USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 468 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 Single : A 1 GLY N :NH3+ -115:sc= 0.0725 (180deg=0) USER MOD Single : A 2 SER OG : rot -19:sc= 0.727 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 14 LYS NZ :NH3+ -175:sc= -0.774 (180deg=-0.8) USER MOD Single : A 19 LYS NZ :NH3+ -161:sc= 0.165 (180deg=0.0585) USER MOD Single : A 20 ASN : amide:sc= -3.21! C(o=-3.2!,f=-6.9!) USER MOD Single : A 22 MET CE :methyl 176:sc= -0.244 (180deg=-0.299) USER MOD Single : A 24 GLN : amide:sc= -1.26 K(o=-1.3,f=-6!) USER MOD Single : A 31 GLN : amide:sc= -6.34! C(o=-6.3!,f=-12!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -160:sc= -0.0205 (180deg=-0.374) USER MOD Single : A 39 SER OG : rot -35:sc= 0.448 USER MOD Single : A 40 GLN : amide:sc= -0.143 K(o=-0.14,f=-1.6!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -7.05! C(o=-7.1!,f=-18!) USER MOD Single : A 53 ASN : amide:sc= -0.138 K(o=-0.14,f=-0.79!) USER MOD Single : A 55 ASN : amide:sc= -0.0878 X(o=-0.088,f=-0.056) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot -140:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.764 8.948 19.880 1.00 0.00 N ATOM 2 CA GLY A 1 -10.368 10.249 19.663 1.00 0.00 C ATOM 3 C GLY A 1 -10.384 10.644 18.200 1.00 0.00 C ATOM 4 O GLY A 1 -9.668 10.062 17.385 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.481 8.289 20.244 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.386 8.587 18.981 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.991 9.035 20.571 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.389 10.240 20.045 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.821 11.000 20.233 1.00 0.00 H new ATOM 8 N SER A 2 -11.205 11.635 17.865 1.00 0.00 N ATOM 9 CA SER A 2 -11.315 12.103 16.488 1.00 0.00 C ATOM 10 C SER A 2 -11.847 13.532 16.442 1.00 0.00 C ATOM 11 O SER A 2 -12.408 14.029 17.418 1.00 0.00 O ATOM 12 CB SER A 2 -12.233 11.179 15.685 1.00 0.00 C ATOM 13 OG SER A 2 -11.763 9.843 15.714 1.00 0.00 O ATOM 0 H SER A 2 -11.803 12.129 18.528 1.00 0.00 H new ATOM 0 HA SER A 2 -10.319 12.089 16.044 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.243 11.221 16.092 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.290 11.525 14.653 1.00 0.00 H new ATOM 0 HG SER A 2 -10.818 9.834 15.974 1.00 0.00 H new ATOM 19 N SER A 3 -11.666 14.188 15.300 1.00 0.00 N ATOM 20 CA SER A 3 -12.123 15.561 15.126 1.00 0.00 C ATOM 21 C SER A 3 -12.840 15.730 13.790 1.00 0.00 C ATOM 22 O SER A 3 -12.480 15.102 12.795 1.00 0.00 O ATOM 23 CB SER A 3 -10.941 16.529 15.209 1.00 0.00 C ATOM 24 OG SER A 3 -10.031 16.315 14.144 1.00 0.00 O ATOM 0 H SER A 3 -11.206 13.790 14.481 1.00 0.00 H new ATOM 0 HA SER A 3 -12.826 15.788 15.927 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.305 17.556 15.180 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.427 16.400 16.162 1.00 0.00 H new ATOM 0 HG SER A 3 -9.286 16.947 14.219 1.00 0.00 H new ATOM 30 N GLY A 4 -13.860 16.584 13.776 1.00 0.00 N ATOM 31 CA GLY A 4 -14.613 16.820 12.558 1.00 0.00 C ATOM 32 C GLY A 4 -14.520 18.259 12.089 1.00 0.00 C ATOM 33 O GLY A 4 -15.538 18.918 11.883 1.00 0.00 O ATOM 0 H GLY A 4 -14.178 17.116 14.586 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.244 16.160 11.773 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -15.659 16.562 12.725 1.00 0.00 H new ATOM 37 N SER A 5 -13.295 18.748 11.923 1.00 0.00 N ATOM 38 CA SER A 5 -13.073 20.119 11.481 1.00 0.00 C ATOM 39 C SER A 5 -12.995 20.194 9.959 1.00 0.00 C ATOM 40 O SER A 5 -11.932 19.994 9.371 1.00 0.00 O ATOM 41 CB SER A 5 -11.787 20.674 12.097 1.00 0.00 C ATOM 42 OG SER A 5 -11.945 20.907 13.486 1.00 0.00 O ATOM 0 H SER A 5 -12.441 18.215 12.088 1.00 0.00 H new ATOM 0 HA SER A 5 -13.917 20.723 11.814 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.970 19.972 11.934 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.513 21.604 11.598 1.00 0.00 H new ATOM 0 HG SER A 5 -11.109 21.260 13.856 1.00 0.00 H new ATOM 48 N SER A 6 -14.128 20.484 9.329 1.00 0.00 N ATOM 49 CA SER A 6 -14.191 20.581 7.875 1.00 0.00 C ATOM 50 C SER A 6 -13.247 21.665 7.362 1.00 0.00 C ATOM 51 O SER A 6 -12.934 22.619 8.073 1.00 0.00 O ATOM 52 CB SER A 6 -15.622 20.881 7.424 1.00 0.00 C ATOM 53 OG SER A 6 -16.526 19.907 7.916 1.00 0.00 O ATOM 0 H SER A 6 -15.015 20.656 9.802 1.00 0.00 H new ATOM 0 HA SER A 6 -13.879 19.624 7.458 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.919 21.869 7.777 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.666 20.906 6.335 1.00 0.00 H new ATOM 0 HG SER A 6 -17.434 20.122 7.616 1.00 0.00 H new ATOM 59 N GLY A 7 -12.795 21.508 6.122 1.00 0.00 N ATOM 60 CA GLY A 7 -11.890 22.479 5.534 1.00 0.00 C ATOM 61 C GLY A 7 -11.495 22.119 4.115 1.00 0.00 C ATOM 62 O GLY A 7 -11.312 20.945 3.794 1.00 0.00 O ATOM 0 H GLY A 7 -13.039 20.726 5.514 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.363 23.461 5.538 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.993 22.555 6.149 1.00 0.00 H new ATOM 66 N PHE A 8 -11.365 23.131 3.264 1.00 0.00 N ATOM 67 CA PHE A 8 -10.992 22.915 1.871 1.00 0.00 C ATOM 68 C PHE A 8 -9.705 22.101 1.773 1.00 0.00 C ATOM 69 O PHE A 8 -8.820 22.212 2.622 1.00 0.00 O ATOM 70 CB PHE A 8 -10.817 24.255 1.153 1.00 0.00 C ATOM 71 CG PHE A 8 -9.612 25.026 1.609 1.00 0.00 C ATOM 72 CD1 PHE A 8 -8.348 24.700 1.143 1.00 0.00 C ATOM 73 CD2 PHE A 8 -9.742 26.077 2.503 1.00 0.00 C ATOM 74 CE1 PHE A 8 -7.236 25.408 1.560 1.00 0.00 C ATOM 75 CE2 PHE A 8 -8.634 26.788 2.922 1.00 0.00 C ATOM 76 CZ PHE A 8 -7.379 26.453 2.452 1.00 0.00 C ATOM 0 H PHE A 8 -11.512 24.109 3.514 1.00 0.00 H new ATOM 0 HA PHE A 8 -11.794 22.355 1.389 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -10.740 24.076 0.081 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -11.708 24.862 1.311 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -8.230 23.883 0.446 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -10.720 26.343 2.876 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -6.257 25.144 1.189 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -8.749 27.606 3.617 1.00 0.00 H new ATOM 0 HZ PHE A 8 -6.512 27.007 2.781 1.00 0.00 H new ATOM 86 N LYS A 9 -9.607 21.283 0.731 1.00 0.00 N ATOM 87 CA LYS A 9 -8.429 20.450 0.519 1.00 0.00 C ATOM 88 C LYS A 9 -7.417 21.157 -0.377 1.00 0.00 C ATOM 89 O LYS A 9 -7.711 22.202 -0.958 1.00 0.00 O ATOM 90 CB LYS A 9 -8.831 19.111 -0.105 1.00 0.00 C ATOM 91 CG LYS A 9 -9.219 19.215 -1.570 1.00 0.00 C ATOM 92 CD LYS A 9 -10.178 18.107 -1.973 1.00 0.00 C ATOM 93 CE LYS A 9 -9.450 16.787 -2.174 1.00 0.00 C ATOM 94 NZ LYS A 9 -10.397 15.663 -2.418 1.00 0.00 N ATOM 0 H LYS A 9 -10.330 21.179 0.019 1.00 0.00 H new ATOM 0 HA LYS A 9 -7.965 20.267 1.488 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.002 18.410 -0.006 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -9.668 18.695 0.455 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -9.682 20.184 -1.757 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -8.323 19.165 -2.189 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -10.943 17.989 -1.205 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -10.691 18.385 -2.894 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -8.765 16.875 -3.018 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -8.845 16.568 -1.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -9.862 14.781 -2.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -11.034 15.563 -1.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -10.957 15.860 -3.272 1.00 0.00 H new ATOM 108 N ARG A 10 -6.225 20.579 -0.486 1.00 0.00 N ATOM 109 CA ARG A 10 -5.170 21.155 -1.311 1.00 0.00 C ATOM 110 C ARG A 10 -5.055 20.414 -2.640 1.00 0.00 C ATOM 111 O ARG A 10 -5.463 19.259 -2.757 1.00 0.00 O ATOM 112 CB ARG A 10 -3.831 21.107 -0.572 1.00 0.00 C ATOM 113 CG ARG A 10 -3.589 22.309 0.327 1.00 0.00 C ATOM 114 CD ARG A 10 -3.147 23.523 -0.475 1.00 0.00 C ATOM 115 NE ARG A 10 -3.069 24.725 0.351 1.00 0.00 N ATOM 116 CZ ARG A 10 -2.390 25.813 0.003 1.00 0.00 C ATOM 117 NH1 ARG A 10 -1.734 25.849 -1.148 1.00 0.00 N ATOM 118 NH2 ARG A 10 -2.366 26.867 0.808 1.00 0.00 N ATOM 0 H ARG A 10 -5.966 19.713 -0.014 1.00 0.00 H new ATOM 0 HA ARG A 10 -5.428 22.194 -1.514 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -3.790 20.199 0.030 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -3.024 21.042 -1.302 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -4.502 22.545 0.874 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -2.828 22.064 1.068 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.173 23.327 -0.923 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.846 23.691 -1.294 1.00 0.00 H new ATOM 0 HE ARG A 10 -3.563 24.730 1.244 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -1.749 25.040 -1.769 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -1.214 26.685 -1.413 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -2.869 26.843 1.695 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -1.845 27.702 0.540 1.00 0.00 H new ATOM 132 N LYS A 11 -4.498 21.088 -3.641 1.00 0.00 N ATOM 133 CA LYS A 11 -4.328 20.496 -4.962 1.00 0.00 C ATOM 134 C LYS A 11 -2.964 19.824 -5.086 1.00 0.00 C ATOM 135 O LYS A 11 -2.006 20.428 -5.566 1.00 0.00 O ATOM 136 CB LYS A 11 -4.482 21.565 -6.046 1.00 0.00 C ATOM 137 CG LYS A 11 -5.928 21.882 -6.387 1.00 0.00 C ATOM 138 CD LYS A 11 -6.558 22.795 -5.348 1.00 0.00 C ATOM 139 CE LYS A 11 -6.291 24.260 -5.659 1.00 0.00 C ATOM 140 NZ LYS A 11 -6.550 25.133 -4.481 1.00 0.00 N ATOM 0 H LYS A 11 -4.156 22.046 -3.562 1.00 0.00 H new ATOM 0 HA LYS A 11 -5.100 19.738 -5.095 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.987 22.478 -5.717 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.969 21.232 -6.948 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.976 22.357 -7.367 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.499 20.956 -6.453 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -7.633 22.620 -5.312 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.162 22.553 -4.362 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.256 24.380 -5.980 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.921 24.576 -6.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.357 26.123 -4.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.544 25.038 -4.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.931 24.849 -3.695 1.00 0.00 H new ATOM 154 N ALA A 12 -2.886 18.570 -4.651 1.00 0.00 N ATOM 155 CA ALA A 12 -1.641 17.816 -4.717 1.00 0.00 C ATOM 156 C ALA A 12 -1.854 16.366 -4.295 1.00 0.00 C ATOM 157 O ALA A 12 -2.919 16.006 -3.794 1.00 0.00 O ATOM 158 CB ALA A 12 -0.580 18.471 -3.846 1.00 0.00 C ATOM 0 H ALA A 12 -3.670 18.056 -4.250 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.298 17.819 -5.752 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.345 17.897 -3.905 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -0.399 19.487 -4.196 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.924 18.499 -2.812 1.00 0.00 H new ATOM 164 N ASN A 13 -0.835 15.538 -4.500 1.00 0.00 N ATOM 165 CA ASN A 13 -0.912 14.127 -4.141 1.00 0.00 C ATOM 166 C ASN A 13 0.178 13.760 -3.138 1.00 0.00 C ATOM 167 O ASN A 13 1.211 13.200 -3.504 1.00 0.00 O ATOM 168 CB ASN A 13 -0.786 13.254 -5.391 1.00 0.00 C ATOM 169 CG ASN A 13 -1.710 13.703 -6.506 1.00 0.00 C ATOM 170 OD1 ASN A 13 -1.392 14.623 -7.259 1.00 0.00 O ATOM 171 ND2 ASN A 13 -2.863 13.053 -6.616 1.00 0.00 N ATOM 0 H ASN A 13 0.054 15.820 -4.913 1.00 0.00 H new ATOM 0 HA ASN A 13 -1.882 13.948 -3.677 1.00 0.00 H new ATOM 0 HB2 ASN A 13 0.245 13.278 -5.745 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -1.010 12.219 -5.132 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -3.526 13.311 -7.347 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -3.085 12.296 -5.969 1.00 0.00 H new ATOM 178 N LYS A 14 -0.061 14.079 -1.871 1.00 0.00 N ATOM 179 CA LYS A 14 0.898 13.783 -0.813 1.00 0.00 C ATOM 180 C LYS A 14 0.714 12.360 -0.295 1.00 0.00 C ATOM 181 O LYS A 14 1.684 11.624 -0.117 1.00 0.00 O ATOM 182 CB LYS A 14 0.745 14.780 0.337 1.00 0.00 C ATOM 183 CG LYS A 14 1.588 14.440 1.554 1.00 0.00 C ATOM 184 CD LYS A 14 1.256 15.340 2.732 1.00 0.00 C ATOM 185 CE LYS A 14 2.045 14.949 3.972 1.00 0.00 C ATOM 186 NZ LYS A 14 1.599 13.640 4.524 1.00 0.00 N ATOM 0 H LYS A 14 -0.911 14.543 -1.551 1.00 0.00 H new ATOM 0 HA LYS A 14 1.901 13.872 -1.231 1.00 0.00 H new ATOM 0 HB2 LYS A 14 1.017 15.774 -0.017 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.303 14.823 0.632 1.00 0.00 H new ATOM 0 HG2 LYS A 14 1.423 13.399 1.833 1.00 0.00 H new ATOM 0 HG3 LYS A 14 2.645 14.540 1.305 1.00 0.00 H new ATOM 0 HD2 LYS A 14 1.474 16.376 2.472 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.189 15.283 2.946 1.00 0.00 H new ATOM 0 HE2 LYS A 14 3.106 14.897 3.726 1.00 0.00 H new ATOM 0 HE3 LYS A 14 1.932 15.721 4.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 2.101 13.449 5.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.575 13.670 4.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 1.809 12.885 3.840 1.00 0.00 H new ATOM 200 N GLU A 15 -0.538 11.980 -0.055 1.00 0.00 N ATOM 201 CA GLU A 15 -0.848 10.645 0.443 1.00 0.00 C ATOM 202 C GLU A 15 -0.027 9.587 -0.289 1.00 0.00 C ATOM 203 O GLU A 15 0.501 8.660 0.326 1.00 0.00 O ATOM 204 CB GLU A 15 -2.341 10.350 0.280 1.00 0.00 C ATOM 205 CG GLU A 15 -2.890 9.397 1.328 1.00 0.00 C ATOM 206 CD GLU A 15 -4.179 8.729 0.890 1.00 0.00 C ATOM 207 OE1 GLU A 15 -4.230 8.230 -0.253 1.00 0.00 O ATOM 208 OE2 GLU A 15 -5.136 8.705 1.692 1.00 0.00 O ATOM 0 H GLU A 15 -1.353 12.577 -0.197 1.00 0.00 H new ATOM 0 HA GLU A 15 -0.591 10.611 1.502 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.895 11.287 0.327 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.513 9.927 -0.710 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.144 8.632 1.545 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.065 9.943 2.255 1.00 0.00 H new ATOM 215 N LEU A 16 0.076 9.733 -1.606 1.00 0.00 N ATOM 216 CA LEU A 16 0.832 8.791 -2.423 1.00 0.00 C ATOM 217 C LEU A 16 2.326 8.891 -2.129 1.00 0.00 C ATOM 218 O LEU A 16 3.050 7.900 -2.205 1.00 0.00 O ATOM 219 CB LEU A 16 0.575 9.052 -3.908 1.00 0.00 C ATOM 220 CG LEU A 16 -0.612 8.311 -4.524 1.00 0.00 C ATOM 221 CD1 LEU A 16 -1.875 8.558 -3.713 1.00 0.00 C ATOM 222 CD2 LEU A 16 -0.814 8.735 -5.971 1.00 0.00 C ATOM 0 H LEU A 16 -0.355 10.495 -2.130 1.00 0.00 H new ATOM 0 HA LEU A 16 0.498 7.784 -2.174 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.421 10.122 -4.047 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.473 8.784 -4.464 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.397 7.243 -4.507 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.709 8.023 -4.167 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.728 8.203 -2.693 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.094 9.626 -3.697 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.663 8.197 -6.393 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.007 9.807 -6.013 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.083 8.505 -6.546 1.00 0.00 H new ATOM 234 N GLU A 17 2.778 10.095 -1.791 1.00 0.00 N ATOM 235 CA GLU A 17 4.185 10.323 -1.484 1.00 0.00 C ATOM 236 C GLU A 17 4.557 9.701 -0.142 1.00 0.00 C ATOM 237 O GLU A 17 5.551 8.985 -0.033 1.00 0.00 O ATOM 238 CB GLU A 17 4.488 11.823 -1.465 1.00 0.00 C ATOM 239 CG GLU A 17 5.943 12.153 -1.754 1.00 0.00 C ATOM 240 CD GLU A 17 6.290 13.593 -1.430 1.00 0.00 C ATOM 241 OE1 GLU A 17 5.781 14.112 -0.415 1.00 0.00 O ATOM 242 OE2 GLU A 17 7.072 14.200 -2.191 1.00 0.00 O ATOM 0 H GLU A 17 2.191 10.926 -1.723 1.00 0.00 H new ATOM 0 HA GLU A 17 4.782 9.848 -2.262 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.858 12.322 -2.201 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.219 12.227 -0.489 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.584 11.489 -1.174 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.153 11.960 -2.806 1.00 0.00 H new ATOM 249 N GLU A 18 3.750 9.981 0.877 1.00 0.00 N ATOM 250 CA GLU A 18 3.996 9.450 2.213 1.00 0.00 C ATOM 251 C GLU A 18 4.039 7.924 2.192 1.00 0.00 C ATOM 252 O GLU A 18 4.936 7.309 2.770 1.00 0.00 O ATOM 253 CB GLU A 18 2.912 9.927 3.183 1.00 0.00 C ATOM 254 CG GLU A 18 1.498 9.712 2.670 1.00 0.00 C ATOM 255 CD GLU A 18 0.445 10.234 3.627 1.00 0.00 C ATOM 256 OE1 GLU A 18 0.710 11.247 4.307 1.00 0.00 O ATOM 257 OE2 GLU A 18 -0.646 9.629 3.695 1.00 0.00 O ATOM 0 H GLU A 18 2.922 10.572 0.803 1.00 0.00 H new ATOM 0 HA GLU A 18 4.964 9.820 2.551 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.029 9.403 4.131 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.059 10.988 3.385 1.00 0.00 H new ATOM 0 HG2 GLU A 18 1.386 10.208 1.706 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.335 8.648 2.501 1.00 0.00 H new ATOM 264 N LYS A 19 3.064 7.319 1.524 1.00 0.00 N ATOM 265 CA LYS A 19 2.989 5.867 1.426 1.00 0.00 C ATOM 266 C LYS A 19 4.097 5.324 0.529 1.00 0.00 C ATOM 267 O LYS A 19 4.759 4.344 0.869 1.00 0.00 O ATOM 268 CB LYS A 19 1.623 5.441 0.881 1.00 0.00 C ATOM 269 CG LYS A 19 1.443 5.728 -0.600 1.00 0.00 C ATOM 270 CD LYS A 19 0.098 5.233 -1.104 1.00 0.00 C ATOM 271 CE LYS A 19 -1.053 5.993 -0.461 1.00 0.00 C ATOM 272 NZ LYS A 19 -2.319 5.834 -1.228 1.00 0.00 N ATOM 0 H LYS A 19 2.313 7.813 1.041 1.00 0.00 H new ATOM 0 HA LYS A 19 3.119 5.454 2.426 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.489 4.373 1.055 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.841 5.956 1.440 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.527 6.800 -0.777 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.243 5.249 -1.164 1.00 0.00 H new ATOM 0 HD2 LYS A 19 0.050 5.346 -2.187 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -0.003 4.169 -0.890 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -1.199 5.637 0.559 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.798 7.051 -0.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -2.981 6.593 -0.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -2.117 5.886 -2.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -2.746 4.912 -1.006 1.00 0.00 H new ATOM 286 N ASN A 20 4.294 5.968 -0.617 1.00 0.00 N ATOM 287 CA ASN A 20 5.323 5.550 -1.561 1.00 0.00 C ATOM 288 C ASN A 20 6.677 5.420 -0.869 1.00 0.00 C ATOM 289 O ASN A 20 7.463 4.526 -1.184 1.00 0.00 O ATOM 290 CB ASN A 20 5.422 6.550 -2.715 1.00 0.00 C ATOM 291 CG ASN A 20 4.357 6.323 -3.770 1.00 0.00 C ATOM 292 OD1 ASN A 20 3.254 5.867 -3.466 1.00 0.00 O ATOM 293 ND2 ASN A 20 4.682 6.642 -5.017 1.00 0.00 N ATOM 0 H ASN A 20 3.754 6.781 -0.914 1.00 0.00 H new ATOM 0 HA ASN A 20 5.042 4.574 -1.957 1.00 0.00 H new ATOM 0 HB2 ASN A 20 5.331 7.563 -2.323 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.407 6.473 -3.175 1.00 0.00 H new ATOM 0 HD21 ASN A 20 4.006 6.512 -5.769 1.00 0.00 H new ATOM 0 HD22 ASN A 20 5.608 7.017 -5.223 1.00 0.00 H new ATOM 300 N ARG A 21 6.941 6.316 0.076 1.00 0.00 N ATOM 301 CA ARG A 21 8.199 6.302 0.813 1.00 0.00 C ATOM 302 C ARG A 21 8.223 5.161 1.825 1.00 0.00 C ATOM 303 O ARG A 21 9.289 4.699 2.229 1.00 0.00 O ATOM 304 CB ARG A 21 8.411 7.638 1.528 1.00 0.00 C ATOM 305 CG ARG A 21 9.750 7.742 2.238 1.00 0.00 C ATOM 306 CD ARG A 21 9.954 9.122 2.844 1.00 0.00 C ATOM 307 NE ARG A 21 10.787 9.077 4.042 1.00 0.00 N ATOM 308 CZ ARG A 21 10.439 8.442 5.156 1.00 0.00 C ATOM 309 NH1 ARG A 21 9.279 7.803 5.223 1.00 0.00 N ATOM 310 NH2 ARG A 21 11.251 8.446 6.205 1.00 0.00 N ATOM 0 H ARG A 21 6.300 7.061 0.350 1.00 0.00 H new ATOM 0 HA ARG A 21 9.008 6.148 0.099 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.331 8.446 0.801 1.00 0.00 H new ATOM 0 HB3 ARG A 21 7.612 7.782 2.255 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.807 6.987 3.022 1.00 0.00 H new ATOM 0 HG3 ARG A 21 10.554 7.530 1.533 1.00 0.00 H new ATOM 0 HD2 ARG A 21 10.416 9.777 2.106 1.00 0.00 H new ATOM 0 HD3 ARG A 21 8.985 9.555 3.092 1.00 0.00 H new ATOM 0 HE ARG A 21 11.685 9.560 4.023 1.00 0.00 H new ATOM 0 HH11 ARG A 21 8.652 7.798 4.418 1.00 0.00 H new ATOM 0 HH12 ARG A 21 9.014 7.316 6.079 1.00 0.00 H new ATOM 0 HH21 ARG A 21 12.144 8.937 6.157 1.00 0.00 H new ATOM 0 HH22 ARG A 21 10.983 7.958 7.060 1.00 0.00 H new ATOM 324 N MET A 22 7.039 4.713 2.232 1.00 0.00 N ATOM 325 CA MET A 22 6.925 3.626 3.198 1.00 0.00 C ATOM 326 C MET A 22 7.084 2.272 2.513 1.00 0.00 C ATOM 327 O MET A 22 7.809 1.402 2.996 1.00 0.00 O ATOM 328 CB MET A 22 5.576 3.693 3.916 1.00 0.00 C ATOM 329 CG MET A 22 5.404 4.936 4.773 1.00 0.00 C ATOM 330 SD MET A 22 3.682 5.250 5.206 1.00 0.00 S ATOM 331 CE MET A 22 3.240 3.697 5.982 1.00 0.00 C ATOM 0 H MET A 22 6.146 5.085 1.908 1.00 0.00 H new ATOM 0 HA MET A 22 7.724 3.738 3.931 1.00 0.00 H new ATOM 0 HB2 MET A 22 4.777 3.659 3.175 1.00 0.00 H new ATOM 0 HB3 MET A 22 5.464 2.810 4.545 1.00 0.00 H new ATOM 0 HG2 MET A 22 5.990 4.827 5.686 1.00 0.00 H new ATOM 0 HG3 MET A 22 5.803 5.798 4.239 1.00 0.00 H new ATOM 0 HE1 MET A 22 2.223 3.760 6.368 1.00 0.00 H new ATOM 0 HE2 MET A 22 3.300 2.893 5.248 1.00 0.00 H new ATOM 0 HE3 MET A 22 3.928 3.491 6.802 1.00 0.00 H new ATOM 341 N LEU A 23 6.401 2.100 1.387 1.00 0.00 N ATOM 342 CA LEU A 23 6.466 0.851 0.636 1.00 0.00 C ATOM 343 C LEU A 23 7.863 0.632 0.065 1.00 0.00 C ATOM 344 O LEU A 23 8.359 -0.494 0.031 1.00 0.00 O ATOM 345 CB LEU A 23 5.435 0.859 -0.495 1.00 0.00 C ATOM 346 CG LEU A 23 3.968 0.907 -0.066 1.00 0.00 C ATOM 347 CD1 LEU A 23 3.070 1.169 -1.265 1.00 0.00 C ATOM 348 CD2 LEU A 23 3.573 -0.388 0.627 1.00 0.00 C ATOM 0 H LEU A 23 5.796 2.809 0.974 1.00 0.00 H new ATOM 0 HA LEU A 23 6.240 0.032 1.319 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.634 1.719 -1.135 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.586 -0.033 -1.103 1.00 0.00 H new ATOM 0 HG LEU A 23 3.842 1.727 0.641 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.030 1.200 -0.941 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.337 2.124 -1.718 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.198 0.372 -1.997 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.526 -0.336 0.925 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.714 -1.225 -0.057 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.195 -0.533 1.510 1.00 0.00 H new ATOM 360 N GLN A 24 8.491 1.714 -0.382 1.00 0.00 N ATOM 361 CA GLN A 24 9.832 1.639 -0.950 1.00 0.00 C ATOM 362 C GLN A 24 10.839 1.163 0.092 1.00 0.00 C ATOM 363 O GLN A 24 11.741 0.384 -0.214 1.00 0.00 O ATOM 364 CB GLN A 24 10.254 3.004 -1.498 1.00 0.00 C ATOM 365 CG GLN A 24 10.743 3.965 -0.426 1.00 0.00 C ATOM 366 CD GLN A 24 11.442 5.178 -1.006 1.00 0.00 C ATOM 367 OE1 GLN A 24 10.944 6.301 -0.911 1.00 0.00 O ATOM 368 NE2 GLN A 24 12.604 4.960 -1.611 1.00 0.00 N ATOM 0 H GLN A 24 8.093 2.653 -0.362 1.00 0.00 H new ATOM 0 HA GLN A 24 9.813 0.917 -1.767 1.00 0.00 H new ATOM 0 HB2 GLN A 24 11.045 2.862 -2.235 1.00 0.00 H new ATOM 0 HB3 GLN A 24 9.409 3.454 -2.020 1.00 0.00 H new ATOM 0 HG2 GLN A 24 9.896 4.292 0.177 1.00 0.00 H new ATOM 0 HG3 GLN A 24 11.427 3.441 0.242 1.00 0.00 H new ATOM 0 HE21 GLN A 24 12.980 4.014 -1.667 1.00 0.00 H new ATOM 0 HE22 GLN A 24 13.120 5.739 -2.020 1.00 0.00 H new ATOM 377 N GLU A 25 10.678 1.637 1.324 1.00 0.00 N ATOM 378 CA GLU A 25 11.574 1.260 2.410 1.00 0.00 C ATOM 379 C GLU A 25 11.161 -0.078 3.017 1.00 0.00 C ATOM 380 O GLU A 25 12.006 -0.867 3.439 1.00 0.00 O ATOM 381 CB GLU A 25 11.584 2.342 3.492 1.00 0.00 C ATOM 382 CG GLU A 25 12.567 3.468 3.217 1.00 0.00 C ATOM 383 CD GLU A 25 12.975 4.207 4.478 1.00 0.00 C ATOM 384 OE1 GLU A 25 13.404 3.540 5.442 1.00 0.00 O ATOM 385 OE2 GLU A 25 12.864 5.450 4.499 1.00 0.00 O ATOM 0 H GLU A 25 9.936 2.282 1.594 1.00 0.00 H new ATOM 0 HA GLU A 25 12.578 1.158 1.999 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.582 2.760 3.585 1.00 0.00 H new ATOM 0 HB3 GLU A 25 11.828 1.884 4.450 1.00 0.00 H new ATOM 0 HG2 GLU A 25 13.456 3.060 2.736 1.00 0.00 H new ATOM 0 HG3 GLU A 25 12.120 4.173 2.516 1.00 0.00 H new ATOM 392 N ASP A 26 9.856 -0.324 3.058 1.00 0.00 N ATOM 393 CA ASP A 26 9.330 -1.566 3.612 1.00 0.00 C ATOM 394 C ASP A 26 8.816 -2.480 2.505 1.00 0.00 C ATOM 395 O ASP A 26 7.628 -2.499 2.182 1.00 0.00 O ATOM 396 CB ASP A 26 8.207 -1.269 4.607 1.00 0.00 C ATOM 397 CG ASP A 26 7.734 -2.512 5.335 1.00 0.00 C ATOM 398 OD1 ASP A 26 8.014 -3.628 4.847 1.00 0.00 O ATOM 399 OD2 ASP A 26 7.086 -2.370 6.392 1.00 0.00 O ATOM 0 H ASP A 26 9.143 0.320 2.714 1.00 0.00 H new ATOM 0 HA ASP A 26 10.141 -2.076 4.132 1.00 0.00 H new ATOM 0 HB2 ASP A 26 8.555 -0.536 5.335 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.367 -0.819 4.078 1.00 0.00 H new ATOM 404 N PRO A 27 9.731 -3.258 1.907 1.00 0.00 N ATOM 405 CA PRO A 27 9.394 -4.189 0.826 1.00 0.00 C ATOM 406 C PRO A 27 8.566 -5.372 1.317 1.00 0.00 C ATOM 407 O PRO A 27 7.916 -6.058 0.528 1.00 0.00 O ATOM 408 CB PRO A 27 10.761 -4.663 0.327 1.00 0.00 C ATOM 409 CG PRO A 27 11.671 -4.492 1.494 1.00 0.00 C ATOM 410 CD PRO A 27 11.165 -3.288 2.240 1.00 0.00 C ATOM 0 HA PRO A 27 8.785 -3.716 0.056 1.00 0.00 H new ATOM 0 HB2 PRO A 27 10.725 -5.703 0.002 1.00 0.00 H new ATOM 0 HB3 PRO A 27 11.097 -4.074 -0.526 1.00 0.00 H new ATOM 0 HG2 PRO A 27 11.661 -5.377 2.130 1.00 0.00 H new ATOM 0 HG3 PRO A 27 12.701 -4.345 1.168 1.00 0.00 H new ATOM 0 HD2 PRO A 27 11.326 -3.384 3.314 1.00 0.00 H new ATOM 0 HD3 PRO A 27 11.671 -2.376 1.922 1.00 0.00 H new ATOM 418 N VAL A 28 8.595 -5.606 2.625 1.00 0.00 N ATOM 419 CA VAL A 28 7.846 -6.706 3.222 1.00 0.00 C ATOM 420 C VAL A 28 6.355 -6.394 3.266 1.00 0.00 C ATOM 421 O VAL A 28 5.525 -7.218 2.876 1.00 0.00 O ATOM 422 CB VAL A 28 8.339 -7.011 4.649 1.00 0.00 C ATOM 423 CG1 VAL A 28 7.524 -8.138 5.265 1.00 0.00 C ATOM 424 CG2 VAL A 28 9.820 -7.357 4.638 1.00 0.00 C ATOM 0 H VAL A 28 9.129 -5.049 3.292 1.00 0.00 H new ATOM 0 HA VAL A 28 8.013 -7.581 2.594 1.00 0.00 H new ATOM 0 HB VAL A 28 8.203 -6.119 5.261 1.00 0.00 H new ATOM 0 HG11 VAL A 28 7.886 -8.340 6.273 1.00 0.00 H new ATOM 0 HG12 VAL A 28 6.475 -7.847 5.308 1.00 0.00 H new ATOM 0 HG13 VAL A 28 7.626 -9.036 4.656 1.00 0.00 H new ATOM 0 HG21 VAL A 28 10.152 -7.570 5.654 1.00 0.00 H new ATOM 0 HG22 VAL A 28 9.984 -8.234 4.012 1.00 0.00 H new ATOM 0 HG23 VAL A 28 10.387 -6.516 4.240 1.00 0.00 H new ATOM 434 N LEU A 29 6.019 -5.201 3.743 1.00 0.00 N ATOM 435 CA LEU A 29 4.626 -4.779 3.838 1.00 0.00 C ATOM 436 C LEU A 29 3.936 -4.868 2.480 1.00 0.00 C ATOM 437 O LEU A 29 2.851 -5.438 2.360 1.00 0.00 O ATOM 438 CB LEU A 29 4.541 -3.349 4.373 1.00 0.00 C ATOM 439 CG LEU A 29 3.134 -2.766 4.510 1.00 0.00 C ATOM 440 CD1 LEU A 29 2.554 -3.086 5.879 1.00 0.00 C ATOM 441 CD2 LEU A 29 3.154 -1.262 4.275 1.00 0.00 C ATOM 0 H LEU A 29 6.692 -4.508 4.070 1.00 0.00 H new ATOM 0 HA LEU A 29 4.115 -5.450 4.529 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.022 -3.319 5.351 1.00 0.00 H new ATOM 0 HB3 LEU A 29 5.119 -2.701 3.714 1.00 0.00 H new ATOM 0 HG LEU A 29 2.497 -3.223 3.753 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.553 -2.663 5.958 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.503 -4.167 6.009 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.191 -2.658 6.653 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.144 -0.864 4.377 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.806 -0.788 5.008 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.526 -1.055 3.271 1.00 0.00 H new ATOM 453 N PHE A 30 4.573 -4.304 1.460 1.00 0.00 N ATOM 454 CA PHE A 30 4.022 -4.321 0.110 1.00 0.00 C ATOM 455 C PHE A 30 3.259 -5.617 -0.149 1.00 0.00 C ATOM 456 O PHE A 30 2.097 -5.594 -0.554 1.00 0.00 O ATOM 457 CB PHE A 30 5.139 -4.158 -0.922 1.00 0.00 C ATOM 458 CG PHE A 30 4.637 -3.878 -2.310 1.00 0.00 C ATOM 459 CD1 PHE A 30 3.679 -2.902 -2.530 1.00 0.00 C ATOM 460 CD2 PHE A 30 5.123 -4.592 -3.393 1.00 0.00 C ATOM 461 CE1 PHE A 30 3.215 -2.642 -3.806 1.00 0.00 C ATOM 462 CE2 PHE A 30 4.663 -4.336 -4.671 1.00 0.00 C ATOM 463 CZ PHE A 30 3.707 -3.360 -4.878 1.00 0.00 C ATOM 0 H PHE A 30 5.472 -3.829 1.542 1.00 0.00 H new ATOM 0 HA PHE A 30 3.327 -3.486 0.017 1.00 0.00 H new ATOM 0 HB2 PHE A 30 5.795 -3.345 -0.611 1.00 0.00 H new ATOM 0 HB3 PHE A 30 5.743 -5.066 -0.939 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.290 -2.338 -1.695 1.00 0.00 H new ATOM 0 HD2 PHE A 30 5.869 -5.357 -3.237 1.00 0.00 H new ATOM 0 HE1 PHE A 30 2.468 -1.878 -3.964 1.00 0.00 H new ATOM 0 HE2 PHE A 30 5.051 -4.899 -5.507 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.346 -3.159 -5.876 1.00 0.00 H new ATOM 473 N GLN A 31 3.923 -6.744 0.085 1.00 0.00 N ATOM 474 CA GLN A 31 3.309 -8.050 -0.125 1.00 0.00 C ATOM 475 C GLN A 31 1.888 -8.078 0.431 1.00 0.00 C ATOM 476 O GLN A 31 0.965 -8.565 -0.223 1.00 0.00 O ATOM 477 CB GLN A 31 4.149 -9.144 0.535 1.00 0.00 C ATOM 478 CG GLN A 31 3.788 -10.548 0.076 1.00 0.00 C ATOM 479 CD GLN A 31 2.293 -10.748 -0.068 1.00 0.00 C ATOM 480 OE1 GLN A 31 1.541 -10.623 0.900 1.00 0.00 O ATOM 481 NE2 GLN A 31 1.851 -11.062 -1.281 1.00 0.00 N ATOM 0 H GLN A 31 4.886 -6.779 0.420 1.00 0.00 H new ATOM 0 HA GLN A 31 3.264 -8.235 -1.198 1.00 0.00 H new ATOM 0 HB2 GLN A 31 5.202 -8.960 0.322 1.00 0.00 H new ATOM 0 HB3 GLN A 31 4.027 -9.082 1.616 1.00 0.00 H new ATOM 0 HG2 GLN A 31 4.271 -10.749 -0.880 1.00 0.00 H new ATOM 0 HG3 GLN A 31 4.180 -11.272 0.790 1.00 0.00 H new ATOM 0 HE21 GLN A 31 2.509 -11.156 -2.055 1.00 0.00 H new ATOM 0 HE22 GLN A 31 0.854 -11.209 -1.438 1.00 0.00 H new ATOM 490 N LEU A 32 1.721 -7.555 1.640 1.00 0.00 N ATOM 491 CA LEU A 32 0.412 -7.521 2.284 1.00 0.00 C ATOM 492 C LEU A 32 -0.579 -6.707 1.460 1.00 0.00 C ATOM 493 O LEU A 32 -1.616 -7.218 1.034 1.00 0.00 O ATOM 494 CB LEU A 32 0.529 -6.931 3.691 1.00 0.00 C ATOM 495 CG LEU A 32 1.261 -7.792 4.721 1.00 0.00 C ATOM 496 CD1 LEU A 32 2.597 -8.266 4.169 1.00 0.00 C ATOM 497 CD2 LEU A 32 1.460 -7.020 6.017 1.00 0.00 C ATOM 0 H LEU A 32 2.475 -7.149 2.194 1.00 0.00 H new ATOM 0 HA LEU A 32 0.043 -8.544 2.355 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.041 -5.971 3.619 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.475 -6.729 4.063 1.00 0.00 H new ATOM 0 HG LEU A 32 0.649 -8.668 4.934 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.103 -8.877 4.916 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.430 -8.858 3.269 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.217 -7.403 3.926 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.982 -7.648 6.738 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.051 -6.125 5.820 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.490 -6.733 6.422 1.00 0.00 H new ATOM 509 N TYR A 33 -0.254 -5.438 1.237 1.00 0.00 N ATOM 510 CA TYR A 33 -1.116 -4.553 0.463 1.00 0.00 C ATOM 511 C TYR A 33 -1.667 -5.267 -0.768 1.00 0.00 C ATOM 512 O TYR A 33 -2.813 -5.053 -1.164 1.00 0.00 O ATOM 513 CB TYR A 33 -0.347 -3.301 0.038 1.00 0.00 C ATOM 514 CG TYR A 33 -1.058 -2.481 -1.014 1.00 0.00 C ATOM 515 CD1 TYR A 33 -0.994 -2.831 -2.357 1.00 0.00 C ATOM 516 CD2 TYR A 33 -1.795 -1.356 -0.665 1.00 0.00 C ATOM 517 CE1 TYR A 33 -1.642 -2.085 -3.322 1.00 0.00 C ATOM 518 CE2 TYR A 33 -2.447 -0.604 -1.623 1.00 0.00 C ATOM 519 CZ TYR A 33 -2.367 -0.972 -2.950 1.00 0.00 C ATOM 520 OH TYR A 33 -3.015 -0.226 -3.908 1.00 0.00 O ATOM 0 H TYR A 33 0.600 -5.000 1.581 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.954 -4.260 1.096 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -0.171 -2.678 0.915 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.630 -3.597 -0.343 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -0.427 -3.702 -2.652 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -1.859 -1.064 0.373 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.581 -2.371 -4.362 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -3.016 0.267 -1.335 1.00 0.00 H new ATOM 0 HH TYR A 33 -3.480 0.523 -3.480 1.00 0.00 H new ATOM 530 N LYS A 34 -0.842 -6.117 -1.369 1.00 0.00 N ATOM 531 CA LYS A 34 -1.243 -6.866 -2.553 1.00 0.00 C ATOM 532 C LYS A 34 -2.137 -8.043 -2.176 1.00 0.00 C ATOM 533 O LYS A 34 -3.284 -8.130 -2.614 1.00 0.00 O ATOM 534 CB LYS A 34 -0.010 -7.369 -3.307 1.00 0.00 C ATOM 535 CG LYS A 34 0.751 -6.271 -4.029 1.00 0.00 C ATOM 536 CD LYS A 34 2.234 -6.590 -4.123 1.00 0.00 C ATOM 537 CE LYS A 34 2.504 -7.695 -5.132 1.00 0.00 C ATOM 538 NZ LYS A 34 2.448 -9.045 -4.504 1.00 0.00 N ATOM 0 H LYS A 34 0.110 -6.304 -1.055 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.808 -6.196 -3.201 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.660 -7.861 -2.603 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.320 -8.122 -4.032 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.341 -6.141 -5.031 1.00 0.00 H new ATOM 0 HG3 LYS A 34 0.614 -5.326 -3.504 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.783 -5.693 -4.409 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.605 -6.892 -3.144 1.00 0.00 H new ATOM 0 HE2 LYS A 34 1.772 -7.638 -5.937 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.485 -7.544 -5.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.953 -9.728 -5.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.896 -9.010 -3.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.456 -9.340 -4.403 1.00 0.00 H new ATOM 552 N ASP A 35 -1.604 -8.946 -1.359 1.00 0.00 N ATOM 553 CA ASP A 35 -2.355 -10.117 -0.921 1.00 0.00 C ATOM 554 C ASP A 35 -3.760 -9.726 -0.475 1.00 0.00 C ATOM 555 O ASP A 35 -4.666 -10.561 -0.437 1.00 0.00 O ATOM 556 CB ASP A 35 -1.621 -10.821 0.222 1.00 0.00 C ATOM 557 CG ASP A 35 -2.007 -12.281 0.346 1.00 0.00 C ATOM 558 OD1 ASP A 35 -2.094 -12.963 -0.698 1.00 0.00 O ATOM 559 OD2 ASP A 35 -2.221 -12.744 1.486 1.00 0.00 O ATOM 0 H ASP A 35 -0.656 -8.889 -0.987 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.439 -10.801 -1.765 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.546 -10.745 0.061 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -1.839 -10.310 1.160 1.00 0.00 H new ATOM 564 N LEU A 36 -3.936 -8.454 -0.137 1.00 0.00 N ATOM 565 CA LEU A 36 -5.231 -7.952 0.307 1.00 0.00 C ATOM 566 C LEU A 36 -5.911 -7.146 -0.796 1.00 0.00 C ATOM 567 O LEU A 36 -7.000 -7.494 -1.252 1.00 0.00 O ATOM 568 CB LEU A 36 -5.063 -7.086 1.557 1.00 0.00 C ATOM 569 CG LEU A 36 -4.321 -7.732 2.727 1.00 0.00 C ATOM 570 CD1 LEU A 36 -4.044 -6.707 3.815 1.00 0.00 C ATOM 571 CD2 LEU A 36 -5.119 -8.902 3.284 1.00 0.00 C ATOM 0 H LEU A 36 -3.198 -7.751 -0.162 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.862 -8.808 0.547 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.534 -6.176 1.275 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.052 -6.785 1.902 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.366 -8.110 2.362 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.515 -7.185 4.639 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.431 -5.902 3.409 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.987 -6.297 4.178 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.576 -9.350 4.116 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.089 -8.548 3.633 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.265 -9.648 2.503 1.00 0.00 H new ATOM 583 N VAL A 37 -5.259 -6.069 -1.223 1.00 0.00 N ATOM 584 CA VAL A 37 -5.798 -5.216 -2.275 1.00 0.00 C ATOM 585 C VAL A 37 -5.914 -5.975 -3.592 1.00 0.00 C ATOM 586 O VAL A 37 -6.992 -6.053 -4.183 1.00 0.00 O ATOM 587 CB VAL A 37 -4.922 -3.968 -2.490 1.00 0.00 C ATOM 588 CG1 VAL A 37 -5.559 -3.036 -3.509 1.00 0.00 C ATOM 589 CG2 VAL A 37 -4.687 -3.248 -1.170 1.00 0.00 C ATOM 0 H VAL A 37 -4.357 -5.767 -0.856 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.790 -4.902 -1.951 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.956 -4.287 -2.881 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.925 -2.160 -3.647 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.670 -3.557 -4.460 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.539 -2.721 -3.151 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.066 -2.369 -1.341 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.644 -2.940 -0.748 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.183 -3.919 -0.474 1.00 0.00 H new ATOM 599 N VAL A 38 -4.798 -6.534 -4.047 1.00 0.00 N ATOM 600 CA VAL A 38 -4.774 -7.289 -5.294 1.00 0.00 C ATOM 601 C VAL A 38 -5.726 -8.479 -5.235 1.00 0.00 C ATOM 602 O VAL A 38 -6.116 -9.026 -6.266 1.00 0.00 O ATOM 603 CB VAL A 38 -3.356 -7.796 -5.617 1.00 0.00 C ATOM 604 CG1 VAL A 38 -3.374 -8.682 -6.853 1.00 0.00 C ATOM 605 CG2 VAL A 38 -2.402 -6.626 -5.804 1.00 0.00 C ATOM 0 H VAL A 38 -3.898 -6.478 -3.571 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.096 -6.608 -6.082 1.00 0.00 H new ATOM 0 HB VAL A 38 -3.002 -8.393 -4.776 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.363 -9.031 -7.066 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.024 -9.539 -6.677 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.748 -8.112 -7.704 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.405 -7.002 -6.032 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.750 -6.001 -6.626 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.367 -6.035 -4.889 1.00 0.00 H new ATOM 615 N SER A 39 -6.096 -8.873 -4.021 1.00 0.00 N ATOM 616 CA SER A 39 -6.999 -10.001 -3.826 1.00 0.00 C ATOM 617 C SER A 39 -8.455 -9.551 -3.906 1.00 0.00 C ATOM 618 O SER A 39 -9.373 -10.355 -3.752 1.00 0.00 O ATOM 619 CB SER A 39 -6.734 -10.667 -2.475 1.00 0.00 C ATOM 620 OG SER A 39 -7.525 -11.832 -2.316 1.00 0.00 O ATOM 0 H SER A 39 -5.784 -8.428 -3.158 1.00 0.00 H new ATOM 0 HA SER A 39 -6.815 -10.723 -4.621 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.678 -10.927 -2.395 1.00 0.00 H new ATOM 0 HB3 SER A 39 -6.951 -9.964 -1.671 1.00 0.00 H new ATOM 0 HG SER A 39 -8.394 -11.699 -2.748 1.00 0.00 H new ATOM 626 N GLN A 40 -8.656 -8.259 -4.147 1.00 0.00 N ATOM 627 CA GLN A 40 -9.999 -7.701 -4.247 1.00 0.00 C ATOM 628 C GLN A 40 -10.774 -7.912 -2.951 1.00 0.00 C ATOM 629 O GLN A 40 -12.004 -7.954 -2.951 1.00 0.00 O ATOM 630 CB GLN A 40 -10.753 -8.337 -5.416 1.00 0.00 C ATOM 631 CG GLN A 40 -10.040 -8.193 -6.751 1.00 0.00 C ATOM 632 CD GLN A 40 -10.363 -6.885 -7.446 1.00 0.00 C ATOM 633 OE1 GLN A 40 -11.447 -6.328 -7.273 1.00 0.00 O ATOM 634 NE2 GLN A 40 -9.421 -6.387 -8.238 1.00 0.00 N ATOM 0 H GLN A 40 -7.906 -7.580 -4.276 1.00 0.00 H new ATOM 0 HA GLN A 40 -9.908 -6.629 -4.424 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -10.904 -9.396 -5.207 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.741 -7.883 -5.490 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -8.964 -8.260 -6.593 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -10.319 -9.023 -7.399 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -8.537 -6.882 -8.352 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -9.582 -5.509 -8.732 1.00 0.00 H new ATOM 643 N VAL A 41 -10.046 -8.045 -1.847 1.00 0.00 N ATOM 644 CA VAL A 41 -10.665 -8.251 -0.543 1.00 0.00 C ATOM 645 C VAL A 41 -11.016 -6.922 0.115 1.00 0.00 C ATOM 646 O VAL A 41 -12.068 -6.786 0.741 1.00 0.00 O ATOM 647 CB VAL A 41 -9.741 -9.049 0.397 1.00 0.00 C ATOM 648 CG1 VAL A 41 -10.271 -9.014 1.823 1.00 0.00 C ATOM 649 CG2 VAL A 41 -9.595 -10.483 -0.091 1.00 0.00 C ATOM 0 H VAL A 41 -9.027 -8.014 -1.830 1.00 0.00 H new ATOM 0 HA VAL A 41 -11.578 -8.821 -0.713 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.755 -8.584 0.390 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -9.606 -9.583 2.473 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -10.319 -7.981 2.168 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -11.268 -9.453 1.851 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -8.939 -11.032 0.585 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -10.574 -10.961 -0.114 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -9.167 -10.484 -1.093 1.00 0.00 H new ATOM 659 N ILE A 42 -10.129 -5.944 -0.030 1.00 0.00 N ATOM 660 CA ILE A 42 -10.346 -4.624 0.549 1.00 0.00 C ATOM 661 C ILE A 42 -9.885 -3.524 -0.401 1.00 0.00 C ATOM 662 O ILE A 42 -9.324 -3.800 -1.461 1.00 0.00 O ATOM 663 CB ILE A 42 -9.607 -4.470 1.892 1.00 0.00 C ATOM 664 CG1 ILE A 42 -8.113 -4.744 1.711 1.00 0.00 C ATOM 665 CG2 ILE A 42 -10.201 -5.407 2.933 1.00 0.00 C ATOM 666 CD1 ILE A 42 -7.271 -4.303 2.888 1.00 0.00 C ATOM 0 H ILE A 42 -9.253 -6.041 -0.544 1.00 0.00 H new ATOM 0 HA ILE A 42 -11.418 -4.527 0.720 1.00 0.00 H new ATOM 0 HB ILE A 42 -9.729 -3.445 2.242 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -7.965 -5.812 1.548 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -7.764 -4.233 0.813 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -9.669 -5.287 3.877 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -11.255 -5.169 3.078 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -10.106 -6.438 2.591 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -6.223 -4.528 2.690 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -7.390 -3.230 3.038 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -7.593 -4.833 3.785 1.00 0.00 H new ATOM 678 N SER A 43 -10.124 -2.275 -0.013 1.00 0.00 N ATOM 679 CA SER A 43 -9.735 -1.132 -0.831 1.00 0.00 C ATOM 680 C SER A 43 -8.438 -0.514 -0.319 1.00 0.00 C ATOM 681 O SER A 43 -8.143 -0.564 0.875 1.00 0.00 O ATOM 682 CB SER A 43 -10.847 -0.081 -0.838 1.00 0.00 C ATOM 683 OG SER A 43 -11.858 -0.414 -1.773 1.00 0.00 O ATOM 0 H SER A 43 -10.585 -2.029 0.863 1.00 0.00 H new ATOM 0 HA SER A 43 -9.572 -1.484 -1.850 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.281 -0.000 0.158 1.00 0.00 H new ATOM 0 HB3 SER A 43 -10.428 0.895 -1.083 1.00 0.00 H new ATOM 0 HG SER A 43 -12.557 0.272 -1.757 1.00 0.00 H new ATOM 689 N ALA A 44 -7.667 0.068 -1.231 1.00 0.00 N ATOM 690 CA ALA A 44 -6.402 0.698 -0.873 1.00 0.00 C ATOM 691 C ALA A 44 -6.545 1.532 0.396 1.00 0.00 C ATOM 692 O ALA A 44 -5.618 1.615 1.202 1.00 0.00 O ATOM 693 CB ALA A 44 -5.899 1.562 -2.020 1.00 0.00 C ATOM 0 H ALA A 44 -7.896 0.116 -2.224 1.00 0.00 H new ATOM 0 HA ALA A 44 -5.674 -0.090 -0.680 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.954 2.026 -1.739 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.750 0.942 -2.904 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.633 2.338 -2.240 1.00 0.00 H new ATOM 699 N GLU A 45 -7.710 2.148 0.567 1.00 0.00 N ATOM 700 CA GLU A 45 -7.972 2.977 1.738 1.00 0.00 C ATOM 701 C GLU A 45 -7.983 2.134 3.009 1.00 0.00 C ATOM 702 O GLU A 45 -7.454 2.543 4.042 1.00 0.00 O ATOM 703 CB GLU A 45 -9.308 3.707 1.585 1.00 0.00 C ATOM 704 CG GLU A 45 -9.224 4.955 0.722 1.00 0.00 C ATOM 705 CD GLU A 45 -10.590 5.516 0.375 1.00 0.00 C ATOM 706 OE1 GLU A 45 -11.295 5.972 1.299 1.00 0.00 O ATOM 707 OE2 GLU A 45 -10.952 5.499 -0.820 1.00 0.00 O ATOM 0 H GLU A 45 -8.488 2.089 -0.090 1.00 0.00 H new ATOM 0 HA GLU A 45 -7.172 3.713 1.817 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -10.038 3.024 1.151 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.677 3.983 2.573 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.645 5.716 1.245 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.687 4.721 -0.197 1.00 0.00 H new ATOM 714 N GLU A 46 -8.590 0.954 2.925 1.00 0.00 N ATOM 715 CA GLU A 46 -8.671 0.054 4.070 1.00 0.00 C ATOM 716 C GLU A 46 -7.280 -0.272 4.605 1.00 0.00 C ATOM 717 O GLU A 46 -6.987 -0.050 5.780 1.00 0.00 O ATOM 718 CB GLU A 46 -9.395 -1.237 3.681 1.00 0.00 C ATOM 719 CG GLU A 46 -10.909 -1.109 3.680 1.00 0.00 C ATOM 720 CD GLU A 46 -11.441 -0.463 4.945 1.00 0.00 C ATOM 721 OE1 GLU A 46 -10.809 -0.631 6.008 1.00 0.00 O ATOM 722 OE2 GLU A 46 -12.490 0.211 4.870 1.00 0.00 O ATOM 0 H GLU A 46 -9.032 0.599 2.077 1.00 0.00 H new ATOM 0 HA GLU A 46 -9.235 0.556 4.856 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -9.064 -1.544 2.689 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -9.106 -2.028 4.373 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -11.219 -0.520 2.817 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -11.353 -2.098 3.567 1.00 0.00 H new ATOM 729 N PHE A 47 -6.426 -0.800 3.735 1.00 0.00 N ATOM 730 CA PHE A 47 -5.066 -1.159 4.119 1.00 0.00 C ATOM 731 C PHE A 47 -4.387 -0.007 4.855 1.00 0.00 C ATOM 732 O PHE A 47 -4.000 -0.140 6.016 1.00 0.00 O ATOM 733 CB PHE A 47 -4.248 -1.542 2.884 1.00 0.00 C ATOM 734 CG PHE A 47 -2.905 -2.128 3.213 1.00 0.00 C ATOM 735 CD1 PHE A 47 -2.807 -3.334 3.888 1.00 0.00 C ATOM 736 CD2 PHE A 47 -1.740 -1.473 2.847 1.00 0.00 C ATOM 737 CE1 PHE A 47 -1.573 -3.877 4.192 1.00 0.00 C ATOM 738 CE2 PHE A 47 -0.503 -2.011 3.148 1.00 0.00 C ATOM 739 CZ PHE A 47 -0.419 -3.214 3.822 1.00 0.00 C ATOM 0 H PHE A 47 -6.652 -0.989 2.758 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.119 -2.016 4.791 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -4.814 -2.261 2.292 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -4.107 -0.658 2.263 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -3.706 -3.856 4.180 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -1.799 -0.532 2.321 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -1.511 -4.818 4.718 1.00 0.00 H new ATOM 0 HE2 PHE A 47 0.398 -1.491 2.856 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.547 -3.635 4.059 1.00 0.00 H new ATOM 749 N TRP A 48 -4.247 1.123 4.171 1.00 0.00 N ATOM 750 CA TRP A 48 -3.615 2.299 4.758 1.00 0.00 C ATOM 751 C TRP A 48 -4.396 2.787 5.973 1.00 0.00 C ATOM 752 O TRP A 48 -3.845 3.451 6.851 1.00 0.00 O ATOM 753 CB TRP A 48 -3.509 3.418 3.721 1.00 0.00 C ATOM 754 CG TRP A 48 -2.530 3.122 2.626 1.00 0.00 C ATOM 755 CD1 TRP A 48 -2.765 3.169 1.281 1.00 0.00 C ATOM 756 CD2 TRP A 48 -1.161 2.732 2.782 1.00 0.00 C ATOM 757 NE1 TRP A 48 -1.625 2.831 0.592 1.00 0.00 N ATOM 758 CE2 TRP A 48 -0.627 2.560 1.490 1.00 0.00 C ATOM 759 CE3 TRP A 48 -0.334 2.513 3.887 1.00 0.00 C ATOM 760 CZ2 TRP A 48 0.695 2.178 1.277 1.00 0.00 C ATOM 761 CZ3 TRP A 48 0.977 2.134 3.674 1.00 0.00 C ATOM 762 CH2 TRP A 48 1.482 1.970 2.377 1.00 0.00 C ATOM 0 H TRP A 48 -4.563 1.250 3.209 1.00 0.00 H new ATOM 0 HA TRP A 48 -2.613 2.018 5.082 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -4.492 3.592 3.283 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -3.215 4.341 4.221 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -3.708 3.433 0.826 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -1.536 2.789 -0.423 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -0.713 2.638 4.890 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 1.086 2.050 0.278 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 1.624 1.961 4.521 1.00 0.00 H new ATOM 0 HH2 TRP A 48 2.512 1.674 2.243 1.00 0.00 H new ATOM 773 N ALA A 49 -5.681 2.454 6.018 1.00 0.00 N ATOM 774 CA ALA A 49 -6.537 2.857 7.127 1.00 0.00 C ATOM 775 C ALA A 49 -5.835 2.651 8.465 1.00 0.00 C ATOM 776 O ALA A 49 -6.053 3.404 9.413 1.00 0.00 O ATOM 777 CB ALA A 49 -7.847 2.083 7.092 1.00 0.00 C ATOM 0 H ALA A 49 -6.153 1.906 5.299 1.00 0.00 H new ATOM 0 HA ALA A 49 -6.753 3.920 7.019 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.476 2.394 7.926 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.363 2.284 6.153 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.641 1.016 7.172 1.00 0.00 H new ATOM 783 N ASN A 50 -4.991 1.626 8.534 1.00 0.00 N ATOM 784 CA ASN A 50 -4.258 1.321 9.757 1.00 0.00 C ATOM 785 C ASN A 50 -2.836 1.872 9.691 1.00 0.00 C ATOM 786 O ASN A 50 -2.429 2.668 10.537 1.00 0.00 O ATOM 787 CB ASN A 50 -4.220 -0.191 9.990 1.00 0.00 C ATOM 788 CG ASN A 50 -4.256 -0.977 8.693 1.00 0.00 C ATOM 789 OD1 ASN A 50 -3.221 -1.223 8.075 1.00 0.00 O ATOM 790 ND2 ASN A 50 -5.453 -1.374 8.276 1.00 0.00 N ATOM 0 H ASN A 50 -4.798 0.993 7.758 1.00 0.00 H new ATOM 0 HA ASN A 50 -4.776 1.798 10.589 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -3.316 -0.448 10.543 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -5.067 -0.482 10.611 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -5.541 -1.906 7.410 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -6.284 -1.147 8.822 1.00 0.00 H new ATOM 797 N ARG A 51 -2.088 1.443 8.680 1.00 0.00 N ATOM 798 CA ARG A 51 -0.712 1.893 8.503 1.00 0.00 C ATOM 799 C ARG A 51 -0.624 3.414 8.578 1.00 0.00 C ATOM 800 O ARG A 51 0.060 3.966 9.441 1.00 0.00 O ATOM 801 CB ARG A 51 -0.162 1.404 7.162 1.00 0.00 C ATOM 802 CG ARG A 51 0.523 0.049 7.242 1.00 0.00 C ATOM 803 CD ARG A 51 -0.484 -1.072 7.447 1.00 0.00 C ATOM 804 NE ARG A 51 -0.796 -1.276 8.859 1.00 0.00 N ATOM 805 CZ ARG A 51 -1.289 -2.409 9.347 1.00 0.00 C ATOM 806 NH1 ARG A 51 -1.524 -3.434 8.541 1.00 0.00 N ATOM 807 NH2 ARG A 51 -1.547 -2.517 10.644 1.00 0.00 N ATOM 0 H ARG A 51 -2.411 0.785 7.971 1.00 0.00 H new ATOM 0 HA ARG A 51 -0.111 1.472 9.309 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.979 1.347 6.443 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.547 2.138 6.780 1.00 0.00 H new ATOM 0 HG2 ARG A 51 1.087 -0.130 6.326 1.00 0.00 H new ATOM 0 HG3 ARG A 51 1.240 0.050 8.063 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.400 -0.840 6.903 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.088 -1.996 7.026 1.00 0.00 H new ATOM 0 HE ARG A 51 -0.626 -0.506 9.506 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -1.326 -3.354 7.544 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -1.903 -4.303 8.918 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -1.367 -1.730 11.267 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -1.926 -3.387 11.018 1.00 0.00 H new ATOM 821 N LEU A 52 -1.319 4.087 7.668 1.00 0.00 N ATOM 822 CA LEU A 52 -1.320 5.546 7.629 1.00 0.00 C ATOM 823 C LEU A 52 -2.307 6.117 8.642 1.00 0.00 C ATOM 824 O LEU A 52 -3.149 5.397 9.177 1.00 0.00 O ATOM 825 CB LEU A 52 -1.671 6.038 6.224 1.00 0.00 C ATOM 826 CG LEU A 52 -0.513 6.108 5.228 1.00 0.00 C ATOM 827 CD1 LEU A 52 -1.036 6.315 3.815 1.00 0.00 C ATOM 828 CD2 LEU A 52 0.453 7.219 5.610 1.00 0.00 C ATOM 0 H LEU A 52 -1.890 3.646 6.947 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.320 5.893 7.889 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.439 5.382 5.813 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -2.112 7.031 6.308 1.00 0.00 H new ATOM 0 HG LEU A 52 0.025 5.161 5.259 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.198 6.362 3.120 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.687 5.484 3.543 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.599 7.247 3.768 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.271 7.254 4.890 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.072 8.174 5.609 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.854 7.026 6.605 1.00 0.00 H new ATOM 840 N ASN A 53 -2.197 7.416 8.899 1.00 0.00 N ATOM 841 CA ASN A 53 -3.081 8.085 9.847 1.00 0.00 C ATOM 842 C ASN A 53 -2.764 7.662 11.278 1.00 0.00 C ATOM 843 O ASN A 53 -3.666 7.400 12.074 1.00 0.00 O ATOM 844 CB ASN A 53 -4.543 7.770 9.523 1.00 0.00 C ATOM 845 CG ASN A 53 -5.494 8.818 10.067 1.00 0.00 C ATOM 846 OD1 ASN A 53 -5.296 9.343 11.163 1.00 0.00 O ATOM 847 ND2 ASN A 53 -6.535 9.126 9.302 1.00 0.00 N ATOM 0 H ASN A 53 -1.505 8.026 8.464 1.00 0.00 H new ATOM 0 HA ASN A 53 -2.919 9.159 9.760 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -4.665 7.698 8.442 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -4.803 6.797 9.939 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -7.210 9.823 9.616 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -6.659 8.665 8.400 1.00 0.00 H new ATOM 854 N VAL A 54 -1.475 7.599 11.599 1.00 0.00 N ATOM 855 CA VAL A 54 -1.038 7.210 12.935 1.00 0.00 C ATOM 856 C VAL A 54 -0.640 8.429 13.759 1.00 0.00 C ATOM 857 O VAL A 54 0.353 8.403 14.484 1.00 0.00 O ATOM 858 CB VAL A 54 0.152 6.234 12.874 1.00 0.00 C ATOM 859 CG1 VAL A 54 -0.251 4.944 12.177 1.00 0.00 C ATOM 860 CG2 VAL A 54 1.336 6.882 12.171 1.00 0.00 C ATOM 0 H VAL A 54 -0.716 7.812 10.952 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.882 6.712 13.412 1.00 0.00 H new ATOM 0 HB VAL A 54 0.452 5.990 13.893 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.602 4.267 12.143 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.066 4.473 12.726 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.578 5.166 11.161 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.168 6.179 12.137 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.051 7.156 11.155 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.639 7.776 12.717 1.00 0.00 H new ATOM 870 N ASN A 55 -1.422 9.497 13.642 1.00 0.00 N ATOM 871 CA ASN A 55 -1.151 10.727 14.377 1.00 0.00 C ATOM 872 C ASN A 55 0.345 11.027 14.403 1.00 0.00 C ATOM 873 O ASN A 55 0.885 11.454 15.423 1.00 0.00 O ATOM 874 CB ASN A 55 -1.686 10.620 15.807 1.00 0.00 C ATOM 875 CG ASN A 55 -1.890 11.978 16.451 1.00 0.00 C ATOM 876 OD1 ASN A 55 -1.220 12.322 17.425 1.00 0.00 O ATOM 877 ND2 ASN A 55 -2.819 12.756 15.909 1.00 0.00 N ATOM 0 H ASN A 55 -2.248 9.536 13.045 1.00 0.00 H new ATOM 0 HA ASN A 55 -1.659 11.545 13.866 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -2.632 10.079 15.798 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -0.990 10.036 16.410 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -3.001 13.680 16.300 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.350 12.429 15.102 1.00 0.00 H new ATOM 884 N SER A 56 1.007 10.801 13.273 1.00 0.00 N ATOM 885 CA SER A 56 2.441 11.044 13.167 1.00 0.00 C ATOM 886 C SER A 56 2.839 11.324 11.721 1.00 0.00 C ATOM 887 O SER A 56 2.258 10.771 10.787 1.00 0.00 O ATOM 888 CB SER A 56 3.224 9.842 13.699 1.00 0.00 C ATOM 889 OG SER A 56 4.610 10.131 13.778 1.00 0.00 O ATOM 0 H SER A 56 0.574 10.450 12.419 1.00 0.00 H new ATOM 0 HA SER A 56 2.681 11.921 13.768 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.850 9.568 14.685 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.065 8.983 13.047 1.00 0.00 H new ATOM 0 HG SER A 56 5.088 9.348 14.122 1.00 0.00 H new ATOM 895 N GLY A 57 3.834 12.188 11.543 1.00 0.00 N ATOM 896 CA GLY A 57 4.293 12.528 10.209 1.00 0.00 C ATOM 897 C GLY A 57 4.095 13.995 9.884 1.00 0.00 C ATOM 898 O GLY A 57 3.110 14.387 9.259 1.00 0.00 O ATOM 0 H GLY A 57 4.331 12.659 12.300 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.350 12.278 10.117 1.00 0.00 H new ATOM 0 HA3 GLY A 57 3.758 11.922 9.478 1.00 0.00 H new ATOM 902 N PRO A 58 5.048 14.834 10.316 1.00 0.00 N ATOM 903 CA PRO A 58 4.996 16.280 10.080 1.00 0.00 C ATOM 904 C PRO A 58 5.210 16.636 8.613 1.00 0.00 C ATOM 905 O PRO A 58 4.519 17.495 8.065 1.00 0.00 O ATOM 906 CB PRO A 58 6.145 16.821 10.934 1.00 0.00 C ATOM 907 CG PRO A 58 7.095 15.680 11.057 1.00 0.00 C ATOM 908 CD PRO A 58 6.250 14.437 11.068 1.00 0.00 C ATOM 0 HA PRO A 58 4.023 16.699 10.335 1.00 0.00 H new ATOM 0 HB2 PRO A 58 6.619 17.681 10.461 1.00 0.00 H new ATOM 0 HB3 PRO A 58 5.791 17.149 11.912 1.00 0.00 H new ATOM 0 HG2 PRO A 58 7.798 15.666 10.224 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.684 15.759 11.971 1.00 0.00 H new ATOM 0 HD2 PRO A 58 6.762 13.599 10.594 1.00 0.00 H new ATOM 0 HD3 PRO A 58 6.004 14.127 12.084 1.00 0.00 H new ATOM 916 N SER A 59 6.171 15.970 7.981 1.00 0.00 N ATOM 917 CA SER A 59 6.478 16.218 6.577 1.00 0.00 C ATOM 918 C SER A 59 6.874 17.675 6.358 1.00 0.00 C ATOM 919 O SER A 59 6.398 18.326 5.427 1.00 0.00 O ATOM 920 CB SER A 59 5.275 15.867 5.700 1.00 0.00 C ATOM 921 OG SER A 59 4.836 14.542 5.943 1.00 0.00 O ATOM 0 H SER A 59 6.751 15.254 8.419 1.00 0.00 H new ATOM 0 HA SER A 59 7.319 15.584 6.297 1.00 0.00 H new ATOM 0 HB2 SER A 59 4.461 16.565 5.897 1.00 0.00 H new ATOM 0 HB3 SER A 59 5.542 15.978 4.649 1.00 0.00 H new ATOM 0 HG SER A 59 4.587 14.119 5.095 1.00 0.00 H new ATOM 927 N SER A 60 7.748 18.181 7.222 1.00 0.00 N ATOM 928 CA SER A 60 8.206 19.562 7.126 1.00 0.00 C ATOM 929 C SER A 60 9.647 19.623 6.629 1.00 0.00 C ATOM 930 O SER A 60 10.319 18.599 6.509 1.00 0.00 O ATOM 931 CB SER A 60 8.094 20.255 8.485 1.00 0.00 C ATOM 932 OG SER A 60 7.919 21.653 8.333 1.00 0.00 O ATOM 0 H SER A 60 8.153 17.655 7.996 1.00 0.00 H new ATOM 0 HA SER A 60 7.570 20.080 6.409 1.00 0.00 H new ATOM 0 HB2 SER A 60 7.254 19.839 9.041 1.00 0.00 H new ATOM 0 HB3 SER A 60 8.992 20.060 9.071 1.00 0.00 H new ATOM 0 HG SER A 60 7.848 22.072 9.216 1.00 0.00 H new ATOM 938 N GLY A 61 10.117 20.834 6.341 1.00 0.00 N ATOM 939 CA GLY A 61 11.475 21.007 5.860 1.00 0.00 C ATOM 940 C GLY A 61 11.525 21.584 4.459 1.00 0.00 C ATOM 941 O GLY A 61 10.656 21.303 3.634 1.00 0.00 O ATOM 0 H GLY A 61 9.581 21.697 6.432 1.00 0.00 H new ATOM 0 HA2 GLY A 61 12.017 21.664 6.540 1.00 0.00 H new ATOM 0 HA3 GLY A 61 11.987 20.045 5.872 1.00 0.00 H new TER 945 GLY A 61