USER MOD reduce.3.24.130724 H: found=0, std=0, add=900, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 898 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -58:sc= 0.247 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 35:sc= 0.497 USER MOD Single : A 8 ASN : amide:sc= 0.0929 K(o=0.093,f=-6.3!) USER MOD Single : A 10 ASN : amide:sc=-0.00408 K(o=-0.0041,f=-1.1) USER MOD Single : A 11 SER OG : rot 21:sc= 0.934 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot -140:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -2.89 K(o=-2.9,f=-0.5) USER MOD Single : A 27 SER OG : rot -170:sc= -1.35 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -6.15! C(o=-6.1!,f=-22!) USER MOD Single : A 46 ASN : amide:sc= -0.0268 X(o=-0.027,f=-0.38) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.296 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= -0.0301 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 HIS : no HD1:sc= -0.0827 X(o=-0.083,f=-0.17) USER MOD Single : A 85 ASN : amide:sc= 0.127 K(o=0.13,f=-1.3!) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 90 THR OG1 : rot 85:sc= 0 USER MOD Single : A 92 MET CE :methyl -164:sc= 0 (180deg=-0.325) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 27:sc= 0.201 USER MOD Single : A 104 LYS NZ :NH3+ -121:sc= -1.06 (180deg=-4.57!) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 ASN : amide:sc= -0.587 K(o=-0.59,f=-0.081) USER MOD Single : A 117 ASN : amide:sc= -0.204 K(o=-0.2,f=-0.83) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.604 3.678 20.466 1.00 0.00 N ATOM 2 CA GLY A 1 2.540 4.947 19.766 1.00 0.00 C ATOM 3 C GLY A 1 2.270 4.779 18.284 1.00 0.00 C ATOM 4 O GLY A 1 3.157 4.989 17.457 1.00 0.00 O ATOM 0 H1 GLY A 1 2.790 3.847 21.475 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.699 3.177 20.360 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.369 3.099 20.065 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.756 5.563 20.207 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.480 5.481 19.903 1.00 0.00 H new ATOM 8 N SER A 2 1.042 4.398 17.947 1.00 0.00 N ATOM 9 CA SER A 2 0.659 4.196 16.555 1.00 0.00 C ATOM 10 C SER A 2 -0.490 5.122 16.168 1.00 0.00 C ATOM 11 O SER A 2 -1.320 5.482 17.002 1.00 0.00 O ATOM 12 CB SER A 2 0.256 2.739 16.321 1.00 0.00 C ATOM 13 OG SER A 2 -0.762 2.341 17.222 1.00 0.00 O ATOM 0 H SER A 2 0.295 4.223 18.619 1.00 0.00 H new ATOM 0 HA SER A 2 1.520 4.432 15.929 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.093 2.615 15.296 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.126 2.094 16.442 1.00 0.00 H new ATOM 0 HG SER A 2 -1.003 1.407 17.051 1.00 0.00 H new ATOM 19 N SER A 3 -0.531 5.505 14.895 1.00 0.00 N ATOM 20 CA SER A 3 -1.575 6.392 14.397 1.00 0.00 C ATOM 21 C SER A 3 -1.905 7.472 15.422 1.00 0.00 C ATOM 22 O SER A 3 -3.071 7.794 15.648 1.00 0.00 O ATOM 23 CB SER A 3 -2.835 5.592 14.058 1.00 0.00 C ATOM 24 OG SER A 3 -3.756 6.379 13.324 1.00 0.00 O ATOM 0 H SER A 3 0.147 5.214 14.190 1.00 0.00 H new ATOM 0 HA SER A 3 -1.206 6.875 13.492 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.564 4.709 13.479 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.304 5.240 14.977 1.00 0.00 H new ATOM 0 HG SER A 3 -3.988 7.178 13.841 1.00 0.00 H new ATOM 30 N GLY A 4 -0.868 8.029 16.041 1.00 0.00 N ATOM 31 CA GLY A 4 -1.068 9.067 17.035 1.00 0.00 C ATOM 32 C GLY A 4 -0.151 10.255 16.825 1.00 0.00 C ATOM 33 O GLY A 4 0.553 10.675 17.743 1.00 0.00 O ATOM 0 H GLY A 4 0.106 7.780 15.872 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.105 9.402 17.002 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.898 8.652 18.028 1.00 0.00 H new ATOM 37 N SER A 5 -0.158 10.799 15.612 1.00 0.00 N ATOM 38 CA SER A 5 0.684 11.943 15.282 1.00 0.00 C ATOM 39 C SER A 5 0.113 13.227 15.876 1.00 0.00 C ATOM 40 O SER A 5 -0.858 13.783 15.364 1.00 0.00 O ATOM 41 CB SER A 5 0.815 12.085 13.764 1.00 0.00 C ATOM 42 OG SER A 5 1.784 11.188 13.250 1.00 0.00 O ATOM 0 H SER A 5 -0.737 10.466 14.842 1.00 0.00 H new ATOM 0 HA SER A 5 1.671 11.772 15.711 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.149 11.893 13.293 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.094 13.109 13.514 1.00 0.00 H new ATOM 0 HG SER A 5 1.848 11.297 12.278 1.00 0.00 H new ATOM 48 N SER A 6 0.724 13.691 16.962 1.00 0.00 N ATOM 49 CA SER A 6 0.276 14.907 17.630 1.00 0.00 C ATOM 50 C SER A 6 0.660 16.144 16.823 1.00 0.00 C ATOM 51 O SER A 6 1.839 16.395 16.574 1.00 0.00 O ATOM 52 CB SER A 6 0.876 14.994 19.034 1.00 0.00 C ATOM 53 OG SER A 6 2.289 15.087 18.980 1.00 0.00 O ATOM 0 H SER A 6 1.530 13.243 17.398 1.00 0.00 H new ATOM 0 HA SER A 6 -0.810 14.869 17.709 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.471 15.863 19.553 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.588 14.115 19.611 1.00 0.00 H new ATOM 0 HG SER A 6 2.553 15.606 18.192 1.00 0.00 H new ATOM 59 N GLY A 7 -0.344 16.914 16.417 1.00 0.00 N ATOM 60 CA GLY A 7 -0.092 18.115 15.643 1.00 0.00 C ATOM 61 C GLY A 7 0.354 17.809 14.227 1.00 0.00 C ATOM 62 O GLY A 7 0.534 16.648 13.863 1.00 0.00 O ATOM 0 H GLY A 7 -1.328 16.728 16.610 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.998 18.721 15.612 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.673 18.711 16.141 1.00 0.00 H new ATOM 66 N ASN A 8 0.532 18.854 13.425 1.00 0.00 N ATOM 67 CA ASN A 8 0.958 18.691 12.040 1.00 0.00 C ATOM 68 C ASN A 8 2.207 19.519 11.753 1.00 0.00 C ATOM 69 O ASN A 8 2.467 20.520 12.421 1.00 0.00 O ATOM 70 CB ASN A 8 -0.168 19.099 11.087 1.00 0.00 C ATOM 71 CG ASN A 8 -0.654 20.513 11.338 1.00 0.00 C ATOM 72 OD1 ASN A 8 -0.514 21.043 12.441 1.00 0.00 O ATOM 73 ND2 ASN A 8 -1.229 21.132 10.314 1.00 0.00 N ATOM 0 H ASN A 8 0.388 19.823 13.711 1.00 0.00 H new ATOM 0 HA ASN A 8 1.197 17.639 11.881 1.00 0.00 H new ATOM 0 HB2 ASN A 8 0.182 19.015 10.058 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -1.002 18.406 11.197 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -1.576 22.085 10.424 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -1.324 20.655 9.418 1.00 0.00 H new ATOM 80 N ASP A 9 2.975 19.094 10.757 1.00 0.00 N ATOM 81 CA ASP A 9 4.197 19.797 10.380 1.00 0.00 C ATOM 82 C ASP A 9 4.331 19.878 8.863 1.00 0.00 C ATOM 83 O ASP A 9 3.865 18.998 8.141 1.00 0.00 O ATOM 84 CB ASP A 9 5.418 19.096 10.977 1.00 0.00 C ATOM 85 CG ASP A 9 5.428 19.138 12.492 1.00 0.00 C ATOM 86 OD1 ASP A 9 5.400 20.253 13.055 1.00 0.00 O ATOM 87 OD2 ASP A 9 5.462 18.057 13.115 1.00 0.00 O ATOM 0 H ASP A 9 2.774 18.266 10.196 1.00 0.00 H new ATOM 0 HA ASP A 9 4.141 20.811 10.776 1.00 0.00 H new ATOM 0 HB2 ASP A 9 5.435 18.058 10.645 1.00 0.00 H new ATOM 0 HB3 ASP A 9 6.325 19.567 10.598 1.00 0.00 H new ATOM 92 N ASN A 10 4.972 20.940 8.387 1.00 0.00 N ATOM 93 CA ASN A 10 5.167 21.137 6.955 1.00 0.00 C ATOM 94 C ASN A 10 6.175 20.135 6.400 1.00 0.00 C ATOM 95 O ASN A 10 7.359 20.441 6.264 1.00 0.00 O ATOM 96 CB ASN A 10 5.642 22.564 6.675 1.00 0.00 C ATOM 97 CG ASN A 10 4.585 23.600 7.002 1.00 0.00 C ATOM 98 OD1 ASN A 10 3.390 23.305 7.003 1.00 0.00 O ATOM 99 ND2 ASN A 10 5.022 24.823 7.281 1.00 0.00 N ATOM 0 H ASN A 10 5.365 21.678 8.972 1.00 0.00 H new ATOM 0 HA ASN A 10 4.210 20.976 6.458 1.00 0.00 H new ATOM 0 HB2 ASN A 10 6.539 22.767 7.260 1.00 0.00 H new ATOM 0 HB3 ASN A 10 5.920 22.652 5.625 1.00 0.00 H new ATOM 0 HD21 ASN A 10 4.357 25.563 7.508 1.00 0.00 H new ATOM 0 HD22 ASN A 10 6.022 25.022 7.268 1.00 0.00 H new ATOM 106 N SER A 11 5.695 18.937 6.081 1.00 0.00 N ATOM 107 CA SER A 11 6.555 17.888 5.544 1.00 0.00 C ATOM 108 C SER A 11 5.724 16.776 4.912 1.00 0.00 C ATOM 109 O SER A 11 4.542 16.603 5.209 1.00 0.00 O ATOM 110 CB SER A 11 7.443 17.312 6.648 1.00 0.00 C ATOM 111 OG SER A 11 8.583 18.125 6.862 1.00 0.00 O ATOM 0 H SER A 11 4.716 18.669 6.185 1.00 0.00 H new ATOM 0 HA SER A 11 7.187 18.329 4.773 1.00 0.00 H new ATOM 0 HB2 SER A 11 6.872 17.231 7.573 1.00 0.00 H new ATOM 0 HB3 SER A 11 7.757 16.304 6.377 1.00 0.00 H new ATOM 0 HG SER A 11 8.408 19.029 6.525 1.00 0.00 H new ATOM 117 N PRO A 12 6.356 16.002 4.017 1.00 0.00 N ATOM 118 CA PRO A 12 5.696 14.892 3.324 1.00 0.00 C ATOM 119 C PRO A 12 5.384 13.727 4.258 1.00 0.00 C ATOM 120 O PRO A 12 6.261 13.242 4.973 1.00 0.00 O ATOM 121 CB PRO A 12 6.722 14.472 2.269 1.00 0.00 C ATOM 122 CG PRO A 12 8.036 14.897 2.828 1.00 0.00 C ATOM 123 CD PRO A 12 7.765 16.150 3.614 1.00 0.00 C ATOM 0 HA PRO A 12 4.733 15.187 2.908 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.695 13.396 2.096 1.00 0.00 H new ATOM 0 HB3 PRO A 12 6.525 14.954 1.311 1.00 0.00 H new ATOM 0 HG2 PRO A 12 8.459 14.120 3.465 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.757 15.084 2.032 1.00 0.00 H new ATOM 0 HD2 PRO A 12 8.424 16.232 4.479 1.00 0.00 H new ATOM 0 HD3 PRO A 12 7.918 17.044 3.010 1.00 0.00 H new ATOM 131 N ARG A 13 4.132 13.284 4.246 1.00 0.00 N ATOM 132 CA ARG A 13 3.705 12.177 5.093 1.00 0.00 C ATOM 133 C ARG A 13 2.729 11.269 4.351 1.00 0.00 C ATOM 134 O ARG A 13 1.887 11.739 3.586 1.00 0.00 O ATOM 135 CB ARG A 13 3.054 12.706 6.372 1.00 0.00 C ATOM 136 CG ARG A 13 4.039 12.945 7.504 1.00 0.00 C ATOM 137 CD ARG A 13 4.273 11.680 8.315 1.00 0.00 C ATOM 138 NE ARG A 13 5.197 11.903 9.423 1.00 0.00 N ATOM 139 CZ ARG A 13 5.290 11.099 10.476 1.00 0.00 C ATOM 140 NH1 ARG A 13 4.519 10.024 10.564 1.00 0.00 N ATOM 141 NH2 ARG A 13 6.156 11.369 11.445 1.00 0.00 N ATOM 0 H ARG A 13 3.395 13.675 3.659 1.00 0.00 H new ATOM 0 HA ARG A 13 4.587 11.594 5.357 1.00 0.00 H new ATOM 0 HB2 ARG A 13 2.538 13.640 6.147 1.00 0.00 H new ATOM 0 HB3 ARG A 13 2.297 11.996 6.705 1.00 0.00 H new ATOM 0 HG2 ARG A 13 4.986 13.297 7.095 1.00 0.00 H new ATOM 0 HG3 ARG A 13 3.661 13.732 8.156 1.00 0.00 H new ATOM 0 HD2 ARG A 13 3.321 11.318 8.704 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.669 10.900 7.664 1.00 0.00 H new ATOM 0 HE ARG A 13 5.805 12.721 9.386 1.00 0.00 H new ATOM 0 HH11 ARG A 13 3.852 9.813 9.822 1.00 0.00 H new ATOM 0 HH12 ARG A 13 4.593 9.408 11.374 1.00 0.00 H new ATOM 0 HH21 ARG A 13 6.751 12.195 11.382 1.00 0.00 H new ATOM 0 HH22 ARG A 13 6.226 10.751 12.253 1.00 0.00 H new ATOM 155 N PHE A 14 2.850 9.965 4.581 1.00 0.00 N ATOM 156 CA PHE A 14 1.980 8.991 3.933 1.00 0.00 C ATOM 157 C PHE A 14 0.603 8.969 4.590 1.00 0.00 C ATOM 158 O PHE A 14 0.451 9.359 5.748 1.00 0.00 O ATOM 159 CB PHE A 14 2.607 7.597 3.992 1.00 0.00 C ATOM 160 CG PHE A 14 3.758 7.416 3.043 1.00 0.00 C ATOM 161 CD1 PHE A 14 3.545 7.386 1.674 1.00 0.00 C ATOM 162 CD2 PHE A 14 5.051 7.279 3.519 1.00 0.00 C ATOM 163 CE1 PHE A 14 4.602 7.219 0.799 1.00 0.00 C ATOM 164 CE2 PHE A 14 6.112 7.112 2.649 1.00 0.00 C ATOM 165 CZ PHE A 14 5.887 7.084 1.287 1.00 0.00 C ATOM 0 H PHE A 14 3.542 9.559 5.211 1.00 0.00 H new ATOM 0 HA PHE A 14 1.861 9.285 2.890 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.951 7.405 5.008 1.00 0.00 H new ATOM 0 HB3 PHE A 14 1.842 6.854 3.768 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.543 7.494 1.287 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.233 7.303 4.583 1.00 0.00 H new ATOM 0 HE1 PHE A 14 4.423 7.194 -0.266 1.00 0.00 H new ATOM 0 HE2 PHE A 14 7.115 7.004 3.034 1.00 0.00 H new ATOM 0 HZ PHE A 14 6.714 6.957 0.605 1.00 0.00 H new ATOM 175 N GLU A 15 -0.396 8.512 3.843 1.00 0.00 N ATOM 176 CA GLU A 15 -1.761 8.441 4.352 1.00 0.00 C ATOM 177 C GLU A 15 -1.847 7.493 5.545 1.00 0.00 C ATOM 178 O GLU A 15 -2.535 7.773 6.527 1.00 0.00 O ATOM 179 CB GLU A 15 -2.717 7.980 3.250 1.00 0.00 C ATOM 180 CG GLU A 15 -2.656 8.833 1.995 1.00 0.00 C ATOM 181 CD GLU A 15 -3.975 8.869 1.249 1.00 0.00 C ATOM 182 OE1 GLU A 15 -4.220 7.959 0.430 1.00 0.00 O ATOM 183 OE2 GLU A 15 -4.764 9.809 1.484 1.00 0.00 O ATOM 0 H GLU A 15 -0.286 8.185 2.883 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.052 9.439 4.680 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.486 6.947 2.989 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.736 7.990 3.637 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.368 9.849 2.265 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.880 8.446 1.335 1.00 0.00 H new ATOM 190 N LYS A 16 -1.145 6.369 5.453 1.00 0.00 N ATOM 191 CA LYS A 16 -1.140 5.379 6.523 1.00 0.00 C ATOM 192 C LYS A 16 0.281 5.108 7.007 1.00 0.00 C ATOM 193 O LYS A 16 1.219 5.061 6.212 1.00 0.00 O ATOM 194 CB LYS A 16 -1.784 4.076 6.043 1.00 0.00 C ATOM 195 CG LYS A 16 -3.171 4.264 5.453 1.00 0.00 C ATOM 196 CD LYS A 16 -3.682 2.985 4.811 1.00 0.00 C ATOM 197 CE LYS A 16 -3.186 2.843 3.380 1.00 0.00 C ATOM 198 NZ LYS A 16 -4.077 3.541 2.413 1.00 0.00 N ATOM 0 H LYS A 16 -0.571 6.121 4.647 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.719 5.778 7.356 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.139 3.616 5.294 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.846 3.381 6.880 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.861 4.580 6.236 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.146 5.061 4.709 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.355 2.126 5.397 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.772 2.982 4.821 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.177 3.249 3.303 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.125 1.786 3.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.705 3.421 1.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.034 3.137 2.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.116 4.554 2.645 1.00 0.00 H new ATOM 212 N SER A 17 0.431 4.929 8.316 1.00 0.00 N ATOM 213 CA SER A 17 1.738 4.665 8.906 1.00 0.00 C ATOM 214 C SER A 17 2.289 3.325 8.428 1.00 0.00 C ATOM 215 O SER A 17 3.469 3.209 8.094 1.00 0.00 O ATOM 216 CB SER A 17 1.643 4.675 10.433 1.00 0.00 C ATOM 217 OG SER A 17 1.346 5.973 10.917 1.00 0.00 O ATOM 0 H SER A 17 -0.336 4.962 8.987 1.00 0.00 H new ATOM 0 HA SER A 17 2.420 5.453 8.586 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.871 3.977 10.757 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.584 4.330 10.861 1.00 0.00 H new ATOM 0 HG SER A 17 1.289 5.952 11.895 1.00 0.00 H new ATOM 223 N VAL A 18 1.426 2.314 8.398 1.00 0.00 N ATOM 224 CA VAL A 18 1.825 0.981 7.961 1.00 0.00 C ATOM 225 C VAL A 18 0.852 0.430 6.925 1.00 0.00 C ATOM 226 O VAL A 18 -0.173 -0.157 7.271 1.00 0.00 O ATOM 227 CB VAL A 18 1.905 0.002 9.147 1.00 0.00 C ATOM 228 CG1 VAL A 18 2.304 -1.386 8.668 1.00 0.00 C ATOM 229 CG2 VAL A 18 2.881 0.514 10.195 1.00 0.00 C ATOM 0 H VAL A 18 0.446 2.393 8.671 1.00 0.00 H new ATOM 0 HA VAL A 18 2.814 1.077 7.512 1.00 0.00 H new ATOM 0 HB VAL A 18 0.919 -0.068 9.605 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.355 -2.064 9.520 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.564 -1.752 7.957 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.279 -1.337 8.184 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.925 -0.190 11.026 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.872 0.614 9.751 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.547 1.485 10.560 1.00 0.00 H new ATOM 239 N TYR A 19 1.181 0.621 5.652 1.00 0.00 N ATOM 240 CA TYR A 19 0.335 0.145 4.564 1.00 0.00 C ATOM 241 C TYR A 19 0.176 -1.372 4.622 1.00 0.00 C ATOM 242 O TYR A 19 1.079 -2.116 4.241 1.00 0.00 O ATOM 243 CB TYR A 19 0.925 0.556 3.214 1.00 0.00 C ATOM 244 CG TYR A 19 0.594 1.977 2.816 1.00 0.00 C ATOM 245 CD1 TYR A 19 0.895 3.042 3.656 1.00 0.00 C ATOM 246 CD2 TYR A 19 -0.018 2.254 1.600 1.00 0.00 C ATOM 247 CE1 TYR A 19 0.595 4.341 3.297 1.00 0.00 C ATOM 248 CE2 TYR A 19 -0.320 3.550 1.232 1.00 0.00 C ATOM 249 CZ TYR A 19 -0.013 4.591 2.084 1.00 0.00 C ATOM 250 OH TYR A 19 -0.313 5.884 1.722 1.00 0.00 O ATOM 0 H TYR A 19 2.028 1.102 5.348 1.00 0.00 H new ATOM 0 HA TYR A 19 -0.649 0.600 4.676 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.008 0.441 3.250 1.00 0.00 H new ATOM 0 HB3 TYR A 19 0.558 -0.123 2.444 1.00 0.00 H new ATOM 0 HD1 TYR A 19 1.372 2.850 4.606 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -0.262 1.442 0.931 1.00 0.00 H new ATOM 0 HE1 TYR A 19 0.835 5.157 3.962 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -0.794 3.748 0.282 1.00 0.00 H new ATOM 0 HH TYR A 19 -1.188 5.906 1.281 1.00 0.00 H new ATOM 260 N GLU A 20 -0.979 -1.821 5.102 1.00 0.00 N ATOM 261 CA GLU A 20 -1.257 -3.249 5.210 1.00 0.00 C ATOM 262 C GLU A 20 -2.135 -3.721 4.055 1.00 0.00 C ATOM 263 O GLU A 20 -3.314 -3.377 3.977 1.00 0.00 O ATOM 264 CB GLU A 20 -1.940 -3.558 6.544 1.00 0.00 C ATOM 265 CG GLU A 20 -1.779 -5.002 6.990 1.00 0.00 C ATOM 266 CD GLU A 20 -1.877 -5.163 8.494 1.00 0.00 C ATOM 267 OE1 GLU A 20 -1.454 -4.236 9.218 1.00 0.00 O ATOM 268 OE2 GLU A 20 -2.375 -6.214 8.948 1.00 0.00 O ATOM 0 H GLU A 20 -1.737 -1.218 5.422 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.308 -3.783 5.164 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.532 -2.902 7.312 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -3.002 -3.329 6.460 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.545 -5.613 6.512 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -0.814 -5.378 6.650 1.00 0.00 H new ATOM 275 N ALA A 21 -1.551 -4.511 3.160 1.00 0.00 N ATOM 276 CA ALA A 21 -2.279 -5.033 2.010 1.00 0.00 C ATOM 277 C ALA A 21 -1.925 -6.493 1.752 1.00 0.00 C ATOM 278 O ALA A 21 -0.750 -6.863 1.736 1.00 0.00 O ATOM 279 CB ALA A 21 -1.990 -4.191 0.777 1.00 0.00 C ATOM 0 H ALA A 21 -0.575 -4.804 3.209 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.345 -4.980 2.231 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.540 -4.592 -0.074 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.301 -3.162 0.958 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.922 -4.215 0.562 1.00 0.00 H new ATOM 285 N ASP A 22 -2.946 -7.318 1.550 1.00 0.00 N ATOM 286 CA ASP A 22 -2.742 -8.739 1.292 1.00 0.00 C ATOM 287 C ASP A 22 -2.498 -8.991 -0.193 1.00 0.00 C ATOM 288 O ASP A 22 -3.334 -8.662 -1.035 1.00 0.00 O ATOM 289 CB ASP A 22 -3.951 -9.545 1.767 1.00 0.00 C ATOM 290 CG ASP A 22 -5.172 -9.324 0.896 1.00 0.00 C ATOM 291 OD1 ASP A 22 -5.648 -8.172 0.821 1.00 0.00 O ATOM 292 OD2 ASP A 22 -5.652 -10.304 0.289 1.00 0.00 O ATOM 0 H ASP A 22 -3.924 -7.027 1.560 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.861 -9.061 1.847 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -3.698 -10.605 1.771 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -4.187 -9.269 2.795 1.00 0.00 H new ATOM 297 N LEU A 23 -1.347 -9.577 -0.507 1.00 0.00 N ATOM 298 CA LEU A 23 -0.993 -9.873 -1.891 1.00 0.00 C ATOM 299 C LEU A 23 -0.989 -11.377 -2.142 1.00 0.00 C ATOM 300 O LEU A 23 -0.412 -12.144 -1.370 1.00 0.00 O ATOM 301 CB LEU A 23 0.380 -9.285 -2.223 1.00 0.00 C ATOM 302 CG LEU A 23 0.714 -9.159 -3.710 1.00 0.00 C ATOM 303 CD1 LEU A 23 0.888 -10.534 -4.336 1.00 0.00 C ATOM 304 CD2 LEU A 23 -0.369 -8.374 -4.435 1.00 0.00 C ATOM 0 H LEU A 23 -0.644 -9.856 0.177 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.743 -9.418 -2.538 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.448 -8.296 -1.771 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.142 -9.905 -1.751 1.00 0.00 H new ATOM 0 HG LEU A 23 1.654 -8.617 -3.807 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.125 -10.425 -5.394 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.699 -11.062 -3.835 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.036 -11.102 -4.228 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.115 -8.294 -5.492 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.324 -8.889 -4.329 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.445 -7.376 -4.004 1.00 0.00 H new ATOM 316 N ALA A 24 -1.634 -11.793 -3.227 1.00 0.00 N ATOM 317 CA ALA A 24 -1.701 -13.205 -3.582 1.00 0.00 C ATOM 318 C ALA A 24 -0.338 -13.724 -4.027 1.00 0.00 C ATOM 319 O ALA A 24 0.223 -13.253 -5.016 1.00 0.00 O ATOM 320 CB ALA A 24 -2.735 -13.425 -4.676 1.00 0.00 C ATOM 0 H ALA A 24 -2.118 -11.172 -3.875 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.001 -13.764 -2.696 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.775 -14.484 -4.932 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.714 -13.100 -4.322 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.459 -12.849 -5.559 1.00 0.00 H new ATOM 326 N GLU A 25 0.189 -14.697 -3.291 1.00 0.00 N ATOM 327 CA GLU A 25 1.487 -15.279 -3.610 1.00 0.00 C ATOM 328 C GLU A 25 1.549 -15.698 -5.076 1.00 0.00 C ATOM 329 O GLU A 25 2.602 -15.627 -5.709 1.00 0.00 O ATOM 330 CB GLU A 25 1.766 -16.485 -2.711 1.00 0.00 C ATOM 331 CG GLU A 25 0.886 -17.687 -3.014 1.00 0.00 C ATOM 332 CD GLU A 25 1.497 -18.611 -4.049 1.00 0.00 C ATOM 333 OE1 GLU A 25 2.315 -18.131 -4.862 1.00 0.00 O ATOM 334 OE2 GLU A 25 1.158 -19.812 -4.046 1.00 0.00 O ATOM 0 H GLU A 25 -0.263 -15.099 -2.470 1.00 0.00 H new ATOM 0 HA GLU A 25 2.250 -14.521 -3.434 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.811 -16.774 -2.819 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.622 -16.193 -1.671 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.709 -18.244 -2.094 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.085 -17.341 -3.369 1.00 0.00 H new ATOM 341 N ASN A 26 0.414 -16.137 -5.609 1.00 0.00 N ATOM 342 CA ASN A 26 0.338 -16.570 -6.999 1.00 0.00 C ATOM 343 C ASN A 26 0.407 -15.375 -7.945 1.00 0.00 C ATOM 344 O ASN A 26 0.813 -15.506 -9.100 1.00 0.00 O ATOM 345 CB ASN A 26 -0.953 -17.353 -7.243 1.00 0.00 C ATOM 346 CG ASN A 26 -0.879 -18.770 -6.707 1.00 0.00 C ATOM 347 OD1 ASN A 26 0.127 -19.459 -6.878 1.00 0.00 O ATOM 348 ND2 ASN A 26 -1.948 -19.213 -6.055 1.00 0.00 N ATOM 0 H ASN A 26 -0.467 -16.202 -5.099 1.00 0.00 H new ATOM 0 HA ASN A 26 1.191 -17.219 -7.198 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -1.786 -16.832 -6.771 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -1.161 -17.382 -8.313 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -1.957 -20.159 -5.673 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -2.760 -18.608 -5.937 1.00 0.00 H new ATOM 355 N SER A 27 0.008 -14.209 -7.447 1.00 0.00 N ATOM 356 CA SER A 27 0.021 -12.990 -8.248 1.00 0.00 C ATOM 357 C SER A 27 1.187 -13.000 -9.232 1.00 0.00 C ATOM 358 O SER A 27 2.335 -13.220 -8.849 1.00 0.00 O ATOM 359 CB SER A 27 0.113 -11.761 -7.342 1.00 0.00 C ATOM 360 OG SER A 27 -1.108 -11.539 -6.658 1.00 0.00 O ATOM 0 H SER A 27 -0.328 -14.083 -6.492 1.00 0.00 H new ATOM 0 HA SER A 27 -0.909 -12.946 -8.814 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.918 -11.897 -6.620 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.364 -10.884 -7.938 1.00 0.00 H new ATOM 0 HG SER A 27 -1.079 -10.667 -6.211 1.00 0.00 H new ATOM 366 N ALA A 28 0.882 -12.759 -10.503 1.00 0.00 N ATOM 367 CA ALA A 28 1.903 -12.737 -11.543 1.00 0.00 C ATOM 368 C ALA A 28 2.814 -11.523 -11.392 1.00 0.00 C ATOM 369 O ALA A 28 2.488 -10.553 -10.708 1.00 0.00 O ATOM 370 CB ALA A 28 1.255 -12.746 -12.919 1.00 0.00 C ATOM 0 H ALA A 28 -0.064 -12.576 -10.837 1.00 0.00 H new ATOM 0 HA ALA A 28 2.515 -13.633 -11.436 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.029 -12.729 -13.686 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.652 -13.647 -13.031 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.618 -11.868 -13.027 1.00 0.00 H new ATOM 376 N PRO A 29 3.985 -11.577 -12.045 1.00 0.00 N ATOM 377 CA PRO A 29 4.967 -10.489 -11.999 1.00 0.00 C ATOM 378 C PRO A 29 4.494 -9.248 -12.748 1.00 0.00 C ATOM 379 O PRO A 29 4.894 -9.008 -13.886 1.00 0.00 O ATOM 380 CB PRO A 29 6.195 -11.092 -12.685 1.00 0.00 C ATOM 381 CG PRO A 29 5.649 -12.149 -13.581 1.00 0.00 C ATOM 382 CD PRO A 29 4.439 -12.702 -12.879 1.00 0.00 C ATOM 0 HA PRO A 29 5.153 -10.151 -10.980 1.00 0.00 H new ATOM 0 HB2 PRO A 29 6.742 -10.338 -13.251 1.00 0.00 H new ATOM 0 HB3 PRO A 29 6.889 -11.511 -11.957 1.00 0.00 H new ATOM 0 HG2 PRO A 29 5.381 -11.736 -14.554 1.00 0.00 H new ATOM 0 HG3 PRO A 29 6.388 -12.930 -13.759 1.00 0.00 H new ATOM 0 HD2 PRO A 29 3.671 -13.013 -13.587 1.00 0.00 H new ATOM 0 HD3 PRO A 29 4.688 -13.575 -12.275 1.00 0.00 H new ATOM 390 N GLY A 30 3.638 -8.462 -12.101 1.00 0.00 N ATOM 391 CA GLY A 30 3.125 -7.255 -12.722 1.00 0.00 C ATOM 392 C GLY A 30 1.835 -6.778 -12.084 1.00 0.00 C ATOM 393 O GLY A 30 1.432 -5.629 -12.265 1.00 0.00 O ATOM 0 H GLY A 30 3.291 -8.640 -11.158 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.875 -6.467 -12.651 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.956 -7.440 -13.783 1.00 0.00 H new ATOM 397 N THR A 31 1.185 -7.663 -11.335 1.00 0.00 N ATOM 398 CA THR A 31 -0.068 -7.327 -10.669 1.00 0.00 C ATOM 399 C THR A 31 0.121 -6.173 -9.691 1.00 0.00 C ATOM 400 O THR A 31 1.022 -6.181 -8.852 1.00 0.00 O ATOM 401 CB THR A 31 -0.644 -8.538 -9.912 1.00 0.00 C ATOM 402 OG1 THR A 31 -0.954 -9.590 -10.833 1.00 0.00 O ATOM 403 CG2 THR A 31 -1.895 -8.148 -9.140 1.00 0.00 C ATOM 0 H THR A 31 1.505 -8.618 -11.174 1.00 0.00 H new ATOM 0 HA THR A 31 -0.769 -7.028 -11.448 1.00 0.00 H new ATOM 0 HB THR A 31 0.107 -8.886 -9.203 1.00 0.00 H new ATOM 0 HG1 THR A 31 -1.318 -10.357 -10.343 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.284 -9.019 -8.613 1.00 0.00 H new ATOM 0 HG22 THR A 31 -1.649 -7.368 -8.419 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.649 -7.777 -9.833 1.00 0.00 H new ATOM 411 N PRO A 32 -0.747 -5.157 -9.799 1.00 0.00 N ATOM 412 CA PRO A 32 -0.697 -3.977 -8.930 1.00 0.00 C ATOM 413 C PRO A 32 -1.098 -4.297 -7.494 1.00 0.00 C ATOM 414 O PRO A 32 -2.166 -4.859 -7.248 1.00 0.00 O ATOM 415 CB PRO A 32 -1.710 -3.023 -9.568 1.00 0.00 C ATOM 416 CG PRO A 32 -2.659 -3.911 -10.297 1.00 0.00 C ATOM 417 CD PRO A 32 -1.846 -5.082 -10.776 1.00 0.00 C ATOM 0 HA PRO A 32 0.310 -3.566 -8.859 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -2.224 -2.429 -8.813 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -1.222 -2.323 -10.246 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.467 -4.239 -9.643 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -3.119 -3.387 -11.135 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -2.434 -6.000 -10.791 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -1.474 -4.925 -11.788 1.00 0.00 H new ATOM 425 N ILE A 33 -0.235 -3.937 -6.549 1.00 0.00 N ATOM 426 CA ILE A 33 -0.502 -4.184 -5.138 1.00 0.00 C ATOM 427 C ILE A 33 -1.355 -3.073 -4.536 1.00 0.00 C ATOM 428 O ILE A 33 -2.511 -3.290 -4.173 1.00 0.00 O ATOM 429 CB ILE A 33 0.805 -4.307 -4.332 1.00 0.00 C ATOM 430 CG1 ILE A 33 1.638 -5.483 -4.845 1.00 0.00 C ATOM 431 CG2 ILE A 33 0.500 -4.473 -2.851 1.00 0.00 C ATOM 432 CD1 ILE A 33 3.119 -5.338 -4.575 1.00 0.00 C ATOM 0 H ILE A 33 0.654 -3.474 -6.736 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.046 -5.127 -5.080 1.00 0.00 H new ATOM 0 HB ILE A 33 1.383 -3.392 -4.464 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.280 -6.401 -4.380 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.481 -5.588 -5.919 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.433 -4.559 -2.295 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.057 -3.606 -2.495 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.096 -5.373 -2.701 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.647 -6.208 -4.966 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.491 -4.438 -5.064 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.287 -5.264 -3.501 1.00 0.00 H new ATOM 444 N LEU A 34 -0.778 -1.881 -4.435 1.00 0.00 N ATOM 445 CA LEU A 34 -1.485 -0.733 -3.879 1.00 0.00 C ATOM 446 C LEU A 34 -0.887 0.575 -4.388 1.00 0.00 C ATOM 447 O LEU A 34 0.075 0.570 -5.156 1.00 0.00 O ATOM 448 CB LEU A 34 -1.435 -0.769 -2.350 1.00 0.00 C ATOM 449 CG LEU A 34 -0.039 -0.800 -1.726 1.00 0.00 C ATOM 450 CD1 LEU A 34 0.543 0.603 -1.651 1.00 0.00 C ATOM 451 CD2 LEU A 34 -0.088 -1.433 -0.343 1.00 0.00 C ATOM 0 H LEU A 34 0.178 -1.684 -4.731 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.524 -0.786 -4.204 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.963 0.105 -1.968 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.984 -1.647 -2.009 1.00 0.00 H new ATOM 0 HG LEU A 34 0.608 -1.407 -2.359 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.536 0.561 -1.204 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.614 1.022 -2.655 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.103 1.233 -1.040 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.914 -1.447 0.086 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.750 -0.853 0.300 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.463 -2.453 -0.423 1.00 0.00 H new ATOM 463 N GLN A 35 -1.462 1.692 -3.954 1.00 0.00 N ATOM 464 CA GLN A 35 -0.984 3.006 -4.365 1.00 0.00 C ATOM 465 C GLN A 35 -0.638 3.863 -3.152 1.00 0.00 C ATOM 466 O GLN A 35 -1.412 3.949 -2.197 1.00 0.00 O ATOM 467 CB GLN A 35 -2.040 3.712 -5.218 1.00 0.00 C ATOM 468 CG GLN A 35 -1.809 5.208 -5.357 1.00 0.00 C ATOM 469 CD GLN A 35 -0.489 5.535 -6.029 1.00 0.00 C ATOM 470 OE1 GLN A 35 0.555 4.992 -5.669 1.00 0.00 O ATOM 471 NE2 GLN A 35 -0.530 6.427 -7.012 1.00 0.00 N ATOM 0 H GLN A 35 -2.259 1.713 -3.318 1.00 0.00 H new ATOM 0 HA GLN A 35 -0.081 2.867 -4.959 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -2.054 3.261 -6.210 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -3.023 3.544 -4.777 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -2.624 5.646 -5.933 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -1.834 5.669 -4.370 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -1.418 6.853 -7.278 1.00 0.00 H new ATOM 0 HE22 GLN A 35 0.327 6.687 -7.501 1.00 0.00 H new ATOM 480 N LEU A 36 0.530 4.496 -3.195 1.00 0.00 N ATOM 481 CA LEU A 36 0.980 5.347 -2.099 1.00 0.00 C ATOM 482 C LEU A 36 0.661 6.812 -2.381 1.00 0.00 C ATOM 483 O LEU A 36 1.136 7.383 -3.363 1.00 0.00 O ATOM 484 CB LEU A 36 2.483 5.174 -1.876 1.00 0.00 C ATOM 485 CG LEU A 36 2.953 3.758 -1.539 1.00 0.00 C ATOM 486 CD1 LEU A 36 4.368 3.531 -2.046 1.00 0.00 C ATOM 487 CD2 LEU A 36 2.875 3.514 -0.039 1.00 0.00 C ATOM 0 H LEU A 36 1.182 4.436 -3.977 1.00 0.00 H new ATOM 0 HA LEU A 36 0.449 5.046 -1.196 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.004 5.504 -2.775 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.789 5.839 -1.068 1.00 0.00 H new ATOM 0 HG LEU A 36 2.293 3.048 -2.037 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.686 2.518 -1.797 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.393 3.664 -3.128 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.042 4.248 -1.577 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.213 2.502 0.183 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.511 4.231 0.480 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.845 3.634 0.296 1.00 0.00 H new ATOM 499 N ARG A 37 -0.144 7.415 -1.512 1.00 0.00 N ATOM 500 CA ARG A 37 -0.525 8.814 -1.668 1.00 0.00 C ATOM 501 C ARG A 37 0.101 9.672 -0.572 1.00 0.00 C ATOM 502 O ARG A 37 0.274 9.223 0.560 1.00 0.00 O ATOM 503 CB ARG A 37 -2.047 8.957 -1.635 1.00 0.00 C ATOM 504 CG ARG A 37 -2.706 8.764 -2.991 1.00 0.00 C ATOM 505 CD ARG A 37 -2.358 9.896 -3.945 1.00 0.00 C ATOM 506 NE ARG A 37 -1.147 9.612 -4.711 1.00 0.00 N ATOM 507 CZ ARG A 37 -0.675 10.411 -5.662 1.00 0.00 C ATOM 508 NH1 ARG A 37 -1.308 11.537 -5.961 1.00 0.00 N ATOM 509 NH2 ARG A 37 0.434 10.084 -6.314 1.00 0.00 N ATOM 0 H ARG A 37 -0.545 6.957 -0.693 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.156 9.160 -2.633 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.457 8.229 -0.934 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.302 9.946 -1.254 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -2.387 7.814 -3.420 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.788 8.711 -2.867 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -3.190 10.062 -4.630 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -2.222 10.818 -3.380 1.00 0.00 H new ATOM 0 HE ARG A 37 -0.636 8.754 -4.505 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -2.159 11.792 -5.461 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -0.943 12.148 -6.691 1.00 0.00 H new ATOM 0 HH21 ARG A 37 0.924 9.219 -6.085 1.00 0.00 H new ATOM 0 HH22 ARG A 37 0.796 10.697 -7.044 1.00 0.00 H new ATOM 523 N ALA A 38 0.439 10.910 -0.919 1.00 0.00 N ATOM 524 CA ALA A 38 1.044 11.832 0.035 1.00 0.00 C ATOM 525 C ALA A 38 0.021 12.837 0.553 1.00 0.00 C ATOM 526 O ALA A 38 0.319 14.021 0.701 1.00 0.00 O ATOM 527 CB ALA A 38 2.220 12.555 -0.604 1.00 0.00 C ATOM 0 H ALA A 38 0.304 11.297 -1.853 1.00 0.00 H new ATOM 0 HA ALA A 38 1.405 11.252 0.884 1.00 0.00 H new ATOM 0 HB1 ALA A 38 2.662 13.240 0.119 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.968 11.827 -0.918 1.00 0.00 H new ATOM 0 HB3 ALA A 38 1.874 13.117 -1.471 1.00 0.00 H new ATOM 533 N ALA A 39 -1.188 12.356 0.826 1.00 0.00 N ATOM 534 CA ALA A 39 -2.255 13.212 1.328 1.00 0.00 C ATOM 535 C ALA A 39 -1.906 13.777 2.701 1.00 0.00 C ATOM 536 O ALA A 39 -2.174 13.151 3.727 1.00 0.00 O ATOM 537 CB ALA A 39 -3.565 12.441 1.390 1.00 0.00 C ATOM 0 H ALA A 39 -1.452 11.378 0.708 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.371 14.048 0.639 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.353 13.093 1.767 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.829 12.092 0.392 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.452 11.585 2.056 1.00 0.00 H new ATOM 543 N ASP A 40 -1.305 14.961 2.712 1.00 0.00 N ATOM 544 CA ASP A 40 -0.919 15.611 3.960 1.00 0.00 C ATOM 545 C ASP A 40 -1.371 17.068 3.976 1.00 0.00 C ATOM 546 O ASP A 40 -1.930 17.545 4.965 1.00 0.00 O ATOM 547 CB ASP A 40 0.596 15.531 4.153 1.00 0.00 C ATOM 548 CG ASP A 40 1.045 16.140 5.467 1.00 0.00 C ATOM 549 OD1 ASP A 40 0.280 16.945 6.040 1.00 0.00 O ATOM 550 OD2 ASP A 40 2.160 15.812 5.923 1.00 0.00 O ATOM 0 H ASP A 40 -1.074 15.491 1.871 1.00 0.00 H new ATOM 0 HA ASP A 40 -1.410 15.089 4.781 1.00 0.00 H new ATOM 0 HB2 ASP A 40 0.910 14.488 4.113 1.00 0.00 H new ATOM 0 HB3 ASP A 40 1.092 16.045 3.329 1.00 0.00 H new ATOM 555 N LEU A 41 -1.123 17.771 2.876 1.00 0.00 N ATOM 556 CA LEU A 41 -1.504 19.175 2.764 1.00 0.00 C ATOM 557 C LEU A 41 -2.159 19.455 1.416 1.00 0.00 C ATOM 558 O LEU A 41 -3.283 19.955 1.352 1.00 0.00 O ATOM 559 CB LEU A 41 -0.278 20.072 2.945 1.00 0.00 C ATOM 560 CG LEU A 41 0.590 19.784 4.171 1.00 0.00 C ATOM 561 CD1 LEU A 41 1.955 20.438 4.024 1.00 0.00 C ATOM 562 CD2 LEU A 41 -0.101 20.265 5.438 1.00 0.00 C ATOM 0 H LEU A 41 -0.660 17.392 2.050 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.226 19.394 3.550 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.345 19.985 2.055 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.615 21.107 2.998 1.00 0.00 H new ATOM 0 HG LEU A 41 0.733 18.706 4.246 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.559 20.222 4.906 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.453 20.045 3.138 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.833 21.516 3.923 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.531 20.052 6.300 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.275 21.339 5.372 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.055 19.749 5.551 1.00 0.00 H new ATOM 574 N ASP A 42 -1.451 19.129 0.340 1.00 0.00 N ATOM 575 CA ASP A 42 -1.964 19.343 -1.008 1.00 0.00 C ATOM 576 C ASP A 42 -2.397 18.024 -1.640 1.00 0.00 C ATOM 577 O ASP A 42 -1.753 17.525 -2.563 1.00 0.00 O ATOM 578 CB ASP A 42 -0.904 20.018 -1.880 1.00 0.00 C ATOM 579 CG ASP A 42 -0.588 21.427 -1.420 1.00 0.00 C ATOM 580 OD1 ASP A 42 -0.049 21.580 -0.304 1.00 0.00 O ATOM 581 OD2 ASP A 42 -0.879 22.378 -2.176 1.00 0.00 O ATOM 0 H ASP A 42 -0.519 18.715 0.375 1.00 0.00 H new ATOM 0 HA ASP A 42 -2.835 19.995 -0.939 1.00 0.00 H new ATOM 0 HB2 ASP A 42 0.008 19.421 -1.866 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -1.251 20.045 -2.913 1.00 0.00 H new ATOM 586 N VAL A 43 -3.491 17.463 -1.136 1.00 0.00 N ATOM 587 CA VAL A 43 -4.010 16.201 -1.651 1.00 0.00 C ATOM 588 C VAL A 43 -4.331 16.305 -3.138 1.00 0.00 C ATOM 589 O VAL A 43 -4.446 15.295 -3.831 1.00 0.00 O ATOM 590 CB VAL A 43 -5.278 15.764 -0.893 1.00 0.00 C ATOM 591 CG1 VAL A 43 -5.677 14.351 -1.291 1.00 0.00 C ATOM 592 CG2 VAL A 43 -5.060 15.862 0.609 1.00 0.00 C ATOM 0 H VAL A 43 -4.035 17.862 -0.371 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.231 15.454 -1.501 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.093 16.436 -1.164 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.575 14.059 -0.746 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -5.876 14.317 -2.362 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.867 13.663 -1.051 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.965 15.550 1.129 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -4.233 15.214 0.900 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.825 16.892 0.876 1.00 0.00 H new ATOM 602 N GLY A 44 -4.474 17.535 -3.622 1.00 0.00 N ATOM 603 CA GLY A 44 -4.780 17.749 -5.025 1.00 0.00 C ATOM 604 C GLY A 44 -3.565 17.583 -5.915 1.00 0.00 C ATOM 605 O GLY A 44 -3.427 16.575 -6.608 1.00 0.00 O ATOM 0 H GLY A 44 -4.384 18.387 -3.068 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.553 17.047 -5.336 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -5.188 18.751 -5.156 1.00 0.00 H new ATOM 609 N VAL A 45 -2.681 18.576 -5.899 1.00 0.00 N ATOM 610 CA VAL A 45 -1.471 18.535 -6.711 1.00 0.00 C ATOM 611 C VAL A 45 -0.964 17.107 -6.872 1.00 0.00 C ATOM 612 O VAL A 45 -0.874 16.356 -5.901 1.00 0.00 O ATOM 613 CB VAL A 45 -0.353 19.399 -6.097 1.00 0.00 C ATOM 614 CG1 VAL A 45 0.197 18.745 -4.838 1.00 0.00 C ATOM 615 CG2 VAL A 45 0.755 19.637 -7.112 1.00 0.00 C ATOM 0 H VAL A 45 -2.780 19.418 -5.333 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.734 18.936 -7.690 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.775 20.365 -5.821 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.986 19.370 -4.418 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.604 18.632 -4.107 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.604 17.764 -5.085 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.536 20.249 -6.661 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.177 18.681 -7.421 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.347 20.152 -7.982 1.00 0.00 H new ATOM 625 N ASN A 46 -0.632 16.737 -8.105 1.00 0.00 N ATOM 626 CA ASN A 46 -0.134 15.398 -8.393 1.00 0.00 C ATOM 627 C ASN A 46 0.745 14.888 -7.255 1.00 0.00 C ATOM 628 O ASN A 46 0.655 13.726 -6.860 1.00 0.00 O ATOM 629 CB ASN A 46 0.657 15.396 -9.703 1.00 0.00 C ATOM 630 CG ASN A 46 -0.241 15.296 -10.921 1.00 0.00 C ATOM 631 OD1 ASN A 46 -1.149 14.465 -10.969 1.00 0.00 O ATOM 632 ND2 ASN A 46 0.009 16.143 -11.912 1.00 0.00 N ATOM 0 H ASN A 46 -0.699 17.346 -8.920 1.00 0.00 H new ATOM 0 HA ASN A 46 -0.991 14.732 -8.493 1.00 0.00 H new ATOM 0 HB2 ASN A 46 1.251 16.308 -9.767 1.00 0.00 H new ATOM 0 HB3 ASN A 46 1.356 14.560 -9.701 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -0.562 16.122 -12.757 1.00 0.00 H new ATOM 0 HD22 ASN A 46 0.772 16.815 -11.828 1.00 0.00 H new ATOM 639 N GLY A 47 1.595 15.766 -6.731 1.00 0.00 N ATOM 640 CA GLY A 47 2.478 15.386 -5.644 1.00 0.00 C ATOM 641 C GLY A 47 3.927 15.291 -6.079 1.00 0.00 C ATOM 642 O GLY A 47 4.357 14.264 -6.602 1.00 0.00 O ATOM 0 H GLY A 47 1.688 16.734 -7.040 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.391 16.115 -4.838 1.00 0.00 H new ATOM 0 HA3 GLY A 47 2.159 14.425 -5.241 1.00 0.00 H new ATOM 646 N GLN A 48 4.679 16.365 -5.863 1.00 0.00 N ATOM 647 CA GLN A 48 6.088 16.398 -6.240 1.00 0.00 C ATOM 648 C GLN A 48 6.941 15.651 -5.220 1.00 0.00 C ATOM 649 O GLN A 48 7.992 16.137 -4.801 1.00 0.00 O ATOM 650 CB GLN A 48 6.570 17.844 -6.365 1.00 0.00 C ATOM 651 CG GLN A 48 5.803 18.654 -7.397 1.00 0.00 C ATOM 652 CD GLN A 48 6.349 18.478 -8.801 1.00 0.00 C ATOM 653 OE1 GLN A 48 7.211 19.237 -9.243 1.00 0.00 O ATOM 654 NE2 GLN A 48 5.849 17.472 -9.509 1.00 0.00 N ATOM 0 H GLN A 48 4.337 17.223 -5.430 1.00 0.00 H new ATOM 0 HA GLN A 48 6.192 15.903 -7.206 1.00 0.00 H new ATOM 0 HB2 GLN A 48 6.483 18.332 -5.394 1.00 0.00 H new ATOM 0 HB3 GLN A 48 7.628 17.844 -6.628 1.00 0.00 H new ATOM 0 HG2 GLN A 48 4.754 18.358 -7.379 1.00 0.00 H new ATOM 0 HG3 GLN A 48 5.841 19.709 -7.126 1.00 0.00 H new ATOM 0 HE21 GLN A 48 5.135 16.867 -9.102 1.00 0.00 H new ATOM 0 HE22 GLN A 48 6.179 17.304 -10.459 1.00 0.00 H new ATOM 663 N ILE A 49 6.483 14.468 -4.825 1.00 0.00 N ATOM 664 CA ILE A 49 7.205 13.654 -3.855 1.00 0.00 C ATOM 665 C ILE A 49 7.551 12.286 -4.434 1.00 0.00 C ATOM 666 O ILE A 49 6.669 11.542 -4.860 1.00 0.00 O ATOM 667 CB ILE A 49 6.390 13.462 -2.563 1.00 0.00 C ATOM 668 CG1 ILE A 49 6.002 14.819 -1.972 1.00 0.00 C ATOM 669 CG2 ILE A 49 7.182 12.644 -1.554 1.00 0.00 C ATOM 670 CD1 ILE A 49 7.179 15.601 -1.432 1.00 0.00 C ATOM 0 H ILE A 49 5.615 14.052 -5.162 1.00 0.00 H new ATOM 0 HA ILE A 49 8.125 14.188 -3.618 1.00 0.00 H new ATOM 0 HB ILE A 49 5.477 12.918 -2.804 1.00 0.00 H new ATOM 0 HG12 ILE A 49 5.504 15.411 -2.739 1.00 0.00 H new ATOM 0 HG13 ILE A 49 5.280 14.664 -1.170 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.593 12.517 -0.646 1.00 0.00 H new ATOM 0 HG22 ILE A 49 7.411 11.666 -1.978 1.00 0.00 H new ATOM 0 HG23 ILE A 49 8.111 13.162 -1.314 1.00 0.00 H new ATOM 0 HD11 ILE A 49 6.830 16.552 -1.029 1.00 0.00 H new ATOM 0 HD12 ILE A 49 7.665 15.028 -0.642 1.00 0.00 H new ATOM 0 HD13 ILE A 49 7.892 15.787 -2.236 1.00 0.00 H new ATOM 682 N GLU A 50 8.840 11.962 -4.443 1.00 0.00 N ATOM 683 CA GLU A 50 9.301 10.682 -4.968 1.00 0.00 C ATOM 684 C GLU A 50 9.104 9.570 -3.942 1.00 0.00 C ATOM 685 O GLU A 50 9.184 9.802 -2.736 1.00 0.00 O ATOM 686 CB GLU A 50 10.776 10.770 -5.364 1.00 0.00 C ATOM 687 CG GLU A 50 11.707 11.030 -4.191 1.00 0.00 C ATOM 688 CD GLU A 50 12.948 11.805 -4.592 1.00 0.00 C ATOM 689 OE1 GLU A 50 13.922 11.171 -5.047 1.00 0.00 O ATOM 690 OE2 GLU A 50 12.943 13.045 -4.450 1.00 0.00 O ATOM 0 H GLU A 50 9.583 12.567 -4.093 1.00 0.00 H new ATOM 0 HA GLU A 50 8.708 10.446 -5.852 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.069 9.840 -5.850 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.899 11.566 -6.098 1.00 0.00 H new ATOM 0 HG2 GLU A 50 11.170 11.584 -3.421 1.00 0.00 H new ATOM 0 HG3 GLU A 50 12.004 10.079 -3.750 1.00 0.00 H new ATOM 697 N TYR A 51 8.844 8.362 -4.430 1.00 0.00 N ATOM 698 CA TYR A 51 8.632 7.214 -3.557 1.00 0.00 C ATOM 699 C TYR A 51 9.636 6.106 -3.860 1.00 0.00 C ATOM 700 O TYR A 51 9.421 5.283 -4.751 1.00 0.00 O ATOM 701 CB TYR A 51 7.206 6.683 -3.715 1.00 0.00 C ATOM 702 CG TYR A 51 6.165 7.772 -3.840 1.00 0.00 C ATOM 703 CD1 TYR A 51 5.912 8.381 -5.063 1.00 0.00 C ATOM 704 CD2 TYR A 51 5.435 8.193 -2.735 1.00 0.00 C ATOM 705 CE1 TYR A 51 4.962 9.377 -5.182 1.00 0.00 C ATOM 706 CE2 TYR A 51 4.482 9.187 -2.845 1.00 0.00 C ATOM 707 CZ TYR A 51 4.249 9.776 -4.070 1.00 0.00 C ATOM 708 OH TYR A 51 3.302 10.767 -4.184 1.00 0.00 O ATOM 0 H TYR A 51 8.775 8.153 -5.426 1.00 0.00 H new ATOM 0 HA TYR A 51 8.779 7.541 -2.528 1.00 0.00 H new ATOM 0 HB2 TYR A 51 7.160 6.045 -4.598 1.00 0.00 H new ATOM 0 HB3 TYR A 51 6.963 6.057 -2.857 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.468 8.070 -5.936 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.616 7.735 -1.774 1.00 0.00 H new ATOM 0 HE1 TYR A 51 4.778 9.841 -6.140 1.00 0.00 H new ATOM 0 HE2 TYR A 51 3.922 9.501 -1.976 1.00 0.00 H new ATOM 0 HH TYR A 51 2.890 10.928 -3.309 1.00 0.00 H new ATOM 718 N VAL A 52 10.735 6.091 -3.112 1.00 0.00 N ATOM 719 CA VAL A 52 11.773 5.084 -3.298 1.00 0.00 C ATOM 720 C VAL A 52 11.768 4.072 -2.157 1.00 0.00 C ATOM 721 O VAL A 52 11.075 4.254 -1.156 1.00 0.00 O ATOM 722 CB VAL A 52 13.169 5.727 -3.394 1.00 0.00 C ATOM 723 CG1 VAL A 52 13.278 6.583 -4.646 1.00 0.00 C ATOM 724 CG2 VAL A 52 13.462 6.550 -2.148 1.00 0.00 C ATOM 0 H VAL A 52 10.929 6.765 -2.371 1.00 0.00 H new ATOM 0 HA VAL A 52 11.553 4.572 -4.235 1.00 0.00 H new ATOM 0 HB VAL A 52 13.912 4.933 -3.461 1.00 0.00 H new ATOM 0 HG11 VAL A 52 14.271 7.029 -4.696 1.00 0.00 H new ATOM 0 HG12 VAL A 52 13.114 5.962 -5.527 1.00 0.00 H new ATOM 0 HG13 VAL A 52 12.527 7.372 -4.614 1.00 0.00 H new ATOM 0 HG21 VAL A 52 14.452 6.997 -2.232 1.00 0.00 H new ATOM 0 HG22 VAL A 52 12.715 7.338 -2.048 1.00 0.00 H new ATOM 0 HG23 VAL A 52 13.429 5.905 -1.270 1.00 0.00 H new ATOM 734 N PHE A 53 12.546 3.007 -2.315 1.00 0.00 N ATOM 735 CA PHE A 53 12.632 1.966 -1.298 1.00 0.00 C ATOM 736 C PHE A 53 13.577 2.380 -0.173 1.00 0.00 C ATOM 737 O PHE A 53 14.797 2.342 -0.327 1.00 0.00 O ATOM 738 CB PHE A 53 13.109 0.652 -1.921 1.00 0.00 C ATOM 739 CG PHE A 53 11.988 -0.222 -2.407 1.00 0.00 C ATOM 740 CD1 PHE A 53 11.125 -0.828 -1.508 1.00 0.00 C ATOM 741 CD2 PHE A 53 11.799 -0.439 -3.762 1.00 0.00 C ATOM 742 CE1 PHE A 53 10.093 -1.633 -1.951 1.00 0.00 C ATOM 743 CE2 PHE A 53 10.768 -1.243 -4.211 1.00 0.00 C ATOM 744 CZ PHE A 53 9.915 -1.841 -3.305 1.00 0.00 C ATOM 0 H PHE A 53 13.126 2.842 -3.138 1.00 0.00 H new ATOM 0 HA PHE A 53 11.637 1.821 -0.878 1.00 0.00 H new ATOM 0 HB2 PHE A 53 13.773 0.875 -2.756 1.00 0.00 H new ATOM 0 HB3 PHE A 53 13.695 0.102 -1.185 1.00 0.00 H new ATOM 0 HD1 PHE A 53 11.261 -0.669 -0.448 1.00 0.00 H new ATOM 0 HD2 PHE A 53 12.464 0.025 -4.475 1.00 0.00 H new ATOM 0 HE1 PHE A 53 9.427 -2.099 -1.240 1.00 0.00 H new ATOM 0 HE2 PHE A 53 10.630 -1.403 -5.270 1.00 0.00 H new ATOM 0 HZ PHE A 53 9.110 -2.470 -3.654 1.00 0.00 H new ATOM 754 N GLY A 54 13.002 2.777 0.958 1.00 0.00 N ATOM 755 CA GLY A 54 13.807 3.194 2.092 1.00 0.00 C ATOM 756 C GLY A 54 14.487 2.027 2.780 1.00 0.00 C ATOM 757 O GLY A 54 15.475 1.492 2.278 1.00 0.00 O ATOM 0 H GLY A 54 11.994 2.817 1.109 1.00 0.00 H new ATOM 0 HA2 GLY A 54 14.563 3.904 1.756 1.00 0.00 H new ATOM 0 HA3 GLY A 54 13.175 3.717 2.810 1.00 0.00 H new ATOM 761 N ALA A 55 13.959 1.633 3.934 1.00 0.00 N ATOM 762 CA ALA A 55 14.522 0.522 4.692 1.00 0.00 C ATOM 763 C ALA A 55 14.005 -0.815 4.173 1.00 0.00 C ATOM 764 O ALA A 55 13.092 -1.405 4.750 1.00 0.00 O ATOM 765 CB ALA A 55 14.200 0.676 6.171 1.00 0.00 C ATOM 0 H ALA A 55 13.142 2.066 4.365 1.00 0.00 H new ATOM 0 HA ALA A 55 15.604 0.538 4.563 1.00 0.00 H new ATOM 0 HB1 ALA A 55 14.626 -0.160 6.725 1.00 0.00 H new ATOM 0 HB2 ALA A 55 14.624 1.610 6.540 1.00 0.00 H new ATOM 0 HB3 ALA A 55 13.119 0.689 6.309 1.00 0.00 H new ATOM 771 N ALA A 56 14.593 -1.287 3.079 1.00 0.00 N ATOM 772 CA ALA A 56 14.193 -2.555 2.482 1.00 0.00 C ATOM 773 C ALA A 56 15.408 -3.355 2.025 1.00 0.00 C ATOM 774 O ALA A 56 16.529 -2.847 2.010 1.00 0.00 O ATOM 775 CB ALA A 56 13.248 -2.314 1.314 1.00 0.00 C ATOM 0 H ALA A 56 15.349 -0.810 2.588 1.00 0.00 H new ATOM 0 HA ALA A 56 13.673 -3.137 3.242 1.00 0.00 H new ATOM 0 HB1 ALA A 56 12.958 -3.270 0.878 1.00 0.00 H new ATOM 0 HB2 ALA A 56 12.359 -1.791 1.667 1.00 0.00 H new ATOM 0 HB3 ALA A 56 13.749 -1.708 0.559 1.00 0.00 H new ATOM 781 N THR A 57 15.178 -4.611 1.654 1.00 0.00 N ATOM 782 CA THR A 57 16.254 -5.482 1.199 1.00 0.00 C ATOM 783 C THR A 57 16.150 -5.749 -0.298 1.00 0.00 C ATOM 784 O THR A 57 15.101 -5.533 -0.904 1.00 0.00 O ATOM 785 CB THR A 57 16.245 -6.827 1.951 1.00 0.00 C ATOM 786 OG1 THR A 57 17.256 -7.691 1.421 1.00 0.00 O ATOM 787 CG2 THR A 57 14.885 -7.500 1.839 1.00 0.00 C ATOM 0 H THR A 57 14.256 -5.047 1.660 1.00 0.00 H new ATOM 0 HA THR A 57 17.190 -4.963 1.408 1.00 0.00 H new ATOM 0 HB THR A 57 16.450 -6.632 3.003 1.00 0.00 H new ATOM 0 HG1 THR A 57 17.245 -8.543 1.905 1.00 0.00 H new ATOM 0 HG21 THR A 57 14.903 -8.448 2.377 1.00 0.00 H new ATOM 0 HG22 THR A 57 14.122 -6.852 2.270 1.00 0.00 H new ATOM 0 HG23 THR A 57 14.655 -7.683 0.789 1.00 0.00 H new ATOM 795 N GLU A 58 17.243 -6.221 -0.888 1.00 0.00 N ATOM 796 CA GLU A 58 17.273 -6.517 -2.316 1.00 0.00 C ATOM 797 C GLU A 58 16.124 -7.444 -2.703 1.00 0.00 C ATOM 798 O GLU A 58 15.354 -7.148 -3.616 1.00 0.00 O ATOM 799 CB GLU A 58 18.609 -7.155 -2.700 1.00 0.00 C ATOM 800 CG GLU A 58 18.599 -7.812 -4.070 1.00 0.00 C ATOM 801 CD GLU A 58 18.719 -6.807 -5.199 1.00 0.00 C ATOM 802 OE1 GLU A 58 19.847 -6.337 -5.458 1.00 0.00 O ATOM 803 OE2 GLU A 58 17.685 -6.491 -5.824 1.00 0.00 O ATOM 0 H GLU A 58 18.119 -6.407 -0.400 1.00 0.00 H new ATOM 0 HA GLU A 58 17.159 -5.578 -2.858 1.00 0.00 H new ATOM 0 HB2 GLU A 58 19.386 -6.391 -2.679 1.00 0.00 H new ATOM 0 HB3 GLU A 58 18.874 -7.901 -1.951 1.00 0.00 H new ATOM 0 HG2 GLU A 58 19.422 -8.524 -4.133 1.00 0.00 H new ATOM 0 HG3 GLU A 58 17.676 -8.379 -4.190 1.00 0.00 H new ATOM 810 N SER A 59 16.016 -8.568 -2.001 1.00 0.00 N ATOM 811 CA SER A 59 14.965 -9.542 -2.273 1.00 0.00 C ATOM 812 C SER A 59 13.613 -8.852 -2.426 1.00 0.00 C ATOM 813 O SER A 59 12.756 -9.302 -3.187 1.00 0.00 O ATOM 814 CB SER A 59 14.898 -10.579 -1.150 1.00 0.00 C ATOM 815 OG SER A 59 16.136 -11.253 -1.004 1.00 0.00 O ATOM 0 H SER A 59 16.644 -8.827 -1.240 1.00 0.00 H new ATOM 0 HA SER A 59 15.204 -10.047 -3.209 1.00 0.00 H new ATOM 0 HB2 SER A 59 14.635 -10.088 -0.213 1.00 0.00 H new ATOM 0 HB3 SER A 59 14.110 -11.301 -1.364 1.00 0.00 H new ATOM 0 HG SER A 59 16.068 -11.909 -0.279 1.00 0.00 H new ATOM 821 N VAL A 60 13.428 -7.757 -1.696 1.00 0.00 N ATOM 822 CA VAL A 60 12.181 -7.003 -1.750 1.00 0.00 C ATOM 823 C VAL A 60 12.100 -6.165 -3.020 1.00 0.00 C ATOM 824 O VAL A 60 11.378 -6.507 -3.957 1.00 0.00 O ATOM 825 CB VAL A 60 12.031 -6.079 -0.527 1.00 0.00 C ATOM 826 CG1 VAL A 60 10.883 -5.102 -0.734 1.00 0.00 C ATOM 827 CG2 VAL A 60 11.823 -6.898 0.738 1.00 0.00 C ATOM 0 H VAL A 60 14.126 -7.372 -1.060 1.00 0.00 H new ATOM 0 HA VAL A 60 11.370 -7.731 -1.747 1.00 0.00 H new ATOM 0 HB VAL A 60 12.950 -5.504 -0.413 1.00 0.00 H new ATOM 0 HG11 VAL A 60 10.792 -4.457 0.140 1.00 0.00 H new ATOM 0 HG12 VAL A 60 11.079 -4.492 -1.616 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.955 -5.656 -0.875 1.00 0.00 H new ATOM 0 HG21 VAL A 60 11.719 -6.229 1.592 1.00 0.00 H new ATOM 0 HG22 VAL A 60 10.920 -7.500 0.637 1.00 0.00 H new ATOM 0 HG23 VAL A 60 12.681 -7.553 0.893 1.00 0.00 H new ATOM 837 N ARG A 61 12.846 -5.066 -3.046 1.00 0.00 N ATOM 838 CA ARG A 61 12.859 -4.177 -4.202 1.00 0.00 C ATOM 839 C ARG A 61 12.875 -4.976 -5.502 1.00 0.00 C ATOM 840 O ARG A 61 12.343 -4.535 -6.520 1.00 0.00 O ATOM 841 CB ARG A 61 14.073 -3.249 -4.145 1.00 0.00 C ATOM 842 CG ARG A 61 15.383 -3.938 -4.493 1.00 0.00 C ATOM 843 CD ARG A 61 16.514 -2.934 -4.653 1.00 0.00 C ATOM 844 NE ARG A 61 17.808 -3.506 -4.288 1.00 0.00 N ATOM 845 CZ ARG A 61 18.857 -2.777 -3.924 1.00 0.00 C ATOM 846 NH1 ARG A 61 18.765 -1.455 -3.875 1.00 0.00 N ATOM 847 NH2 ARG A 61 20.001 -3.371 -3.606 1.00 0.00 N ATOM 0 H ARG A 61 13.450 -4.769 -2.279 1.00 0.00 H new ATOM 0 HA ARG A 61 11.950 -3.576 -4.177 1.00 0.00 H new ATOM 0 HB2 ARG A 61 13.916 -2.417 -4.831 1.00 0.00 H new ATOM 0 HB3 ARG A 61 14.150 -2.826 -3.143 1.00 0.00 H new ATOM 0 HG2 ARG A 61 15.638 -4.654 -3.711 1.00 0.00 H new ATOM 0 HG3 ARG A 61 15.264 -4.504 -5.417 1.00 0.00 H new ATOM 0 HD2 ARG A 61 16.549 -2.588 -5.686 1.00 0.00 H new ATOM 0 HD3 ARG A 61 16.315 -2.061 -4.031 1.00 0.00 H new ATOM 0 HE ARG A 61 17.911 -4.520 -4.314 1.00 0.00 H new ATOM 0 HH11 ARG A 61 17.887 -0.996 -4.117 1.00 0.00 H new ATOM 0 HH12 ARG A 61 19.572 -0.898 -3.595 1.00 0.00 H new ATOM 0 HH21 ARG A 61 20.075 -4.388 -3.641 1.00 0.00 H new ATOM 0 HH22 ARG A 61 20.806 -2.811 -3.327 1.00 0.00 H new ATOM 861 N ARG A 62 13.491 -6.154 -5.458 1.00 0.00 N ATOM 862 CA ARG A 62 13.579 -7.013 -6.633 1.00 0.00 C ATOM 863 C ARG A 62 12.300 -7.827 -6.807 1.00 0.00 C ATOM 864 O ARG A 62 11.865 -8.087 -7.930 1.00 0.00 O ATOM 865 CB ARG A 62 14.781 -7.951 -6.515 1.00 0.00 C ATOM 866 CG ARG A 62 14.491 -9.217 -5.725 1.00 0.00 C ATOM 867 CD ARG A 62 15.646 -10.202 -5.808 1.00 0.00 C ATOM 868 NE ARG A 62 15.686 -10.893 -7.095 1.00 0.00 N ATOM 869 CZ ARG A 62 16.275 -12.068 -7.280 1.00 0.00 C ATOM 870 NH1 ARG A 62 16.872 -12.682 -6.268 1.00 0.00 N ATOM 871 NH2 ARG A 62 16.269 -12.633 -8.481 1.00 0.00 N ATOM 0 H ARG A 62 13.936 -6.534 -4.623 1.00 0.00 H new ATOM 0 HA ARG A 62 13.707 -6.377 -7.509 1.00 0.00 H new ATOM 0 HB2 ARG A 62 15.116 -8.226 -7.515 1.00 0.00 H new ATOM 0 HB3 ARG A 62 15.603 -7.416 -6.039 1.00 0.00 H new ATOM 0 HG2 ARG A 62 14.304 -8.961 -4.682 1.00 0.00 H new ATOM 0 HG3 ARG A 62 13.584 -9.685 -6.106 1.00 0.00 H new ATOM 0 HD2 ARG A 62 16.586 -9.672 -5.652 1.00 0.00 H new ATOM 0 HD3 ARG A 62 15.556 -10.935 -5.006 1.00 0.00 H new ATOM 0 HE ARG A 62 15.237 -10.448 -7.895 1.00 0.00 H new ATOM 0 HH11 ARG A 62 16.880 -12.252 -5.343 1.00 0.00 H new ATOM 0 HH12 ARG A 62 17.324 -13.585 -6.414 1.00 0.00 H new ATOM 0 HH21 ARG A 62 15.811 -12.164 -9.263 1.00 0.00 H new ATOM 0 HH22 ARG A 62 16.722 -13.536 -8.622 1.00 0.00 H new ATOM 885 N LEU A 63 11.702 -8.227 -5.691 1.00 0.00 N ATOM 886 CA LEU A 63 10.473 -9.013 -5.720 1.00 0.00 C ATOM 887 C LEU A 63 9.276 -8.137 -6.076 1.00 0.00 C ATOM 888 O LEU A 63 8.295 -8.612 -6.650 1.00 0.00 O ATOM 889 CB LEU A 63 10.243 -9.685 -4.365 1.00 0.00 C ATOM 890 CG LEU A 63 8.870 -10.328 -4.160 1.00 0.00 C ATOM 891 CD1 LEU A 63 8.622 -11.402 -5.209 1.00 0.00 C ATOM 892 CD2 LEU A 63 8.759 -10.912 -2.760 1.00 0.00 C ATOM 0 H LEU A 63 12.048 -8.020 -4.754 1.00 0.00 H new ATOM 0 HA LEU A 63 10.579 -9.781 -6.486 1.00 0.00 H new ATOM 0 HB2 LEU A 63 11.005 -10.452 -4.228 1.00 0.00 H new ATOM 0 HB3 LEU A 63 10.394 -8.941 -3.583 1.00 0.00 H new ATOM 0 HG LEU A 63 8.108 -9.557 -4.272 1.00 0.00 H new ATOM 0 HD11 LEU A 63 7.641 -11.848 -5.048 1.00 0.00 H new ATOM 0 HD12 LEU A 63 8.659 -10.955 -6.203 1.00 0.00 H new ATOM 0 HD13 LEU A 63 9.389 -12.173 -5.129 1.00 0.00 H new ATOM 0 HD21 LEU A 63 7.776 -11.365 -2.632 1.00 0.00 H new ATOM 0 HD22 LEU A 63 9.529 -11.670 -2.620 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.892 -10.119 -2.024 1.00 0.00 H new ATOM 904 N LEU A 64 9.364 -6.856 -5.734 1.00 0.00 N ATOM 905 CA LEU A 64 8.289 -5.913 -6.020 1.00 0.00 C ATOM 906 C LEU A 64 8.842 -4.616 -6.602 1.00 0.00 C ATOM 907 O LEU A 64 9.975 -4.229 -6.314 1.00 0.00 O ATOM 908 CB LEU A 64 7.493 -5.615 -4.748 1.00 0.00 C ATOM 909 CG LEU A 64 7.095 -6.828 -3.906 1.00 0.00 C ATOM 910 CD1 LEU A 64 7.001 -6.450 -2.436 1.00 0.00 C ATOM 911 CD2 LEU A 64 5.775 -7.407 -4.396 1.00 0.00 C ATOM 0 H LEU A 64 10.168 -6.447 -5.259 1.00 0.00 H new ATOM 0 HA LEU A 64 7.628 -6.368 -6.757 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.082 -4.942 -4.124 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.586 -5.079 -5.028 1.00 0.00 H new ATOM 0 HG LEU A 64 7.866 -7.591 -4.015 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.717 -7.326 -1.853 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.968 -6.083 -2.092 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.251 -5.670 -2.308 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.507 -8.269 -3.786 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.994 -6.650 -4.318 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.877 -7.716 -5.436 1.00 0.00 H new ATOM 923 N ARG A 65 8.035 -3.948 -7.420 1.00 0.00 N ATOM 924 CA ARG A 65 8.444 -2.695 -8.041 1.00 0.00 C ATOM 925 C ARG A 65 7.604 -1.531 -7.523 1.00 0.00 C ATOM 926 O ARG A 65 6.378 -1.624 -7.444 1.00 0.00 O ATOM 927 CB ARG A 65 8.318 -2.790 -9.563 1.00 0.00 C ATOM 928 CG ARG A 65 9.223 -1.825 -10.311 1.00 0.00 C ATOM 929 CD ARG A 65 8.811 -1.689 -11.768 1.00 0.00 C ATOM 930 NE ARG A 65 9.375 -0.493 -12.388 1.00 0.00 N ATOM 931 CZ ARG A 65 9.463 -0.319 -13.702 1.00 0.00 C ATOM 932 NH1 ARG A 65 9.025 -1.257 -14.530 1.00 0.00 N ATOM 933 NH2 ARG A 65 9.989 0.797 -14.190 1.00 0.00 N ATOM 0 H ARG A 65 7.094 -4.254 -7.668 1.00 0.00 H new ATOM 0 HA ARG A 65 9.486 -2.513 -7.780 1.00 0.00 H new ATOM 0 HB2 ARG A 65 8.550 -3.808 -9.875 1.00 0.00 H new ATOM 0 HB3 ARG A 65 7.283 -2.598 -9.846 1.00 0.00 H new ATOM 0 HG2 ARG A 65 9.191 -0.847 -9.830 1.00 0.00 H new ATOM 0 HG3 ARG A 65 10.254 -2.174 -10.255 1.00 0.00 H new ATOM 0 HD2 ARG A 65 9.136 -2.571 -12.320 1.00 0.00 H new ATOM 0 HD3 ARG A 65 7.724 -1.654 -11.835 1.00 0.00 H new ATOM 0 HE ARG A 65 9.720 0.249 -11.779 1.00 0.00 H new ATOM 0 HH11 ARG A 65 8.619 -2.116 -14.159 1.00 0.00 H new ATOM 0 HH12 ARG A 65 9.094 -1.120 -15.538 1.00 0.00 H new ATOM 0 HH21 ARG A 65 10.326 1.522 -13.556 1.00 0.00 H new ATOM 0 HH22 ARG A 65 10.056 0.930 -15.199 1.00 0.00 H new ATOM 947 N LEU A 66 8.271 -0.438 -7.170 1.00 0.00 N ATOM 948 CA LEU A 66 7.586 0.744 -6.658 1.00 0.00 C ATOM 949 C LEU A 66 7.841 1.952 -7.554 1.00 0.00 C ATOM 950 O LEU A 66 8.978 2.218 -7.945 1.00 0.00 O ATOM 951 CB LEU A 66 8.047 1.047 -5.231 1.00 0.00 C ATOM 952 CG LEU A 66 7.749 2.455 -4.714 1.00 0.00 C ATOM 953 CD1 LEU A 66 6.343 2.525 -4.138 1.00 0.00 C ATOM 954 CD2 LEU A 66 8.776 2.868 -3.671 1.00 0.00 C ATOM 0 H LEU A 66 9.285 -0.345 -7.229 1.00 0.00 H new ATOM 0 HA LEU A 66 6.515 0.539 -6.652 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.578 0.328 -4.559 1.00 0.00 H new ATOM 0 HB3 LEU A 66 9.123 0.881 -5.175 1.00 0.00 H new ATOM 0 HG LEU A 66 7.812 3.150 -5.551 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.148 3.534 -3.775 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.619 2.272 -4.913 1.00 0.00 H new ATOM 0 HD13 LEU A 66 6.252 1.819 -3.313 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.548 3.872 -3.314 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.746 2.170 -2.834 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.771 2.858 -4.116 1.00 0.00 H new ATOM 966 N ASP A 67 6.777 2.680 -7.874 1.00 0.00 N ATOM 967 CA ASP A 67 6.886 3.863 -8.721 1.00 0.00 C ATOM 968 C ASP A 67 7.379 5.062 -7.918 1.00 0.00 C ATOM 969 O ASP A 67 6.944 5.287 -6.790 1.00 0.00 O ATOM 970 CB ASP A 67 5.535 4.183 -9.362 1.00 0.00 C ATOM 971 CG ASP A 67 5.189 3.229 -10.489 1.00 0.00 C ATOM 972 OD1 ASP A 67 6.111 2.818 -11.224 1.00 0.00 O ATOM 973 OD2 ASP A 67 3.995 2.893 -10.635 1.00 0.00 O ATOM 0 H ASP A 67 5.829 2.472 -7.560 1.00 0.00 H new ATOM 0 HA ASP A 67 7.611 3.652 -9.507 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.756 4.140 -8.601 1.00 0.00 H new ATOM 0 HB3 ASP A 67 5.550 5.203 -9.745 1.00 0.00 H new ATOM 978 N GLU A 68 8.291 5.829 -8.509 1.00 0.00 N ATOM 979 CA GLU A 68 8.845 7.004 -7.847 1.00 0.00 C ATOM 980 C GLU A 68 8.142 8.275 -8.318 1.00 0.00 C ATOM 981 O GLU A 68 8.037 9.252 -7.575 1.00 0.00 O ATOM 982 CB GLU A 68 10.347 7.109 -8.117 1.00 0.00 C ATOM 983 CG GLU A 68 10.853 8.540 -8.194 1.00 0.00 C ATOM 984 CD GLU A 68 12.314 8.663 -7.808 1.00 0.00 C ATOM 985 OE1 GLU A 68 13.063 7.682 -7.999 1.00 0.00 O ATOM 986 OE2 GLU A 68 12.709 9.740 -7.314 1.00 0.00 O ATOM 0 H GLU A 68 8.661 5.657 -9.444 1.00 0.00 H new ATOM 0 HA GLU A 68 8.683 6.895 -6.775 1.00 0.00 H new ATOM 0 HB2 GLU A 68 10.887 6.584 -7.329 1.00 0.00 H new ATOM 0 HB3 GLU A 68 10.576 6.601 -9.054 1.00 0.00 H new ATOM 0 HG2 GLU A 68 10.716 8.916 -9.208 1.00 0.00 H new ATOM 0 HG3 GLU A 68 10.253 9.170 -7.537 1.00 0.00 H new ATOM 993 N THR A 69 7.663 8.254 -9.558 1.00 0.00 N ATOM 994 CA THR A 69 6.972 9.403 -10.129 1.00 0.00 C ATOM 995 C THR A 69 5.510 9.434 -9.701 1.00 0.00 C ATOM 996 O THR A 69 4.973 10.491 -9.368 1.00 0.00 O ATOM 997 CB THR A 69 7.045 9.394 -11.668 1.00 0.00 C ATOM 998 OG1 THR A 69 6.392 10.554 -12.196 1.00 0.00 O ATOM 999 CG2 THR A 69 6.397 8.139 -12.233 1.00 0.00 C ATOM 0 H THR A 69 7.741 7.454 -10.186 1.00 0.00 H new ATOM 0 HA THR A 69 7.476 10.294 -9.754 1.00 0.00 H new ATOM 0 HB THR A 69 8.095 9.404 -11.960 1.00 0.00 H new ATOM 0 HG1 THR A 69 6.444 10.542 -13.175 1.00 0.00 H new ATOM 0 HG21 THR A 69 6.461 8.155 -13.321 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.915 7.259 -11.852 1.00 0.00 H new ATOM 0 HG23 THR A 69 5.350 8.103 -11.931 1.00 0.00 H new ATOM 1007 N SER A 70 4.870 8.269 -9.712 1.00 0.00 N ATOM 1008 CA SER A 70 3.467 8.164 -9.327 1.00 0.00 C ATOM 1009 C SER A 70 3.333 7.665 -7.891 1.00 0.00 C ATOM 1010 O SER A 70 2.561 8.208 -7.103 1.00 0.00 O ATOM 1011 CB SER A 70 2.725 7.223 -10.278 1.00 0.00 C ATOM 1012 OG SER A 70 3.022 5.868 -9.988 1.00 0.00 O ATOM 0 H SER A 70 5.300 7.385 -9.983 1.00 0.00 H new ATOM 0 HA SER A 70 3.023 9.157 -9.390 1.00 0.00 H new ATOM 0 HB2 SER A 70 1.651 7.389 -10.195 1.00 0.00 H new ATOM 0 HB3 SER A 70 3.003 7.447 -11.308 1.00 0.00 H new ATOM 0 HG SER A 70 2.535 5.286 -10.608 1.00 0.00 H new ATOM 1018 N GLY A 71 4.093 6.625 -7.560 1.00 0.00 N ATOM 1019 CA GLY A 71 4.045 6.069 -6.220 1.00 0.00 C ATOM 1020 C GLY A 71 3.382 4.706 -6.182 1.00 0.00 C ATOM 1021 O GLY A 71 3.517 3.971 -5.204 1.00 0.00 O ATOM 0 H GLY A 71 4.740 6.158 -8.195 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.058 5.988 -5.827 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.503 6.752 -5.566 1.00 0.00 H new ATOM 1025 N TRP A 72 2.664 4.369 -7.247 1.00 0.00 N ATOM 1026 CA TRP A 72 1.976 3.085 -7.330 1.00 0.00 C ATOM 1027 C TRP A 72 2.924 1.938 -6.998 1.00 0.00 C ATOM 1028 O TRP A 72 4.135 2.042 -7.197 1.00 0.00 O ATOM 1029 CB TRP A 72 1.387 2.889 -8.727 1.00 0.00 C ATOM 1030 CG TRP A 72 -0.018 3.396 -8.856 1.00 0.00 C ATOM 1031 CD1 TRP A 72 -0.406 4.639 -9.266 1.00 0.00 C ATOM 1032 CD2 TRP A 72 -1.220 2.671 -8.572 1.00 0.00 C ATOM 1033 NE1 TRP A 72 -1.777 4.732 -9.253 1.00 0.00 N ATOM 1034 CE2 TRP A 72 -2.300 3.538 -8.832 1.00 0.00 C ATOM 1035 CE3 TRP A 72 -1.489 1.375 -8.125 1.00 0.00 C ATOM 1036 CZ2 TRP A 72 -3.625 3.148 -8.658 1.00 0.00 C ATOM 1037 CZ3 TRP A 72 -2.805 0.989 -7.953 1.00 0.00 C ATOM 1038 CH2 TRP A 72 -3.859 1.873 -8.220 1.00 0.00 C ATOM 0 H TRP A 72 2.543 4.966 -8.065 1.00 0.00 H new ATOM 0 HA TRP A 72 1.167 3.086 -6.600 1.00 0.00 H new ATOM 0 HB2 TRP A 72 2.018 3.400 -9.454 1.00 0.00 H new ATOM 0 HB3 TRP A 72 1.407 1.828 -8.976 1.00 0.00 H new ATOM 0 HD1 TRP A 72 0.266 5.433 -9.558 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -2.318 5.557 -9.514 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -0.683 0.687 -7.918 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -4.439 3.828 -8.861 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -3.025 -0.010 -7.607 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -4.877 1.541 -8.077 1.00 0.00 H new ATOM 1049 N LEU A 73 2.366 0.843 -6.493 1.00 0.00 N ATOM 1050 CA LEU A 73 3.162 -0.325 -6.134 1.00 0.00 C ATOM 1051 C LEU A 73 2.629 -1.579 -6.821 1.00 0.00 C ATOM 1052 O LEU A 73 1.420 -1.802 -6.877 1.00 0.00 O ATOM 1053 CB LEU A 73 3.161 -0.521 -4.617 1.00 0.00 C ATOM 1054 CG LEU A 73 4.169 -1.533 -4.071 1.00 0.00 C ATOM 1055 CD1 LEU A 73 5.590 -1.102 -4.400 1.00 0.00 C ATOM 1056 CD2 LEU A 73 3.995 -1.700 -2.568 1.00 0.00 C ATOM 0 H LEU A 73 1.366 0.740 -6.323 1.00 0.00 H new ATOM 0 HA LEU A 73 4.184 -0.155 -6.471 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.353 0.443 -4.146 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.162 -0.832 -4.311 1.00 0.00 H new ATOM 0 HG LEU A 73 3.984 -2.495 -4.548 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.293 -1.834 -4.004 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.708 -1.034 -5.481 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.788 -0.129 -3.951 1.00 0.00 H new ATOM 0 HD21 LEU A 73 4.720 -2.424 -2.196 1.00 0.00 H new ATOM 0 HD22 LEU A 73 4.153 -0.741 -2.075 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.987 -2.055 -2.356 1.00 0.00 H new ATOM 1068 N SER A 74 3.541 -2.395 -7.341 1.00 0.00 N ATOM 1069 CA SER A 74 3.163 -3.626 -8.025 1.00 0.00 C ATOM 1070 C SER A 74 4.262 -4.676 -7.902 1.00 0.00 C ATOM 1071 O SER A 74 5.341 -4.404 -7.374 1.00 0.00 O ATOM 1072 CB SER A 74 2.873 -3.346 -9.501 1.00 0.00 C ATOM 1073 OG SER A 74 4.058 -3.004 -10.197 1.00 0.00 O ATOM 0 H SER A 74 4.546 -2.226 -7.302 1.00 0.00 H new ATOM 0 HA SER A 74 2.261 -4.013 -7.551 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.419 -4.225 -9.959 1.00 0.00 H new ATOM 0 HB3 SER A 74 2.151 -2.534 -9.585 1.00 0.00 H new ATOM 0 HG SER A 74 3.846 -2.832 -11.138 1.00 0.00 H new ATOM 1079 N VAL A 75 3.981 -5.879 -8.393 1.00 0.00 N ATOM 1080 CA VAL A 75 4.946 -6.971 -8.339 1.00 0.00 C ATOM 1081 C VAL A 75 5.950 -6.875 -9.482 1.00 0.00 C ATOM 1082 O VAL A 75 5.638 -6.354 -10.554 1.00 0.00 O ATOM 1083 CB VAL A 75 4.246 -8.342 -8.399 1.00 0.00 C ATOM 1084 CG1 VAL A 75 5.261 -9.467 -8.269 1.00 0.00 C ATOM 1085 CG2 VAL A 75 3.182 -8.445 -7.316 1.00 0.00 C ATOM 0 H VAL A 75 3.093 -6.122 -8.833 1.00 0.00 H new ATOM 0 HA VAL A 75 5.472 -6.881 -7.389 1.00 0.00 H new ATOM 0 HB VAL A 75 3.756 -8.438 -9.368 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.747 -10.427 -8.314 1.00 0.00 H new ATOM 0 HG12 VAL A 75 5.982 -9.403 -9.084 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.782 -9.378 -7.316 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.698 -9.420 -7.373 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.647 -8.328 -6.337 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.438 -7.661 -7.461 1.00 0.00 H new ATOM 1095 N LEU A 76 7.155 -7.380 -9.248 1.00 0.00 N ATOM 1096 CA LEU A 76 8.207 -7.352 -10.259 1.00 0.00 C ATOM 1097 C LEU A 76 8.619 -8.766 -10.656 1.00 0.00 C ATOM 1098 O LEU A 76 8.824 -9.056 -11.835 1.00 0.00 O ATOM 1099 CB LEU A 76 9.422 -6.582 -9.738 1.00 0.00 C ATOM 1100 CG LEU A 76 10.501 -6.254 -10.770 1.00 0.00 C ATOM 1101 CD1 LEU A 76 9.914 -5.449 -11.919 1.00 0.00 C ATOM 1102 CD2 LEU A 76 11.649 -5.497 -10.119 1.00 0.00 C ATOM 0 H LEU A 76 7.429 -7.814 -8.367 1.00 0.00 H new ATOM 0 HA LEU A 76 7.815 -6.846 -11.142 1.00 0.00 H new ATOM 0 HB2 LEU A 76 9.073 -5.648 -9.297 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.879 -7.162 -8.936 1.00 0.00 H new ATOM 0 HG LEU A 76 10.890 -7.190 -11.170 1.00 0.00 H new ATOM 0 HD11 LEU A 76 10.697 -5.225 -12.644 1.00 0.00 H new ATOM 0 HD12 LEU A 76 9.126 -6.027 -12.403 1.00 0.00 H new ATOM 0 HD13 LEU A 76 9.497 -4.518 -11.535 1.00 0.00 H new ATOM 0 HD21 LEU A 76 12.408 -5.272 -10.868 1.00 0.00 H new ATOM 0 HD22 LEU A 76 11.275 -4.567 -9.691 1.00 0.00 H new ATOM 0 HD23 LEU A 76 12.088 -6.109 -9.331 1.00 0.00 H new ATOM 1114 N HIS A 77 8.735 -9.643 -9.664 1.00 0.00 N ATOM 1115 CA HIS A 77 9.120 -11.029 -9.910 1.00 0.00 C ATOM 1116 C HIS A 77 8.152 -11.991 -9.228 1.00 0.00 C ATOM 1117 O HIS A 77 7.454 -11.619 -8.284 1.00 0.00 O ATOM 1118 CB HIS A 77 10.543 -11.281 -9.413 1.00 0.00 C ATOM 1119 CG HIS A 77 11.600 -10.916 -10.410 1.00 0.00 C ATOM 1120 ND1 HIS A 77 11.574 -11.338 -11.722 1.00 0.00 N ATOM 1121 CD2 HIS A 77 12.716 -10.161 -10.280 1.00 0.00 C ATOM 1122 CE1 HIS A 77 12.630 -10.860 -12.357 1.00 0.00 C ATOM 1123 NE2 HIS A 77 13.339 -10.143 -11.504 1.00 0.00 N ATOM 0 H HIS A 77 8.568 -9.419 -8.683 1.00 0.00 H new ATOM 0 HA HIS A 77 9.082 -11.205 -10.985 1.00 0.00 H new ATOM 0 HB2 HIS A 77 10.706 -10.711 -8.498 1.00 0.00 H new ATOM 0 HB3 HIS A 77 10.647 -12.335 -9.155 1.00 0.00 H new ATOM 0 HD2 HIS A 77 13.053 -9.665 -9.382 1.00 0.00 H new ATOM 0 HE1 HIS A 77 12.872 -11.027 -13.396 1.00 0.00 H new ATOM 0 HE2 HIS A 77 14.208 -9.655 -11.719 1.00 0.00 H new ATOM 1132 N ARG A 78 8.115 -13.228 -9.712 1.00 0.00 N ATOM 1133 CA ARG A 78 7.231 -14.242 -9.150 1.00 0.00 C ATOM 1134 C ARG A 78 7.286 -14.227 -7.625 1.00 0.00 C ATOM 1135 O ARG A 78 8.343 -14.000 -7.035 1.00 0.00 O ATOM 1136 CB ARG A 78 7.614 -15.628 -9.671 1.00 0.00 C ATOM 1137 CG ARG A 78 7.534 -15.754 -11.183 1.00 0.00 C ATOM 1138 CD ARG A 78 7.530 -17.210 -11.622 1.00 0.00 C ATOM 1139 NE ARG A 78 8.882 -17.746 -11.755 1.00 0.00 N ATOM 1140 CZ ARG A 78 9.636 -17.578 -12.836 1.00 0.00 C ATOM 1141 NH1 ARG A 78 9.172 -16.892 -13.871 1.00 0.00 N ATOM 1142 NH2 ARG A 78 10.856 -18.096 -12.882 1.00 0.00 N ATOM 0 H ARG A 78 8.687 -13.552 -10.492 1.00 0.00 H new ATOM 0 HA ARG A 78 6.212 -14.013 -9.462 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.629 -15.860 -9.349 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.958 -16.371 -9.218 1.00 0.00 H new ATOM 0 HG2 ARG A 78 6.630 -15.262 -11.543 1.00 0.00 H new ATOM 0 HG3 ARG A 78 8.380 -15.238 -11.637 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.974 -17.805 -10.898 1.00 0.00 H new ATOM 0 HD3 ARG A 78 7.009 -17.300 -12.575 1.00 0.00 H new ATOM 0 HE ARG A 78 9.268 -18.278 -10.976 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.234 -16.492 -13.839 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.753 -16.764 -14.700 1.00 0.00 H new ATOM 0 HH21 ARG A 78 11.216 -18.624 -12.087 1.00 0.00 H new ATOM 0 HH22 ARG A 78 11.434 -17.966 -13.712 1.00 0.00 H new ATOM 1156 N ILE A 79 6.142 -14.469 -6.994 1.00 0.00 N ATOM 1157 CA ILE A 79 6.061 -14.483 -5.539 1.00 0.00 C ATOM 1158 C ILE A 79 5.839 -15.898 -5.015 1.00 0.00 C ATOM 1159 O ILE A 79 4.841 -16.541 -5.338 1.00 0.00 O ATOM 1160 CB ILE A 79 4.926 -13.575 -5.029 1.00 0.00 C ATOM 1161 CG1 ILE A 79 5.174 -12.126 -5.453 1.00 0.00 C ATOM 1162 CG2 ILE A 79 4.806 -13.677 -3.516 1.00 0.00 C ATOM 1163 CD1 ILE A 79 3.939 -11.256 -5.382 1.00 0.00 C ATOM 0 H ILE A 79 5.259 -14.658 -7.468 1.00 0.00 H new ATOM 0 HA ILE A 79 7.013 -14.105 -5.166 1.00 0.00 H new ATOM 0 HB ILE A 79 3.987 -13.908 -5.471 1.00 0.00 H new ATOM 0 HG12 ILE A 79 5.948 -11.697 -4.816 1.00 0.00 H new ATOM 0 HG13 ILE A 79 5.558 -12.115 -6.473 1.00 0.00 H new ATOM 0 HG21 ILE A 79 4.000 -13.030 -3.170 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.589 -14.708 -3.237 1.00 0.00 H new ATOM 0 HG23 ILE A 79 5.744 -13.366 -3.055 1.00 0.00 H new ATOM 0 HD11 ILE A 79 4.189 -10.243 -5.697 1.00 0.00 H new ATOM 0 HD12 ILE A 79 3.170 -11.661 -6.040 1.00 0.00 H new ATOM 0 HD13 ILE A 79 3.566 -11.236 -4.358 1.00 0.00 H new ATOM 1175 N ASP A 80 6.776 -16.375 -4.202 1.00 0.00 N ATOM 1176 CA ASP A 80 6.681 -17.713 -3.630 1.00 0.00 C ATOM 1177 C ASP A 80 6.435 -17.645 -2.126 1.00 0.00 C ATOM 1178 O ASP A 80 7.103 -16.898 -1.411 1.00 0.00 O ATOM 1179 CB ASP A 80 7.959 -18.504 -3.915 1.00 0.00 C ATOM 1180 CG ASP A 80 7.879 -19.933 -3.415 1.00 0.00 C ATOM 1181 OD1 ASP A 80 7.073 -20.710 -3.968 1.00 0.00 O ATOM 1182 OD2 ASP A 80 8.622 -20.275 -2.471 1.00 0.00 O ATOM 0 H ASP A 80 7.609 -15.855 -3.925 1.00 0.00 H new ATOM 0 HA ASP A 80 5.837 -18.221 -4.095 1.00 0.00 H new ATOM 0 HB2 ASP A 80 8.149 -18.508 -4.988 1.00 0.00 H new ATOM 0 HB3 ASP A 80 8.805 -18.004 -3.444 1.00 0.00 H new ATOM 1187 N ARG A 81 5.472 -18.429 -1.653 1.00 0.00 N ATOM 1188 CA ARG A 81 5.136 -18.456 -0.235 1.00 0.00 C ATOM 1189 C ARG A 81 6.172 -19.250 0.555 1.00 0.00 C ATOM 1190 O ARG A 81 6.582 -18.844 1.642 1.00 0.00 O ATOM 1191 CB ARG A 81 3.747 -19.063 -0.029 1.00 0.00 C ATOM 1192 CG ARG A 81 3.058 -18.592 1.241 1.00 0.00 C ATOM 1193 CD ARG A 81 3.730 -19.157 2.482 1.00 0.00 C ATOM 1194 NE ARG A 81 2.885 -19.034 3.667 1.00 0.00 N ATOM 1195 CZ ARG A 81 3.205 -19.538 4.854 1.00 0.00 C ATOM 1196 NH1 ARG A 81 4.346 -20.194 5.013 1.00 0.00 N ATOM 1197 NH2 ARG A 81 2.383 -19.385 5.884 1.00 0.00 N ATOM 0 H ARG A 81 4.911 -19.054 -2.231 1.00 0.00 H new ATOM 0 HA ARG A 81 5.134 -17.429 0.131 1.00 0.00 H new ATOM 0 HB2 ARG A 81 3.121 -18.814 -0.886 1.00 0.00 H new ATOM 0 HB3 ARG A 81 3.835 -20.149 -0.003 1.00 0.00 H new ATOM 0 HG2 ARG A 81 3.073 -17.503 1.282 1.00 0.00 H new ATOM 0 HG3 ARG A 81 2.011 -18.896 1.222 1.00 0.00 H new ATOM 0 HD2 ARG A 81 3.972 -20.207 2.317 1.00 0.00 H new ATOM 0 HD3 ARG A 81 4.672 -18.636 2.653 1.00 0.00 H new ATOM 0 HE ARG A 81 2.001 -18.534 3.578 1.00 0.00 H new ATOM 0 HH11 ARG A 81 4.980 -20.313 4.223 1.00 0.00 H new ATOM 0 HH12 ARG A 81 4.590 -20.580 5.925 1.00 0.00 H new ATOM 0 HH21 ARG A 81 1.505 -18.880 5.765 1.00 0.00 H new ATOM 0 HH22 ARG A 81 2.629 -19.772 6.795 1.00 0.00 H new ATOM 1211 N GLU A 82 6.591 -20.383 0.000 1.00 0.00 N ATOM 1212 CA GLU A 82 7.578 -21.234 0.653 1.00 0.00 C ATOM 1213 C GLU A 82 8.795 -20.421 1.087 1.00 0.00 C ATOM 1214 O GLU A 82 9.153 -20.402 2.264 1.00 0.00 O ATOM 1215 CB GLU A 82 8.013 -22.361 -0.285 1.00 0.00 C ATOM 1216 CG GLU A 82 7.173 -23.621 -0.153 1.00 0.00 C ATOM 1217 CD GLU A 82 7.631 -24.728 -1.083 1.00 0.00 C ATOM 1218 OE1 GLU A 82 8.858 -24.894 -1.250 1.00 0.00 O ATOM 1219 OE2 GLU A 82 6.763 -25.428 -1.644 1.00 0.00 O ATOM 0 H GLU A 82 6.262 -20.732 -0.900 1.00 0.00 H new ATOM 0 HA GLU A 82 7.116 -21.667 1.540 1.00 0.00 H new ATOM 0 HB2 GLU A 82 7.961 -22.006 -1.314 1.00 0.00 H new ATOM 0 HB3 GLU A 82 9.056 -22.607 -0.085 1.00 0.00 H new ATOM 0 HG2 GLU A 82 7.216 -23.976 0.877 1.00 0.00 H new ATOM 0 HG3 GLU A 82 6.131 -23.382 -0.364 1.00 0.00 H new ATOM 1226 N GLU A 83 9.425 -19.751 0.127 1.00 0.00 N ATOM 1227 CA GLU A 83 10.602 -18.938 0.410 1.00 0.00 C ATOM 1228 C GLU A 83 10.299 -17.898 1.485 1.00 0.00 C ATOM 1229 O GLU A 83 11.078 -17.708 2.419 1.00 0.00 O ATOM 1230 CB GLU A 83 11.089 -18.245 -0.864 1.00 0.00 C ATOM 1231 CG GLU A 83 10.228 -17.065 -1.282 1.00 0.00 C ATOM 1232 CD GLU A 83 10.767 -16.354 -2.507 1.00 0.00 C ATOM 1233 OE1 GLU A 83 11.221 -17.046 -3.442 1.00 0.00 O ATOM 1234 OE2 GLU A 83 10.737 -15.106 -2.531 1.00 0.00 O ATOM 0 H GLU A 83 9.140 -19.755 -0.852 1.00 0.00 H new ATOM 0 HA GLU A 83 11.388 -19.597 0.779 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.112 -17.902 -0.712 1.00 0.00 H new ATOM 0 HB3 GLU A 83 11.114 -18.972 -1.676 1.00 0.00 H new ATOM 0 HG2 GLU A 83 9.215 -17.413 -1.485 1.00 0.00 H new ATOM 0 HG3 GLU A 83 10.162 -16.357 -0.456 1.00 0.00 H new ATOM 1241 N VAL A 84 9.160 -17.226 1.345 1.00 0.00 N ATOM 1242 CA VAL A 84 8.753 -16.205 2.302 1.00 0.00 C ATOM 1243 C VAL A 84 7.271 -16.328 2.640 1.00 0.00 C ATOM 1244 O VAL A 84 6.431 -16.462 1.751 1.00 0.00 O ATOM 1245 CB VAL A 84 9.029 -14.788 1.764 1.00 0.00 C ATOM 1246 CG1 VAL A 84 10.526 -14.546 1.642 1.00 0.00 C ATOM 1247 CG2 VAL A 84 8.337 -14.582 0.426 1.00 0.00 C ATOM 0 H VAL A 84 8.503 -17.371 0.578 1.00 0.00 H new ATOM 0 HA VAL A 84 9.344 -16.364 3.204 1.00 0.00 H new ATOM 0 HB VAL A 84 8.624 -14.064 2.471 1.00 0.00 H new ATOM 0 HG11 VAL A 84 10.702 -13.540 1.261 1.00 0.00 H new ATOM 0 HG12 VAL A 84 10.992 -14.649 2.622 1.00 0.00 H new ATOM 0 HG13 VAL A 84 10.958 -15.275 0.956 1.00 0.00 H new ATOM 0 HG21 VAL A 84 8.543 -13.576 0.061 1.00 0.00 H new ATOM 0 HG22 VAL A 84 8.710 -15.312 -0.293 1.00 0.00 H new ATOM 0 HG23 VAL A 84 7.262 -14.710 0.549 1.00 0.00 H new ATOM 1257 N ASN A 85 6.958 -16.281 3.930 1.00 0.00 N ATOM 1258 CA ASN A 85 5.576 -16.387 4.386 1.00 0.00 C ATOM 1259 C ASN A 85 4.960 -15.006 4.580 1.00 0.00 C ATOM 1260 O ASN A 85 3.760 -14.817 4.379 1.00 0.00 O ATOM 1261 CB ASN A 85 5.509 -17.177 5.695 1.00 0.00 C ATOM 1262 CG ASN A 85 6.479 -16.655 6.736 1.00 0.00 C ATOM 1263 OD1 ASN A 85 7.682 -16.908 6.662 1.00 0.00 O ATOM 1264 ND2 ASN A 85 5.960 -15.922 7.714 1.00 0.00 N ATOM 0 H ASN A 85 7.642 -16.170 4.679 1.00 0.00 H new ATOM 0 HA ASN A 85 5.006 -16.915 3.621 1.00 0.00 H new ATOM 0 HB2 ASN A 85 4.495 -17.131 6.092 1.00 0.00 H new ATOM 0 HB3 ASN A 85 5.726 -18.226 5.494 1.00 0.00 H new ATOM 0 HD21 ASN A 85 6.564 -15.544 8.443 1.00 0.00 H new ATOM 0 HD22 ASN A 85 4.957 -15.737 7.736 1.00 0.00 H new ATOM 1271 N GLN A 86 5.789 -14.043 4.972 1.00 0.00 N ATOM 1272 CA GLN A 86 5.325 -12.679 5.194 1.00 0.00 C ATOM 1273 C GLN A 86 6.449 -11.676 4.957 1.00 0.00 C ATOM 1274 O GLN A 86 7.421 -11.628 5.712 1.00 0.00 O ATOM 1275 CB GLN A 86 4.781 -12.527 6.615 1.00 0.00 C ATOM 1276 CG GLN A 86 4.116 -11.185 6.872 1.00 0.00 C ATOM 1277 CD GLN A 86 3.309 -11.169 8.156 1.00 0.00 C ATOM 1278 OE1 GLN A 86 2.387 -11.966 8.333 1.00 0.00 O ATOM 1279 NE2 GLN A 86 3.652 -10.259 9.060 1.00 0.00 N ATOM 0 H GLN A 86 6.785 -14.183 5.142 1.00 0.00 H new ATOM 0 HA GLN A 86 4.525 -12.475 4.483 1.00 0.00 H new ATOM 0 HB2 GLN A 86 4.061 -13.322 6.806 1.00 0.00 H new ATOM 0 HB3 GLN A 86 5.598 -12.660 7.324 1.00 0.00 H new ATOM 0 HG2 GLN A 86 4.880 -10.408 6.918 1.00 0.00 H new ATOM 0 HG3 GLN A 86 3.463 -10.941 6.034 1.00 0.00 H new ATOM 0 HE21 GLN A 86 4.423 -9.618 8.872 1.00 0.00 H new ATOM 0 HE22 GLN A 86 3.145 -10.201 9.943 1.00 0.00 H new ATOM 1288 N LEU A 87 6.311 -10.877 3.905 1.00 0.00 N ATOM 1289 CA LEU A 87 7.316 -9.875 3.568 1.00 0.00 C ATOM 1290 C LEU A 87 7.143 -8.623 4.422 1.00 0.00 C ATOM 1291 O LEU A 87 6.117 -8.444 5.078 1.00 0.00 O ATOM 1292 CB LEU A 87 7.225 -9.511 2.085 1.00 0.00 C ATOM 1293 CG LEU A 87 7.286 -10.681 1.102 1.00 0.00 C ATOM 1294 CD1 LEU A 87 6.578 -10.325 -0.196 1.00 0.00 C ATOM 1295 CD2 LEU A 87 8.730 -11.077 0.833 1.00 0.00 C ATOM 0 H LEU A 87 5.513 -10.903 3.270 1.00 0.00 H new ATOM 0 HA LEU A 87 8.299 -10.299 3.772 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.292 -8.972 1.920 1.00 0.00 H new ATOM 0 HB3 LEU A 87 8.036 -8.822 1.850 1.00 0.00 H new ATOM 0 HG LEU A 87 6.774 -11.533 1.549 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.632 -11.169 -0.883 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.534 -10.092 0.011 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.061 -9.458 -0.648 1.00 0.00 H new ATOM 0 HD21 LEU A 87 8.754 -11.911 0.132 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.267 -10.229 0.407 1.00 0.00 H new ATOM 0 HD23 LEU A 87 9.206 -11.375 1.767 1.00 0.00 H new ATOM 1307 N ARG A 88 8.152 -7.758 4.406 1.00 0.00 N ATOM 1308 CA ARG A 88 8.112 -6.522 5.178 1.00 0.00 C ATOM 1309 C ARG A 88 9.223 -5.572 4.741 1.00 0.00 C ATOM 1310 O ARG A 88 10.404 -5.917 4.790 1.00 0.00 O ATOM 1311 CB ARG A 88 8.243 -6.825 6.672 1.00 0.00 C ATOM 1312 CG ARG A 88 7.498 -5.841 7.560 1.00 0.00 C ATOM 1313 CD ARG A 88 8.156 -4.470 7.546 1.00 0.00 C ATOM 1314 NE ARG A 88 9.516 -4.510 8.079 1.00 0.00 N ATOM 1315 CZ ARG A 88 9.794 -4.608 9.374 1.00 0.00 C ATOM 1316 NH1 ARG A 88 8.814 -4.676 10.264 1.00 0.00 N ATOM 1317 NH2 ARG A 88 11.057 -4.638 9.782 1.00 0.00 N ATOM 0 H ARG A 88 9.007 -7.891 3.867 1.00 0.00 H new ATOM 0 HA ARG A 88 7.152 -6.039 4.995 1.00 0.00 H new ATOM 0 HB2 ARG A 88 7.869 -7.831 6.864 1.00 0.00 H new ATOM 0 HB3 ARG A 88 9.298 -6.820 6.944 1.00 0.00 H new ATOM 0 HG2 ARG A 88 6.465 -5.754 7.222 1.00 0.00 H new ATOM 0 HG3 ARG A 88 7.468 -6.221 8.581 1.00 0.00 H new ATOM 0 HD2 ARG A 88 8.178 -4.089 6.525 1.00 0.00 H new ATOM 0 HD3 ARG A 88 7.557 -3.774 8.133 1.00 0.00 H new ATOM 0 HE ARG A 88 10.294 -4.460 7.421 1.00 0.00 H new ATOM 0 HH11 ARG A 88 7.842 -4.653 9.955 1.00 0.00 H new ATOM 0 HH12 ARG A 88 9.032 -4.751 11.258 1.00 0.00 H new ATOM 0 HH21 ARG A 88 11.814 -4.586 9.101 1.00 0.00 H new ATOM 0 HH22 ARG A 88 11.270 -4.713 10.777 1.00 0.00 H new ATOM 1331 N PHE A 89 8.836 -4.374 4.315 1.00 0.00 N ATOM 1332 CA PHE A 89 9.799 -3.374 3.868 1.00 0.00 C ATOM 1333 C PHE A 89 9.319 -1.967 4.210 1.00 0.00 C ATOM 1334 O PHE A 89 8.278 -1.789 4.843 1.00 0.00 O ATOM 1335 CB PHE A 89 10.028 -3.495 2.360 1.00 0.00 C ATOM 1336 CG PHE A 89 8.761 -3.445 1.555 1.00 0.00 C ATOM 1337 CD1 PHE A 89 8.032 -4.599 1.314 1.00 0.00 C ATOM 1338 CD2 PHE A 89 8.299 -2.245 1.039 1.00 0.00 C ATOM 1339 CE1 PHE A 89 6.866 -4.556 0.573 1.00 0.00 C ATOM 1340 CE2 PHE A 89 7.133 -2.196 0.298 1.00 0.00 C ATOM 1341 CZ PHE A 89 6.416 -3.353 0.065 1.00 0.00 C ATOM 0 H PHE A 89 7.863 -4.072 4.270 1.00 0.00 H new ATOM 0 HA PHE A 89 10.741 -3.554 4.387 1.00 0.00 H new ATOM 0 HB2 PHE A 89 10.687 -2.690 2.035 1.00 0.00 H new ATOM 0 HB3 PHE A 89 10.544 -4.433 2.153 1.00 0.00 H new ATOM 0 HD1 PHE A 89 8.379 -5.542 1.710 1.00 0.00 H new ATOM 0 HD2 PHE A 89 8.856 -1.337 1.218 1.00 0.00 H new ATOM 0 HE1 PHE A 89 6.307 -5.462 0.391 1.00 0.00 H new ATOM 0 HE2 PHE A 89 6.783 -1.254 -0.098 1.00 0.00 H new ATOM 0 HZ PHE A 89 5.505 -3.317 -0.514 1.00 0.00 H new ATOM 1351 N THR A 90 10.087 -0.967 3.787 1.00 0.00 N ATOM 1352 CA THR A 90 9.743 0.425 4.049 1.00 0.00 C ATOM 1353 C THR A 90 9.933 1.282 2.803 1.00 0.00 C ATOM 1354 O THR A 90 10.717 0.942 1.916 1.00 0.00 O ATOM 1355 CB THR A 90 10.593 1.007 5.193 1.00 0.00 C ATOM 1356 OG1 THR A 90 10.608 0.102 6.303 1.00 0.00 O ATOM 1357 CG2 THR A 90 10.048 2.355 5.640 1.00 0.00 C ATOM 0 H THR A 90 10.952 -1.096 3.261 1.00 0.00 H new ATOM 0 HA THR A 90 8.693 0.442 4.341 1.00 0.00 H new ATOM 0 HB THR A 90 11.609 1.147 4.825 1.00 0.00 H new ATOM 0 HG1 THR A 90 11.309 -0.569 6.168 1.00 0.00 H new ATOM 0 HG21 THR A 90 10.665 2.747 6.449 1.00 0.00 H new ATOM 0 HG22 THR A 90 10.065 3.051 4.801 1.00 0.00 H new ATOM 0 HG23 THR A 90 9.023 2.235 5.991 1.00 0.00 H new ATOM 1365 N VAL A 91 9.212 2.397 2.741 1.00 0.00 N ATOM 1366 CA VAL A 91 9.302 3.304 1.604 1.00 0.00 C ATOM 1367 C VAL A 91 9.548 4.737 2.063 1.00 0.00 C ATOM 1368 O VAL A 91 8.928 5.210 3.015 1.00 0.00 O ATOM 1369 CB VAL A 91 8.022 3.263 0.749 1.00 0.00 C ATOM 1370 CG1 VAL A 91 7.841 1.889 0.124 1.00 0.00 C ATOM 1371 CG2 VAL A 91 6.810 3.640 1.588 1.00 0.00 C ATOM 0 H VAL A 91 8.559 2.694 3.466 1.00 0.00 H new ATOM 0 HA VAL A 91 10.144 2.969 0.998 1.00 0.00 H new ATOM 0 HB VAL A 91 8.120 3.991 -0.056 1.00 0.00 H new ATOM 0 HG11 VAL A 91 6.931 1.879 -0.476 1.00 0.00 H new ATOM 0 HG12 VAL A 91 8.697 1.663 -0.511 1.00 0.00 H new ATOM 0 HG13 VAL A 91 7.764 1.139 0.911 1.00 0.00 H new ATOM 0 HG21 VAL A 91 5.914 3.606 0.968 1.00 0.00 H new ATOM 0 HG22 VAL A 91 6.707 2.937 2.414 1.00 0.00 H new ATOM 0 HG23 VAL A 91 6.940 4.648 1.983 1.00 0.00 H new ATOM 1381 N MET A 92 10.457 5.424 1.379 1.00 0.00 N ATOM 1382 CA MET A 92 10.784 6.805 1.715 1.00 0.00 C ATOM 1383 C MET A 92 10.038 7.777 0.807 1.00 0.00 C ATOM 1384 O MET A 92 9.722 7.453 -0.337 1.00 0.00 O ATOM 1385 CB MET A 92 12.292 7.037 1.601 1.00 0.00 C ATOM 1386 CG MET A 92 13.052 6.739 2.884 1.00 0.00 C ATOM 1387 SD MET A 92 14.614 7.633 2.989 1.00 0.00 S ATOM 1388 CE MET A 92 15.341 7.232 1.402 1.00 0.00 C ATOM 0 H MET A 92 10.980 5.047 0.589 1.00 0.00 H new ATOM 0 HA MET A 92 10.473 6.985 2.744 1.00 0.00 H new ATOM 0 HB2 MET A 92 12.688 6.412 0.800 1.00 0.00 H new ATOM 0 HB3 MET A 92 12.471 8.073 1.315 1.00 0.00 H new ATOM 0 HG2 MET A 92 12.430 7.001 3.740 1.00 0.00 H new ATOM 0 HG3 MET A 92 13.246 5.668 2.947 1.00 0.00 H new ATOM 0 HE1 MET A 92 16.406 7.464 1.421 1.00 0.00 H new ATOM 0 HE2 MET A 92 15.204 6.170 1.197 1.00 0.00 H new ATOM 0 HE3 MET A 92 14.856 7.818 0.621 1.00 0.00 H new ATOM 1398 N ALA A 93 9.760 8.969 1.325 1.00 0.00 N ATOM 1399 CA ALA A 93 9.052 9.988 0.560 1.00 0.00 C ATOM 1400 C ALA A 93 9.729 11.347 0.699 1.00 0.00 C ATOM 1401 O ALA A 93 9.465 12.089 1.646 1.00 0.00 O ATOM 1402 CB ALA A 93 7.600 10.071 1.007 1.00 0.00 C ATOM 0 H ALA A 93 10.014 9.253 2.271 1.00 0.00 H new ATOM 0 HA ALA A 93 9.080 9.703 -0.492 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.084 10.836 0.427 1.00 0.00 H new ATOM 0 HB2 ALA A 93 7.115 9.108 0.849 1.00 0.00 H new ATOM 0 HB3 ALA A 93 7.559 10.329 2.065 1.00 0.00 H new ATOM 1408 N ARG A 94 10.603 11.668 -0.250 1.00 0.00 N ATOM 1409 CA ARG A 94 11.319 12.938 -0.231 1.00 0.00 C ATOM 1410 C ARG A 94 10.922 13.803 -1.424 1.00 0.00 C ATOM 1411 O ARG A 94 10.284 13.328 -2.363 1.00 0.00 O ATOM 1412 CB ARG A 94 12.829 12.697 -0.243 1.00 0.00 C ATOM 1413 CG ARG A 94 13.273 11.664 -1.266 1.00 0.00 C ATOM 1414 CD ARG A 94 14.778 11.450 -1.225 1.00 0.00 C ATOM 1415 NE ARG A 94 15.315 11.084 -2.532 1.00 0.00 N ATOM 1416 CZ ARG A 94 16.563 10.672 -2.725 1.00 0.00 C ATOM 1417 NH1 ARG A 94 17.399 10.575 -1.700 1.00 0.00 N ATOM 1418 NH2 ARG A 94 16.978 10.357 -3.946 1.00 0.00 N ATOM 0 H ARG A 94 10.832 11.066 -1.041 1.00 0.00 H new ATOM 0 HA ARG A 94 11.050 13.465 0.684 1.00 0.00 H new ATOM 0 HB2 ARG A 94 13.337 13.640 -0.447 1.00 0.00 H new ATOM 0 HB3 ARG A 94 13.145 12.373 0.749 1.00 0.00 H new ATOM 0 HG2 ARG A 94 12.765 10.719 -1.074 1.00 0.00 H new ATOM 0 HG3 ARG A 94 12.978 11.988 -2.264 1.00 0.00 H new ATOM 0 HD2 ARG A 94 15.264 12.361 -0.876 1.00 0.00 H new ATOM 0 HD3 ARG A 94 15.013 10.667 -0.504 1.00 0.00 H new ATOM 0 HE ARG A 94 14.698 11.148 -3.342 1.00 0.00 H new ATOM 0 HH11 ARG A 94 17.084 10.817 -0.760 1.00 0.00 H new ATOM 0 HH12 ARG A 94 18.357 10.258 -1.851 1.00 0.00 H new ATOM 0 HH21 ARG A 94 16.338 10.431 -4.737 1.00 0.00 H new ATOM 0 HH22 ARG A 94 17.937 10.041 -4.093 1.00 0.00 H new ATOM 1432 N ASP A 95 11.304 15.075 -1.379 1.00 0.00 N ATOM 1433 CA ASP A 95 10.989 16.007 -2.455 1.00 0.00 C ATOM 1434 C ASP A 95 12.255 16.671 -2.986 1.00 0.00 C ATOM 1435 O ASP A 95 13.359 16.386 -2.523 1.00 0.00 O ATOM 1436 CB ASP A 95 10.006 17.071 -1.966 1.00 0.00 C ATOM 1437 CG ASP A 95 10.707 18.290 -1.400 1.00 0.00 C ATOM 1438 OD1 ASP A 95 11.246 18.196 -0.277 1.00 0.00 O ATOM 1439 OD2 ASP A 95 10.716 19.339 -2.078 1.00 0.00 O ATOM 0 H ASP A 95 11.832 15.484 -0.608 1.00 0.00 H new ATOM 0 HA ASP A 95 10.528 15.444 -3.267 1.00 0.00 H new ATOM 0 HB2 ASP A 95 9.364 17.376 -2.793 1.00 0.00 H new ATOM 0 HB3 ASP A 95 9.359 16.640 -1.202 1.00 0.00 H new ATOM 1444 N ARG A 96 12.087 17.558 -3.962 1.00 0.00 N ATOM 1445 CA ARG A 96 13.217 18.262 -4.558 1.00 0.00 C ATOM 1446 C ARG A 96 13.640 19.444 -3.690 1.00 0.00 C ATOM 1447 O ARG A 96 13.946 20.521 -4.198 1.00 0.00 O ATOM 1448 CB ARG A 96 12.858 18.749 -5.963 1.00 0.00 C ATOM 1449 CG ARG A 96 12.652 17.624 -6.964 1.00 0.00 C ATOM 1450 CD ARG A 96 12.581 18.152 -8.388 1.00 0.00 C ATOM 1451 NE ARG A 96 13.867 18.672 -8.844 1.00 0.00 N ATOM 1452 CZ ARG A 96 13.992 19.620 -9.766 1.00 0.00 C ATOM 1453 NH1 ARG A 96 12.914 20.149 -10.327 1.00 0.00 N ATOM 1454 NH2 ARG A 96 15.197 20.041 -10.128 1.00 0.00 N ATOM 0 H ARG A 96 11.180 17.806 -4.357 1.00 0.00 H new ATOM 0 HA ARG A 96 14.053 17.566 -4.625 1.00 0.00 H new ATOM 0 HB2 ARG A 96 11.948 19.347 -5.909 1.00 0.00 H new ATOM 0 HB3 ARG A 96 13.650 19.405 -6.324 1.00 0.00 H new ATOM 0 HG2 ARG A 96 13.469 16.907 -6.881 1.00 0.00 H new ATOM 0 HG3 ARG A 96 11.733 17.088 -6.727 1.00 0.00 H new ATOM 0 HD2 ARG A 96 12.256 17.353 -9.055 1.00 0.00 H new ATOM 0 HD3 ARG A 96 11.830 18.940 -8.445 1.00 0.00 H new ATOM 0 HE ARG A 96 14.716 18.286 -8.432 1.00 0.00 H new ATOM 0 HH11 ARG A 96 11.986 19.828 -10.051 1.00 0.00 H new ATOM 0 HH12 ARG A 96 13.012 20.877 -11.035 1.00 0.00 H new ATOM 0 HH21 ARG A 96 16.029 19.637 -9.698 1.00 0.00 H new ATOM 0 HH22 ARG A 96 15.291 20.769 -10.836 1.00 0.00 H new ATOM 1468 N GLY A 97 13.653 19.233 -2.377 1.00 0.00 N ATOM 1469 CA GLY A 97 14.040 20.290 -1.461 1.00 0.00 C ATOM 1470 C GLY A 97 15.306 19.959 -0.696 1.00 0.00 C ATOM 1471 O GLY A 97 15.816 18.842 -0.780 1.00 0.00 O ATOM 0 H GLY A 97 13.403 18.350 -1.932 1.00 0.00 H new ATOM 0 HA2 GLY A 97 14.188 21.214 -2.019 1.00 0.00 H new ATOM 0 HA3 GLY A 97 13.229 20.470 -0.755 1.00 0.00 H new ATOM 1475 N GLN A 98 15.815 20.933 0.052 1.00 0.00 N ATOM 1476 CA GLN A 98 17.031 20.740 0.833 1.00 0.00 C ATOM 1477 C GLN A 98 17.018 21.611 2.085 1.00 0.00 C ATOM 1478 O GLN A 98 16.887 22.833 2.019 1.00 0.00 O ATOM 1479 CB GLN A 98 18.263 21.063 -0.015 1.00 0.00 C ATOM 1480 CG GLN A 98 18.855 19.850 -0.715 1.00 0.00 C ATOM 1481 CD GLN A 98 19.610 20.215 -1.977 1.00 0.00 C ATOM 1482 OE1 GLN A 98 20.762 20.646 -1.922 1.00 0.00 O ATOM 1483 NE2 GLN A 98 18.963 20.045 -3.125 1.00 0.00 N ATOM 0 H GLN A 98 15.404 21.863 0.134 1.00 0.00 H new ATOM 0 HA GLN A 98 17.074 19.695 1.140 1.00 0.00 H new ATOM 0 HB2 GLN A 98 17.993 21.808 -0.763 1.00 0.00 H new ATOM 0 HB3 GLN A 98 19.025 21.512 0.622 1.00 0.00 H new ATOM 0 HG2 GLN A 98 19.528 19.333 -0.031 1.00 0.00 H new ATOM 0 HG3 GLN A 98 18.055 19.153 -0.964 1.00 0.00 H new ATOM 0 HE21 GLN A 98 18.009 19.685 -3.124 1.00 0.00 H new ATOM 0 HE22 GLN A 98 19.421 20.275 -4.007 1.00 0.00 H new ATOM 1492 N PRO A 99 17.157 20.969 3.254 1.00 0.00 N ATOM 1493 CA PRO A 99 17.314 19.514 3.345 1.00 0.00 C ATOM 1494 C PRO A 99 16.035 18.770 2.976 1.00 0.00 C ATOM 1495 O PRO A 99 14.932 19.149 3.369 1.00 0.00 O ATOM 1496 CB PRO A 99 17.659 19.286 4.818 1.00 0.00 C ATOM 1497 CG PRO A 99 17.072 20.455 5.531 1.00 0.00 C ATOM 1498 CD PRO A 99 17.172 21.614 4.578 1.00 0.00 C ATOM 0 HA PRO A 99 18.070 19.141 2.654 1.00 0.00 H new ATOM 0 HB2 PRO A 99 17.239 18.349 5.182 1.00 0.00 H new ATOM 0 HB3 PRO A 99 18.737 19.232 4.968 1.00 0.00 H new ATOM 0 HG2 PRO A 99 16.035 20.264 5.806 1.00 0.00 H new ATOM 0 HG3 PRO A 99 17.613 20.661 6.454 1.00 0.00 H new ATOM 0 HD2 PRO A 99 16.338 22.306 4.698 1.00 0.00 H new ATOM 0 HD3 PRO A 99 18.086 22.186 4.736 1.00 0.00 H new ATOM 1506 N PRO A 100 16.184 17.683 2.203 1.00 0.00 N ATOM 1507 CA PRO A 100 15.051 16.862 1.766 1.00 0.00 C ATOM 1508 C PRO A 100 14.424 16.080 2.915 1.00 0.00 C ATOM 1509 O PRO A 100 15.114 15.368 3.644 1.00 0.00 O ATOM 1510 CB PRO A 100 15.678 15.907 0.747 1.00 0.00 C ATOM 1511 CG PRO A 100 17.113 15.822 1.141 1.00 0.00 C ATOM 1512 CD PRO A 100 17.469 17.173 1.698 1.00 0.00 C ATOM 0 HA PRO A 100 14.241 17.468 1.360 1.00 0.00 H new ATOM 0 HB2 PRO A 100 15.201 14.928 0.776 1.00 0.00 H new ATOM 0 HB3 PRO A 100 15.568 16.285 -0.270 1.00 0.00 H new ATOM 0 HG2 PRO A 100 17.268 15.040 1.884 1.00 0.00 H new ATOM 0 HG3 PRO A 100 17.739 15.576 0.284 1.00 0.00 H new ATOM 0 HD2 PRO A 100 18.211 17.097 2.492 1.00 0.00 H new ATOM 0 HD3 PRO A 100 17.887 17.826 0.932 1.00 0.00 H new ATOM 1520 N LYS A 101 13.112 16.216 3.070 1.00 0.00 N ATOM 1521 CA LYS A 101 12.390 15.520 4.129 1.00 0.00 C ATOM 1522 C LYS A 101 11.952 14.133 3.669 1.00 0.00 C ATOM 1523 O LYS A 101 11.071 13.998 2.819 1.00 0.00 O ATOM 1524 CB LYS A 101 11.169 16.335 4.562 1.00 0.00 C ATOM 1525 CG LYS A 101 11.510 17.516 5.453 1.00 0.00 C ATOM 1526 CD LYS A 101 12.048 17.061 6.800 1.00 0.00 C ATOM 1527 CE LYS A 101 12.312 18.242 7.722 1.00 0.00 C ATOM 1528 NZ LYS A 101 12.777 17.802 9.066 1.00 0.00 N ATOM 0 H LYS A 101 12.526 16.802 2.475 1.00 0.00 H new ATOM 0 HA LYS A 101 13.063 15.405 4.979 1.00 0.00 H new ATOM 0 HB2 LYS A 101 10.652 16.698 3.674 1.00 0.00 H new ATOM 0 HB3 LYS A 101 10.475 15.681 5.090 1.00 0.00 H new ATOM 0 HG2 LYS A 101 12.250 18.145 4.958 1.00 0.00 H new ATOM 0 HG3 LYS A 101 10.621 18.128 5.603 1.00 0.00 H new ATOM 0 HD2 LYS A 101 11.333 16.385 7.269 1.00 0.00 H new ATOM 0 HD3 LYS A 101 12.970 16.499 6.654 1.00 0.00 H new ATOM 0 HE2 LYS A 101 13.062 18.893 7.273 1.00 0.00 H new ATOM 0 HE3 LYS A 101 11.401 18.831 7.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 12.946 18.635 9.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 12.050 17.202 9.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 13.660 17.261 8.968 1.00 0.00 H new ATOM 1542 N THR A 102 12.572 13.103 4.237 1.00 0.00 N ATOM 1543 CA THR A 102 12.246 11.727 3.886 1.00 0.00 C ATOM 1544 C THR A 102 11.361 11.083 4.947 1.00 0.00 C ATOM 1545 O THR A 102 11.668 11.132 6.138 1.00 0.00 O ATOM 1546 CB THR A 102 13.518 10.876 3.709 1.00 0.00 C ATOM 1547 OG1 THR A 102 14.267 10.856 4.929 1.00 0.00 O ATOM 1548 CG2 THR A 102 14.384 11.424 2.585 1.00 0.00 C ATOM 0 H THR A 102 13.303 13.196 4.942 1.00 0.00 H new ATOM 0 HA THR A 102 11.706 11.762 2.940 1.00 0.00 H new ATOM 0 HB THR A 102 13.217 9.861 3.451 1.00 0.00 H new ATOM 0 HG1 THR A 102 13.661 10.989 5.687 1.00 0.00 H new ATOM 0 HG21 THR A 102 15.276 10.807 2.479 1.00 0.00 H new ATOM 0 HG22 THR A 102 13.821 11.411 1.652 1.00 0.00 H new ATOM 0 HG23 THR A 102 14.677 12.448 2.817 1.00 0.00 H new ATOM 1556 N ASP A 103 10.262 10.481 4.508 1.00 0.00 N ATOM 1557 CA ASP A 103 9.332 9.825 5.421 1.00 0.00 C ATOM 1558 C ASP A 103 9.262 8.327 5.142 1.00 0.00 C ATOM 1559 O ASP A 103 8.859 7.904 4.058 1.00 0.00 O ATOM 1560 CB ASP A 103 7.939 10.445 5.296 1.00 0.00 C ATOM 1561 CG ASP A 103 7.732 11.601 6.256 1.00 0.00 C ATOM 1562 OD1 ASP A 103 8.680 12.392 6.444 1.00 0.00 O ATOM 1563 OD2 ASP A 103 6.623 11.713 6.820 1.00 0.00 O ATOM 0 H ASP A 103 9.992 10.433 3.525 1.00 0.00 H new ATOM 0 HA ASP A 103 9.696 9.970 6.438 1.00 0.00 H new ATOM 0 HB2 ASP A 103 7.790 10.794 4.274 1.00 0.00 H new ATOM 0 HB3 ASP A 103 7.186 9.680 5.485 1.00 0.00 H new ATOM 1568 N LYS A 104 9.658 7.528 6.127 1.00 0.00 N ATOM 1569 CA LYS A 104 9.641 6.077 5.989 1.00 0.00 C ATOM 1570 C LYS A 104 8.274 5.511 6.362 1.00 0.00 C ATOM 1571 O LYS A 104 7.727 5.830 7.417 1.00 0.00 O ATOM 1572 CB LYS A 104 10.722 5.447 6.870 1.00 0.00 C ATOM 1573 CG LYS A 104 12.090 5.395 6.210 1.00 0.00 C ATOM 1574 CD LYS A 104 13.077 4.589 7.038 1.00 0.00 C ATOM 1575 CE LYS A 104 14.503 4.774 6.540 1.00 0.00 C ATOM 1576 NZ LYS A 104 15.432 3.775 7.135 1.00 0.00 N ATOM 0 H LYS A 104 9.995 7.861 7.030 1.00 0.00 H new ATOM 0 HA LYS A 104 9.844 5.834 4.946 1.00 0.00 H new ATOM 0 HB2 LYS A 104 10.797 6.012 7.799 1.00 0.00 H new ATOM 0 HB3 LYS A 104 10.418 4.435 7.137 1.00 0.00 H new ATOM 0 HG2 LYS A 104 12.000 4.953 5.218 1.00 0.00 H new ATOM 0 HG3 LYS A 104 12.469 6.408 6.075 1.00 0.00 H new ATOM 0 HD2 LYS A 104 13.012 4.895 8.082 1.00 0.00 H new ATOM 0 HD3 LYS A 104 12.810 3.533 6.998 1.00 0.00 H new ATOM 0 HE2 LYS A 104 14.523 4.686 5.454 1.00 0.00 H new ATOM 0 HE3 LYS A 104 14.846 5.779 6.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 16.187 4.268 7.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 14.908 3.160 7.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 15.852 3.198 6.379 1.00 0.00 H new ATOM 1590 N ALA A 105 7.729 4.670 5.490 1.00 0.00 N ATOM 1591 CA ALA A 105 6.428 4.058 5.729 1.00 0.00 C ATOM 1592 C ALA A 105 6.515 2.537 5.654 1.00 0.00 C ATOM 1593 O ALA A 105 6.977 1.979 4.658 1.00 0.00 O ATOM 1594 CB ALA A 105 5.407 4.580 4.730 1.00 0.00 C ATOM 0 H ALA A 105 8.168 4.397 4.611 1.00 0.00 H new ATOM 0 HA ALA A 105 6.106 4.329 6.735 1.00 0.00 H new ATOM 0 HB1 ALA A 105 4.440 4.114 4.921 1.00 0.00 H new ATOM 0 HB2 ALA A 105 5.316 5.661 4.834 1.00 0.00 H new ATOM 0 HB3 ALA A 105 5.732 4.339 3.718 1.00 0.00 H new ATOM 1600 N THR A 106 6.069 1.870 6.714 1.00 0.00 N ATOM 1601 CA THR A 106 6.098 0.414 6.769 1.00 0.00 C ATOM 1602 C THR A 106 5.052 -0.192 5.840 1.00 0.00 C ATOM 1603 O THR A 106 3.909 0.262 5.794 1.00 0.00 O ATOM 1604 CB THR A 106 5.854 -0.099 8.201 1.00 0.00 C ATOM 1605 OG1 THR A 106 6.786 0.507 9.104 1.00 0.00 O ATOM 1606 CG2 THR A 106 5.991 -1.613 8.264 1.00 0.00 C ATOM 0 H THR A 106 5.683 2.316 7.546 1.00 0.00 H new ATOM 0 HA THR A 106 7.092 0.105 6.444 1.00 0.00 H new ATOM 0 HB THR A 106 4.839 0.171 8.492 1.00 0.00 H new ATOM 0 HG1 THR A 106 6.623 0.177 10.012 1.00 0.00 H new ATOM 0 HG21 THR A 106 5.814 -1.952 9.285 1.00 0.00 H new ATOM 0 HG22 THR A 106 5.261 -2.072 7.598 1.00 0.00 H new ATOM 0 HG23 THR A 106 6.996 -1.901 7.955 1.00 0.00 H new ATOM 1614 N VAL A 107 5.451 -1.222 5.100 1.00 0.00 N ATOM 1615 CA VAL A 107 4.548 -1.892 4.173 1.00 0.00 C ATOM 1616 C VAL A 107 4.480 -3.389 4.456 1.00 0.00 C ATOM 1617 O VAL A 107 5.346 -4.152 4.028 1.00 0.00 O ATOM 1618 CB VAL A 107 4.983 -1.677 2.711 1.00 0.00 C ATOM 1619 CG1 VAL A 107 4.107 -2.488 1.768 1.00 0.00 C ATOM 1620 CG2 VAL A 107 4.938 -0.198 2.355 1.00 0.00 C ATOM 0 H VAL A 107 6.394 -1.610 5.125 1.00 0.00 H new ATOM 0 HA VAL A 107 3.562 -1.452 4.320 1.00 0.00 H new ATOM 0 HB VAL A 107 6.011 -2.023 2.601 1.00 0.00 H new ATOM 0 HG11 VAL A 107 4.429 -2.323 0.740 1.00 0.00 H new ATOM 0 HG12 VAL A 107 4.195 -3.547 2.010 1.00 0.00 H new ATOM 0 HG13 VAL A 107 3.068 -2.176 1.877 1.00 0.00 H new ATOM 0 HG21 VAL A 107 5.248 -0.064 1.319 1.00 0.00 H new ATOM 0 HG22 VAL A 107 3.922 0.176 2.481 1.00 0.00 H new ATOM 0 HG23 VAL A 107 5.612 0.355 3.010 1.00 0.00 H new ATOM 1630 N VAL A 108 3.445 -3.803 5.180 1.00 0.00 N ATOM 1631 CA VAL A 108 3.263 -5.209 5.520 1.00 0.00 C ATOM 1632 C VAL A 108 2.390 -5.914 4.489 1.00 0.00 C ATOM 1633 O VAL A 108 1.179 -5.699 4.433 1.00 0.00 O ATOM 1634 CB VAL A 108 2.627 -5.372 6.913 1.00 0.00 C ATOM 1635 CG1 VAL A 108 2.498 -6.844 7.272 1.00 0.00 C ATOM 1636 CG2 VAL A 108 3.442 -4.628 7.961 1.00 0.00 C ATOM 0 H VAL A 108 2.720 -3.184 5.542 1.00 0.00 H new ATOM 0 HA VAL A 108 4.253 -5.664 5.526 1.00 0.00 H new ATOM 0 HB VAL A 108 1.627 -4.940 6.890 1.00 0.00 H new ATOM 0 HG11 VAL A 108 2.047 -6.939 8.260 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.869 -7.344 6.536 1.00 0.00 H new ATOM 0 HG13 VAL A 108 3.486 -7.305 7.278 1.00 0.00 H new ATOM 0 HG21 VAL A 108 2.978 -4.754 8.939 1.00 0.00 H new ATOM 0 HG22 VAL A 108 4.455 -5.029 7.986 1.00 0.00 H new ATOM 0 HG23 VAL A 108 3.477 -3.568 7.710 1.00 0.00 H new ATOM 1646 N LEU A 109 3.012 -6.759 3.674 1.00 0.00 N ATOM 1647 CA LEU A 109 2.292 -7.499 2.643 1.00 0.00 C ATOM 1648 C LEU A 109 2.101 -8.956 3.052 1.00 0.00 C ATOM 1649 O LEU A 109 3.043 -9.747 3.026 1.00 0.00 O ATOM 1650 CB LEU A 109 3.044 -7.424 1.314 1.00 0.00 C ATOM 1651 CG LEU A 109 3.295 -6.021 0.762 1.00 0.00 C ATOM 1652 CD1 LEU A 109 4.161 -6.084 -0.486 1.00 0.00 C ATOM 1653 CD2 LEU A 109 1.976 -5.323 0.462 1.00 0.00 C ATOM 0 H LEU A 109 4.014 -6.949 3.707 1.00 0.00 H new ATOM 0 HA LEU A 109 1.309 -7.043 2.523 1.00 0.00 H new ATOM 0 HB2 LEU A 109 4.006 -7.922 1.435 1.00 0.00 H new ATOM 0 HB3 LEU A 109 2.483 -7.990 0.570 1.00 0.00 H new ATOM 0 HG LEU A 109 3.826 -5.444 1.519 1.00 0.00 H new ATOM 0 HD11 LEU A 109 4.328 -5.075 -0.864 1.00 0.00 H new ATOM 0 HD12 LEU A 109 5.119 -6.544 -0.241 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.658 -6.678 -1.249 1.00 0.00 H new ATOM 0 HD21 LEU A 109 2.173 -4.325 0.070 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.419 -5.900 -0.276 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.390 -5.244 1.378 1.00 0.00 H new ATOM 1665 N ASN A 110 0.874 -9.304 3.427 1.00 0.00 N ATOM 1666 CA ASN A 110 0.559 -10.667 3.839 1.00 0.00 C ATOM 1667 C ASN A 110 0.480 -11.596 2.632 1.00 0.00 C ATOM 1668 O ASN A 110 -0.328 -11.386 1.726 1.00 0.00 O ATOM 1669 CB ASN A 110 -0.765 -10.697 4.607 1.00 0.00 C ATOM 1670 CG ASN A 110 -0.601 -10.281 6.056 1.00 0.00 C ATOM 1671 OD1 ASN A 110 -0.433 -11.121 6.940 1.00 0.00 O ATOM 1672 ND2 ASN A 110 -0.651 -8.977 6.306 1.00 0.00 N ATOM 0 H ASN A 110 0.082 -8.661 3.454 1.00 0.00 H new ATOM 0 HA ASN A 110 1.359 -11.016 4.492 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -1.480 -10.034 4.120 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -1.184 -11.703 4.565 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -0.548 -8.637 7.262 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -0.792 -8.316 5.542 1.00 0.00 H new ATOM 1679 N ILE A 111 1.322 -12.623 2.626 1.00 0.00 N ATOM 1680 CA ILE A 111 1.346 -13.585 1.531 1.00 0.00 C ATOM 1681 C ILE A 111 0.192 -14.575 1.644 1.00 0.00 C ATOM 1682 O ILE A 111 0.271 -15.557 2.383 1.00 0.00 O ATOM 1683 CB ILE A 111 2.674 -14.365 1.496 1.00 0.00 C ATOM 1684 CG1 ILE A 111 3.856 -13.397 1.398 1.00 0.00 C ATOM 1685 CG2 ILE A 111 2.684 -15.341 0.329 1.00 0.00 C ATOM 1686 CD1 ILE A 111 3.839 -12.547 0.148 1.00 0.00 C ATOM 0 H ILE A 111 1.997 -12.811 3.367 1.00 0.00 H new ATOM 0 HA ILE A 111 1.244 -13.015 0.608 1.00 0.00 H new ATOM 0 HB ILE A 111 2.769 -14.934 2.421 1.00 0.00 H new ATOM 0 HG12 ILE A 111 3.854 -12.745 2.271 1.00 0.00 H new ATOM 0 HG13 ILE A 111 4.785 -13.967 1.428 1.00 0.00 H new ATOM 0 HG21 ILE A 111 3.629 -15.885 0.317 1.00 0.00 H new ATOM 0 HG22 ILE A 111 1.860 -16.047 0.438 1.00 0.00 H new ATOM 0 HG23 ILE A 111 2.570 -14.792 -0.606 1.00 0.00 H new ATOM 0 HD11 ILE A 111 4.705 -11.886 0.146 1.00 0.00 H new ATOM 0 HD12 ILE A 111 3.872 -13.191 -0.731 1.00 0.00 H new ATOM 0 HD13 ILE A 111 2.927 -11.950 0.126 1.00 0.00 H new ATOM 1698 N LYS A 112 -0.880 -14.312 0.905 1.00 0.00 N ATOM 1699 CA LYS A 112 -2.051 -15.180 0.917 1.00 0.00 C ATOM 1700 C LYS A 112 -1.867 -16.357 -0.035 1.00 0.00 C ATOM 1701 O LYS A 112 -0.978 -16.345 -0.887 1.00 0.00 O ATOM 1702 CB LYS A 112 -3.303 -14.389 0.530 1.00 0.00 C ATOM 1703 CG LYS A 112 -3.602 -13.229 1.464 1.00 0.00 C ATOM 1704 CD LYS A 112 -4.203 -13.708 2.774 1.00 0.00 C ATOM 1705 CE LYS A 112 -5.656 -14.125 2.601 1.00 0.00 C ATOM 1706 NZ LYS A 112 -6.214 -14.721 3.846 1.00 0.00 N ATOM 0 H LYS A 112 -0.962 -13.503 0.289 1.00 0.00 H new ATOM 0 HA LYS A 112 -2.172 -15.569 1.928 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -3.182 -14.007 -0.484 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -4.159 -15.064 0.516 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -2.684 -12.676 1.664 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -4.291 -12.538 0.978 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -3.625 -14.550 3.155 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -4.137 -12.914 3.518 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -6.251 -13.258 2.315 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -5.732 -14.846 1.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -7.205 -14.992 3.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -5.662 -15.564 4.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -6.165 -14.024 4.617 1.00 0.00 H new ATOM 1720 N ASP A 113 -2.711 -17.371 0.114 1.00 0.00 N ATOM 1721 CA ASP A 113 -2.643 -18.555 -0.735 1.00 0.00 C ATOM 1722 C ASP A 113 -3.987 -18.823 -1.404 1.00 0.00 C ATOM 1723 O ASP A 113 -4.978 -19.110 -0.733 1.00 0.00 O ATOM 1724 CB ASP A 113 -2.215 -19.773 0.085 1.00 0.00 C ATOM 1725 CG ASP A 113 -0.723 -19.797 0.352 1.00 0.00 C ATOM 1726 OD1 ASP A 113 -0.147 -18.716 0.599 1.00 0.00 O ATOM 1727 OD2 ASP A 113 -0.131 -20.895 0.315 1.00 0.00 O ATOM 0 H ASP A 113 -3.451 -17.397 0.815 1.00 0.00 H new ATOM 0 HA ASP A 113 -1.901 -18.372 -1.513 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -2.751 -19.775 1.034 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -2.501 -20.682 -0.444 1.00 0.00 H new ATOM 1732 N GLU A 114 -4.013 -18.726 -2.729 1.00 0.00 N ATOM 1733 CA GLU A 114 -5.237 -18.956 -3.488 1.00 0.00 C ATOM 1734 C GLU A 114 -5.317 -20.403 -3.965 1.00 0.00 C ATOM 1735 O GLU A 114 -6.323 -21.081 -3.758 1.00 0.00 O ATOM 1736 CB GLU A 114 -5.307 -18.008 -4.686 1.00 0.00 C ATOM 1737 CG GLU A 114 -6.556 -18.187 -5.533 1.00 0.00 C ATOM 1738 CD GLU A 114 -7.831 -17.946 -4.749 1.00 0.00 C ATOM 1739 OE1 GLU A 114 -8.092 -16.780 -4.385 1.00 0.00 O ATOM 1740 OE2 GLU A 114 -8.568 -18.923 -4.498 1.00 0.00 O ATOM 0 H GLU A 114 -3.201 -18.490 -3.299 1.00 0.00 H new ATOM 0 HA GLU A 114 -6.084 -18.761 -2.830 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -5.266 -16.980 -4.327 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -4.428 -18.162 -5.312 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -6.519 -17.500 -6.379 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -6.571 -19.197 -5.943 1.00 0.00 H new ATOM 1747 N ASN A 115 -4.250 -20.869 -4.605 1.00 0.00 N ATOM 1748 CA ASN A 115 -4.199 -22.235 -5.113 1.00 0.00 C ATOM 1749 C ASN A 115 -4.517 -23.239 -4.009 1.00 0.00 C ATOM 1750 O ASN A 115 -5.392 -24.091 -4.163 1.00 0.00 O ATOM 1751 CB ASN A 115 -2.820 -22.531 -5.705 1.00 0.00 C ATOM 1752 CG ASN A 115 -2.443 -23.995 -5.592 1.00 0.00 C ATOM 1753 OD1 ASN A 115 -2.758 -24.798 -6.471 1.00 0.00 O ATOM 1754 ND2 ASN A 115 -1.767 -24.350 -4.505 1.00 0.00 N ATOM 0 H ASN A 115 -3.409 -20.321 -4.784 1.00 0.00 H new ATOM 0 HA ASN A 115 -4.951 -22.332 -5.896 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -2.807 -22.236 -6.754 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -2.071 -21.926 -5.194 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -1.488 -25.322 -4.373 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -1.527 -23.651 -3.802 1.00 0.00 H new ATOM 1761 N ASP A 116 -3.800 -23.131 -2.895 1.00 0.00 N ATOM 1762 CA ASP A 116 -4.006 -24.027 -1.764 1.00 0.00 C ATOM 1763 C ASP A 116 -5.494 -24.244 -1.506 1.00 0.00 C ATOM 1764 O ASP A 116 -6.329 -23.440 -1.918 1.00 0.00 O ATOM 1765 CB ASP A 116 -3.336 -23.463 -0.510 1.00 0.00 C ATOM 1766 CG ASP A 116 -4.245 -22.525 0.260 1.00 0.00 C ATOM 1767 OD1 ASP A 116 -4.558 -21.437 -0.267 1.00 0.00 O ATOM 1768 OD2 ASP A 116 -4.642 -22.878 1.390 1.00 0.00 O ATOM 0 H ASP A 116 -3.071 -22.432 -2.752 1.00 0.00 H new ATOM 0 HA ASP A 116 -3.554 -24.988 -2.007 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -3.034 -24.286 0.138 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -2.428 -22.932 -0.795 1.00 0.00 H new ATOM 1773 N ASN A 117 -5.818 -25.337 -0.823 1.00 0.00 N ATOM 1774 CA ASN A 117 -7.206 -25.661 -0.511 1.00 0.00 C ATOM 1775 C ASN A 117 -7.904 -24.478 0.153 1.00 0.00 C ATOM 1776 O ASN A 117 -7.672 -24.185 1.326 1.00 0.00 O ATOM 1777 CB ASN A 117 -7.273 -26.886 0.402 1.00 0.00 C ATOM 1778 CG ASN A 117 -8.548 -26.927 1.222 1.00 0.00 C ATOM 1779 OD1 ASN A 117 -8.586 -26.450 2.356 1.00 0.00 O ATOM 1780 ND2 ASN A 117 -9.601 -27.499 0.649 1.00 0.00 N ATOM 0 H ASN A 117 -5.139 -26.014 -0.475 1.00 0.00 H new ATOM 0 HA ASN A 117 -7.720 -25.885 -1.446 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -7.204 -27.790 -0.202 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -6.413 -26.884 1.072 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -10.487 -27.556 1.151 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -9.524 -27.881 -0.293 1.00 0.00 H new ATOM 1787 N VAL A 118 -8.762 -23.802 -0.605 1.00 0.00 N ATOM 1788 CA VAL A 118 -9.496 -22.653 -0.090 1.00 0.00 C ATOM 1789 C VAL A 118 -10.579 -22.209 -1.068 1.00 0.00 C ATOM 1790 O VAL A 118 -10.301 -21.782 -2.189 1.00 0.00 O ATOM 1791 CB VAL A 118 -8.556 -21.466 0.190 1.00 0.00 C ATOM 1792 CG1 VAL A 118 -7.725 -21.140 -1.042 1.00 0.00 C ATOM 1793 CG2 VAL A 118 -9.352 -20.251 0.643 1.00 0.00 C ATOM 0 H VAL A 118 -8.965 -24.031 -1.578 1.00 0.00 H new ATOM 0 HA VAL A 118 -9.961 -22.968 0.844 1.00 0.00 H new ATOM 0 HB VAL A 118 -7.875 -21.746 0.994 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -7.067 -20.299 -0.825 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -7.126 -22.008 -1.317 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -8.386 -20.879 -1.868 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -8.672 -19.422 0.836 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -10.058 -19.967 -0.137 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -9.898 -20.493 1.555 1.00 0.00 H new ATOM 1803 N PRO A 119 -11.844 -22.312 -0.636 1.00 0.00 N ATOM 1804 CA PRO A 119 -12.995 -21.926 -1.457 1.00 0.00 C ATOM 1805 C PRO A 119 -13.083 -20.417 -1.659 1.00 0.00 C ATOM 1806 O PRO A 119 -12.713 -19.899 -2.712 1.00 0.00 O ATOM 1807 CB PRO A 119 -14.194 -22.428 -0.648 1.00 0.00 C ATOM 1808 CG PRO A 119 -13.710 -22.465 0.761 1.00 0.00 C ATOM 1809 CD PRO A 119 -12.249 -22.813 0.688 1.00 0.00 C ATOM 0 HA PRO A 119 -12.937 -22.344 -2.462 1.00 0.00 H new ATOM 0 HB2 PRO A 119 -15.051 -21.763 -0.755 1.00 0.00 H new ATOM 0 HB3 PRO A 119 -14.513 -23.415 -0.983 1.00 0.00 H new ATOM 0 HG2 PRO A 119 -13.858 -21.502 1.250 1.00 0.00 H new ATOM 0 HG3 PRO A 119 -14.259 -23.205 1.343 1.00 0.00 H new ATOM 0 HD2 PRO A 119 -11.682 -22.337 1.488 1.00 0.00 H new ATOM 0 HD3 PRO A 119 -12.087 -23.887 0.778 1.00 0.00 H new TER 1817 PRO A 119