HG22 ILE A 94 102.917 -0.697 -5.326 1.00 0.00 H new ATOM 0 HG23 ILE A 94 103.350 -2.076 -6.365 1.00 0.00 H new ATOM 0 HD11 ILE A 94 99.725 -4.022 -7.329 1.00 0.00 H new ATOM 0 HD12 ILE A 94 99.290 -2.729 -6.187 1.00 0.00 H new ATOM 0 HD13 ILE A 94 100.518 -2.433 -7.441 1.00 0.00 H new ATOM 1540 N ILE A 95 102.579 -1.490 -2.010 1.00 0.00 N ATOM 1541 CA ILE A 95 103.066 -0.351 -1.177 1.00 0.00 C ATOM 1542 C ILE A 95 104.146 -0.836 -0.215 1.00 0.00 C ATOM 1543 O ILE A 95 105.001 -0.086 0.212 1.00 0.00 O ATOM 1544 CB ILE A 95 101.906 0.217 -0.362 1.00 0.00 C ATOM 1545 CG1 ILE A 95 101.239 -0.910 0.435 1.00 0.00 C ATOM 1546 CG2 ILE A 95 100.886 0.860 -1.301 1.00 0.00 C ATOM 1547 CD1 ILE A 95 99.991 -0.374 1.142 1.00 0.00 C ATOM 0 H ILE A 95 101.737 -1.951 -1.665 1.00 0.00 H new ATOM 0 HA ILE A 95 103.475 0.417 -1.834 1.00 0.00 H new ATOM 0 HB ILE A 95 102.283 0.971 0.329 1.00 0.00 H new ATOM 0 HG12 ILE A 95 100.968 -1.729 -0.232 1.00 0.00 H new ATOM 0 HG13 ILE A 95 101.938 -1.314 1.167 1.00 0.00 H new ATOM 0 HG21 ILE A 95 100.059 1.265 -0.718 1.00 0.00 H new ATOM 0 HG22 ILE A 95 101.363 1.664 -1.861 1.00 0.00 H new ATOM 0 HG23 ILE A 95 100.507 0.110 -1.995 1.00 0.00 H new ATOM 0 HD11 ILE A 95 99.520 -1.178 1.707 1.00 0.00 H new ATOM 0 HD12 ILE A 95 100.275 0.430 1.822 1.00 0.00 H new ATOM 0 HD13 ILE A 95 99.289 0.008 0.401 1.00 0.00 H new ATOM 1559 N LEU A 96 104.086 -2.080 0.154 1.00 0.00 N ATOM 1560 CA LEU A 96 105.077 -2.630 1.122 1.00 0.00 C ATOM 1561 C LEU A 96 106.366 -3.062 0.405 1.00 0.00 C ATOM 1562 O LEU A 96 107.444 -2.970 0.957 1.00 0.00 O ATOM 1563 CB LEU A 96 104.430 -3.837 1.829 1.00 0.00 C ATOM 1564 CG LEU A 96 103.731 -3.388 3.132 1.00 0.00 C ATOM 1565 CD1 LEU A 96 102.626 -4.386 3.494 1.00 0.00 C ATOM 1566 CD2 LEU A 96 104.753 -3.327 4.276 1.00 0.00 C ATOM 0 H LEU A 96 103.388 -2.748 -0.174 1.00 0.00 H new ATOM 0 HA LEU A 96 105.348 -1.863 1.847 1.00 0.00 H new ATOM 0 HB2 LEU A 96 103.706 -4.310 1.165 1.00 0.00 H new ATOM 0 HB3 LEU A 96 105.191 -4.584 2.056 1.00 0.00 H new ATOM 0 HG LEU A 96 103.296 -2.400 2.981 1.00 0.00 H new ATOM 0 HD11 LEU A 96 102.135 -4.067 4.413 1.00 0.00 H new ATOM 0 HD12 LEU A 96 101.894 -4.427 2.687 1.00 0.00 H new ATOM 0 HD13 LEU A 96 103.062 -5.374 3.640 1.00 0.00 H new ATOM 0 HD21 LEU A 96 104.255 -3.010 5.192 1.00 0.00 H new ATOM 0 HD22 LEU A 96 105.192 -4.313 4.424 1.00 0.00 H new ATOM 0 HD23 LEU A 96 105.538 -2.614 4.025 1.00 0.00 H new ATOM 1681 N TRP B 2 88.561 -15.490 8.656 1.00 0.00 N ATOM 1682 CA TRP B 2 88.892 -14.067 8.347 1.00 0.00 C ATOM 1683 C TRP B 2 90.165 -14.018 7.492 1.00 0.00 C ATOM 1684 O TRP B 2 90.642 -15.023 7.002 1.00 0.00 O ATOM 1685 CB TRP B 2 89.117 -13.295 9.666 1.00 0.00 C ATOM 1686 CG TRP B 2 87.825 -12.730 10.169 1.00 0.00 C ATOM 1687 CD1 TRP B 2 86.912 -13.409 10.897 1.00 0.00 C ATOM 1688 CD2 TRP B 2 87.297 -11.383 9.999 1.00 0.00 C ATOM 1689 NE1 TRP B 2 85.854 -12.565 11.185 1.00 0.00 N ATOM 1690 CE2 TRP B 2 86.045 -11.306 10.653 1.00 0.00 C ATOM 1691 CE3 TRP B 2 87.778 -10.233 9.347 1.00 0.00 C ATOM 1692 CZ2 TRP B 2 85.297 -10.128 10.660 1.00 0.00 C ATOM 1693 CZ3 TRP B 2 87.027 -9.046 9.352 1.00 0.00 C ATOM 1694 CH2 TRP B 2 85.790 -8.995 10.007 1.00 0.00 C ATOM 0 HA TRP B 2 88.070 -13.608 7.798 1.00 0.00 H new ATOM 0 HB2 TRP B 2 89.546 -13.960 10.415 1.00 0.00 H new ATOM 0 HB3 TRP B 2 89.835 -12.491 9.506 1.00 0.00 H new ATOM 0 HD1 TRP B 2 86.994 -14.441 11.204 1.00 0.00 H new ATOM 0 HE1 TRP B 2 85.033 -12.840 11.725 1.00 0.00 H new ATOM 0 HE3 TRP B 2 88.731 -10.263 8.839 1.00 0.00 H new ATOM 0 HZ2 TRP B 2 84.344 -10.092 11.166 1.00 0.00 H new ATOM 0 HZ3 TRP B 2 87.405 -8.169 8.848 1.00 0.00 H new ATOM 0 HH2 TRP B 2 85.217 -8.080 10.007 1.00 0.00 H new ATOM 1705 N VAL B 3 90.711 -12.847 7.317 1.00 0.00 N ATOM 1706 CA VAL B 3 91.947 -12.692 6.508 1.00 0.00 C ATOM 1707 C VAL B 3 92.687 -11.449 7.009 1.00 0.00 C ATOM 1708 O VAL B 3 92.076 -10.472 7.393 1.00 0.00 O ATOM 1709 CB VAL B 3 91.573 -12.544 5.027 1.00 0.00 C ATOM 1710 CG1 VAL B 3 90.404 -11.574 4.886 1.00 0.00 C ATOM 1711 CG2 VAL B 3 92.775 -12.017 4.236 1.00 0.00 C ATOM 0 H VAL B 3 90.345 -11.979 7.708 1.00 0.00 H new ATOM 0 HA VAL B 3 92.591 -13.566 6.609 1.00 0.00 H new ATOM 0 HB VAL B 3 91.284 -13.519 4.634 1.00 0.00 H new ATOM 0 HG11 VAL B 3 90.141 -11.471 3.833 1.00 0.00 H new ATOM 0 HG12 VAL B 3 89.546 -11.956 5.439 1.00 0.00 H new ATOM 0 HG13 VAL B 3 90.689 -10.601 5.285 1.00 0.00 H new ATOM 0 HG21 VAL B 3 92.503 -11.914 3.186 1.00 0.00 H new ATOM 0 HG22 VAL B 3 93.072 -11.045 4.630 1.00 0.00 H new ATOM 0 HG23 VAL B 3 93.606 -12.716 4.329 1.00 0.00 H new ATOM 1745 N SER B 5 96.635 -8.948 6.769 1.00 0.00 N ATOM 1746 CA SER B 5 97.553 -8.363 5.745 1.00 0.00 C ATOM 1747 C SER B 5 98.974 -8.296 6.343 1.00 0.00 C ATOM 1748 O SER B 5 99.117 -8.297 7.549 1.00 0.00 O ATOM 1749 CB SER B 5 97.064 -6.946 5.397 1.00 0.00 C ATOM 1750 OG SER B 5 97.916 -5.982 6.004 1.00 0.00 O ATOM 0 HA SER B 5 97.565 -8.974 4.842 1.00 0.00 H new ATOM 0 HB2 SER B 5 97.056 -6.809 4.316 1.00 0.00 H new ATOM 0 HB3 SER B 5 96.039 -6.809 5.743 1.00 0.00 H new ATOM 0 HG SER B 5 97.829 -6.036 6.979 1.00 0.00 H new ATOM 1756 N PRO B 6 99.989 -8.229 5.502 1.00 0.00 N ATOM 1757 CA PRO B 6 101.379 -8.149 5.991 1.00 0.00 C ATOM 1758 C PRO B 6 101.563 -6.872 6.828 1.00 0.00 C ATOM 1759 O PRO B 6 102.414 -6.804 7.693 1.00 0.00 O ATOM 1760 CB PRO B 6 102.251 -8.116 4.713 1.00 0.00 C ATOM 1761 CG PRO B 6 101.285 -8.028 3.496 1.00 0.00 C ATOM 1762 CD PRO B 6 99.850 -8.229 4.028 1.00 0.00 C ATOM 0 HA PRO B 6 101.651 -8.986 6.634 1.00 0.00 H new ATOM 0 HB2 PRO B 6 102.926 -7.260 4.730 1.00 0.00 H new ATOM 0 HB3 PRO B 6 102.871 -9.010 4.648 1.00 0.00 H new ATOM 0 HG2 PRO B 6 101.379 -7.061 3.001 1.00 0.00 H new ATOM 0 HG3 PRO B 6 101.530 -8.790 2.756 1.00 0.00 H new ATOM 0 HD2 PRO B 6 99.189 -7.430 3.693 1.00 0.00 H new ATOM 0 HD3 PRO B 6 99.424 -9.166 3.671 1.00 0.00 H new ATOM 1770 N LEU B 7 100.774 -5.860 6.571 1.00 0.00 N ATOM 1771 CA LEU B 7 100.904 -4.592 7.344 1.00 0.00 C ATOM 1772 C LEU B 7 100.980 -4.904 8.843 1.00 0.00 C ATOM 1773 O LEU B 7 101.317 -4.056 9.645 1.00 0.00 O ATOM 1774 CB LEU B 7 99.687 -3.699 7.071 1.00 0.00 C ATOM 1775 CG LEU B 7 99.648 -3.287 5.584 1.00 0.00 C ATOM 1776 CD1 LEU B 7 98.210 -2.936 5.182 1.00 0.00 C ATOM 1777 CD2 LEU B 7 100.540 -2.058 5.353 1.00 0.00 C ATOM 0 H LEU B 7 100.045 -5.859 5.858 1.00 0.00 H new ATOM 0 HA LEU B 7 101.813 -4.076 7.036 1.00 0.00 H new ATOM 0 HB2 LEU B 7 98.772 -4.230 7.332 1.00 0.00 H new ATOM 0 HB3 LEU B 7 99.731 -2.810 7.701 1.00 0.00 H new ATOM 0 HG LEU B 7 100.010 -4.120 4.982 1.00 0.00 H new ATOM 0 HD11 LEU B 7 98.186 -2.646 4.132 1.00 0.00 H new ATOM 0 HD12 LEU B 7 97.568 -3.804 5.333 1.00 0.00 H new ATOM 0 HD13 LEU B 7 97.852 -2.109 5.795 1.00 0.00 H new ATOM 0 HD21 LEU B 7 100.505 -1.776 4.301 1.00 0.00 H new ATOM 0 HD22 LEU B 7 100.182 -1.229 5.963 1.00 0.00 H new ATOM 0 HD23 LEU B 7 101.567 -2.296 5.631 1.00 0.00 H new