USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 417 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 41 SER OG : rot -102:sc= 0.118 USER MOD Set 1.2: A 43 THR OG1 : rot 166:sc= 1.3 USER MOD Set 1.3: A 44 THR OG1 : rot 154:sc= 0.602 USER MOD Single : A 1 SER N :NH3+ 175:sc= 0.803 (180deg=0.73) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.0146 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot -148:sc= 0.282 USER MOD Single : A 14 THR OG1 : rot -50:sc= 0.844 USER MOD Single : A 19 SER OG : rot -168:sc= 1.46 USER MOD Single : A 21 HIS : no HE2:sc= 1.02 K(o=1,f=-3.1!) USER MOD Single : A 22 LYS NZ :NH3+ 136:sc= 1.25 (180deg=-0.0423) USER MOD Single : A 25 LYS NZ :NH3+ 160:sc= 1.93 (180deg=1.49) USER MOD Single : A 27 GLN : amide:sc= 1.13 K(o=1.1,f=-6.6!) USER MOD Single : A 30 ASN : amide:sc= 0.626 K(o=0.63,f=-4.5!) USER MOD Single : A 31 SER OG : rot 180:sc= 0.0186 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot -4:sc= 0.435 USER MOD Single : A 52 SER OG : rot -156:sc= 0.234 USER MOD Single : A 54 TYR OH : rot 168:sc= 0.368 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 30.043 44.103 30.223 1.00 0.00 N ATOM 2 CA SER A 1 30.388 42.680 30.024 1.00 0.00 C ATOM 3 C SER A 1 31.906 42.436 29.899 1.00 0.00 C ATOM 4 O SER A 1 32.357 41.290 29.998 1.00 0.00 O ATOM 5 CB SER A 1 29.576 41.998 28.903 1.00 0.00 C ATOM 6 OG SER A 1 30.152 42.108 27.619 1.00 0.00 O ATOM 0 H1 SER A 1 29.009 44.214 30.215 1.00 0.00 H new ATOM 0 H2 SER A 1 30.419 44.427 31.137 1.00 0.00 H new ATOM 0 H3 SER A 1 30.458 44.671 29.457 1.00 0.00 H new ATOM 0 HA SER A 1 30.081 42.184 30.945 1.00 0.00 H new ATOM 0 HB2 SER A 1 29.459 40.942 29.146 1.00 0.00 H new ATOM 0 HB3 SER A 1 28.577 42.432 28.879 1.00 0.00 H new ATOM 0 HG SER A 1 29.583 41.651 26.965 1.00 0.00 H new ATOM 12 N THR A 2 32.689 43.518 29.752 1.00 0.00 N ATOM 13 CA THR A 2 34.156 43.560 29.722 1.00 0.00 C ATOM 14 C THR A 2 34.752 43.136 31.055 1.00 0.00 C ATOM 15 O THR A 2 34.247 43.533 32.109 1.00 0.00 O ATOM 16 CB THR A 2 34.657 44.977 29.402 1.00 0.00 C ATOM 17 OG1 THR A 2 33.963 45.921 30.184 1.00 0.00 O ATOM 18 CG2 THR A 2 34.453 45.367 27.943 1.00 0.00 C ATOM 0 H THR A 2 32.284 44.448 29.644 1.00 0.00 H new ATOM 0 HA THR A 2 34.474 42.866 28.944 1.00 0.00 H new ATOM 0 HB THR A 2 35.725 44.973 29.620 1.00 0.00 H new ATOM 0 HG1 THR A 2 34.289 46.821 29.976 1.00 0.00 H new ATOM 0 HG21 THR A 2 34.827 46.378 27.781 1.00 0.00 H new ATOM 0 HG22 THR A 2 34.995 44.672 27.301 1.00 0.00 H new ATOM 0 HG23 THR A 2 33.391 45.330 27.702 1.00 0.00 H new ATOM 26 N LEU A 3 35.855 42.387 31.001 1.00 0.00 N ATOM 27 CA LEU A 3 36.704 42.099 32.157 1.00 0.00 C ATOM 28 C LEU A 3 37.852 43.111 32.313 1.00 0.00 C ATOM 29 O LEU A 3 38.210 43.821 31.370 1.00 0.00 O ATOM 30 CB LEU A 3 37.191 40.630 32.095 1.00 0.00 C ATOM 31 CG LEU A 3 38.184 40.240 30.970 1.00 0.00 C ATOM 32 CD1 LEU A 3 39.639 40.675 31.239 1.00 0.00 C ATOM 33 CD2 LEU A 3 38.171 38.712 30.804 1.00 0.00 C ATOM 0 H LEU A 3 36.188 41.957 30.138 1.00 0.00 H new ATOM 0 HA LEU A 3 36.108 42.215 33.062 1.00 0.00 H new ATOM 0 HB2 LEU A 3 37.659 40.393 33.050 1.00 0.00 H new ATOM 0 HB3 LEU A 3 36.313 39.991 32.002 1.00 0.00 H new ATOM 0 HG LEU A 3 37.850 40.762 30.073 1.00 0.00 H new ATOM 0 HD11 LEU A 3 40.271 40.366 30.407 1.00 0.00 H new ATOM 0 HD12 LEU A 3 39.681 41.759 31.343 1.00 0.00 H new ATOM 0 HD13 LEU A 3 39.994 40.208 32.158 1.00 0.00 H new ATOM 0 HD21 LEU A 3 38.866 38.426 30.015 1.00 0.00 H new ATOM 0 HD22 LEU A 3 38.471 38.242 31.740 1.00 0.00 H new ATOM 0 HD23 LEU A 3 37.166 38.383 30.539 1.00 0.00 H new ATOM 45 N PHE A 4 38.515 43.027 33.464 1.00 0.00 N ATOM 46 CA PHE A 4 39.744 43.724 33.840 1.00 0.00 C ATOM 47 C PHE A 4 40.358 43.090 35.100 1.00 0.00 C ATOM 48 O PHE A 4 39.676 42.385 35.848 1.00 0.00 O ATOM 49 CB PHE A 4 39.475 45.232 34.005 1.00 0.00 C ATOM 50 CG PHE A 4 40.704 46.109 33.870 1.00 0.00 C ATOM 51 CD1 PHE A 4 41.358 46.206 32.627 1.00 0.00 C ATOM 52 CD2 PHE A 4 41.178 46.857 34.965 1.00 0.00 C ATOM 53 CE1 PHE A 4 42.477 47.044 32.479 1.00 0.00 C ATOM 54 CE2 PHE A 4 42.288 47.704 34.812 1.00 0.00 C ATOM 55 CZ PHE A 4 42.940 47.797 33.570 1.00 0.00 C ATOM 0 H PHE A 4 38.182 42.424 34.216 1.00 0.00 H new ATOM 0 HA PHE A 4 40.479 43.617 33.042 1.00 0.00 H new ATOM 0 HB2 PHE A 4 38.741 45.541 33.261 1.00 0.00 H new ATOM 0 HB3 PHE A 4 39.028 45.403 34.984 1.00 0.00 H new ATOM 0 HD1 PHE A 4 40.999 45.634 31.784 1.00 0.00 H new ATOM 0 HD2 PHE A 4 40.687 46.779 35.924 1.00 0.00 H new ATOM 0 HE1 PHE A 4 42.981 47.109 31.526 1.00 0.00 H new ATOM 0 HE2 PHE A 4 42.642 48.285 35.651 1.00 0.00 H new ATOM 0 HZ PHE A 4 43.795 48.446 33.455 1.00 0.00 H new ATOM 65 N GLU A 5 41.666 43.267 35.288 1.00 0.00 N ATOM 66 CA GLU A 5 42.392 42.781 36.467 1.00 0.00 C ATOM 67 C GLU A 5 42.751 43.946 37.395 1.00 0.00 C ATOM 68 O GLU A 5 42.997 45.067 36.946 1.00 0.00 O ATOM 69 CB GLU A 5 43.668 42.028 36.061 1.00 0.00 C ATOM 70 CG GLU A 5 43.388 40.860 35.108 1.00 0.00 C ATOM 71 CD GLU A 5 44.631 39.982 34.916 1.00 0.00 C ATOM 72 OE1 GLU A 5 45.564 40.403 34.194 1.00 0.00 O ATOM 73 OE2 GLU A 5 44.666 38.861 35.480 1.00 0.00 O ATOM 0 H GLU A 5 42.260 43.757 34.619 1.00 0.00 H new ATOM 0 HA GLU A 5 41.737 42.090 36.998 1.00 0.00 H new ATOM 0 HB2 GLU A 5 44.359 42.723 35.584 1.00 0.00 H new ATOM 0 HB3 GLU A 5 44.163 41.651 36.956 1.00 0.00 H new ATOM 0 HG2 GLU A 5 42.571 40.255 35.502 1.00 0.00 H new ATOM 0 HG3 GLU A 5 43.062 41.247 34.143 1.00 0.00 H new ATOM 80 N ALA A 6 42.783 43.693 38.703 1.00 0.00 N ATOM 81 CA ALA A 6 43.164 44.643 39.730 1.00 0.00 C ATOM 82 C ALA A 6 44.638 45.051 39.592 1.00 0.00 C ATOM 83 O ALA A 6 45.552 44.233 39.748 1.00 0.00 O ATOM 84 CB ALA A 6 42.856 44.018 41.097 1.00 0.00 C ATOM 0 H ALA A 6 42.533 42.781 39.084 1.00 0.00 H new ATOM 0 HA ALA A 6 42.590 45.564 39.623 1.00 0.00 H new ATOM 0 HB1 ALA A 6 43.135 44.715 41.887 1.00 0.00 H new ATOM 0 HB2 ALA A 6 41.790 43.799 41.165 1.00 0.00 H new ATOM 0 HB3 ALA A 6 43.424 43.095 41.211 1.00 0.00 H new ATOM 90 N LEU A 7 44.843 46.344 39.337 1.00 0.00 N ATOM 91 CA LEU A 7 46.150 46.983 39.187 1.00 0.00 C ATOM 92 C LEU A 7 46.833 47.211 40.546 1.00 0.00 C ATOM 93 O LEU A 7 48.061 47.241 40.621 1.00 0.00 O ATOM 94 CB LEU A 7 45.951 48.314 38.436 1.00 0.00 C ATOM 95 CG LEU A 7 45.343 48.190 37.022 1.00 0.00 C ATOM 96 CD1 LEU A 7 45.073 49.598 36.473 1.00 0.00 C ATOM 97 CD2 LEU A 7 46.257 47.414 36.061 1.00 0.00 C ATOM 0 H LEU A 7 44.071 47.001 39.225 1.00 0.00 H new ATOM 0 HA LEU A 7 46.810 46.328 38.618 1.00 0.00 H new ATOM 0 HB2 LEU A 7 45.307 48.957 39.035 1.00 0.00 H new ATOM 0 HB3 LEU A 7 46.916 48.815 38.356 1.00 0.00 H new ATOM 0 HG LEU A 7 44.413 47.627 37.099 1.00 0.00 H new ATOM 0 HD11 LEU A 7 44.643 49.523 35.474 1.00 0.00 H new ATOM 0 HD12 LEU A 7 44.375 50.117 37.130 1.00 0.00 H new ATOM 0 HD13 LEU A 7 46.009 50.155 36.424 1.00 0.00 H new ATOM 0 HD21 LEU A 7 45.786 47.354 35.080 1.00 0.00 H new ATOM 0 HD22 LEU A 7 47.214 47.929 35.973 1.00 0.00 H new ATOM 0 HD23 LEU A 7 46.421 46.408 36.447 1.00 0.00 H new ATOM 109 N TYR A 8 46.041 47.343 41.615 1.00 0.00 N ATOM 110 CA TYR A 8 46.474 47.602 42.991 1.00 0.00 C ATOM 111 C TYR A 8 45.379 47.234 44.010 1.00 0.00 C ATOM 112 O TYR A 8 44.189 47.204 43.678 1.00 0.00 O ATOM 113 CB TYR A 8 46.914 49.070 43.140 1.00 0.00 C ATOM 114 CG TYR A 8 45.903 50.115 42.690 1.00 0.00 C ATOM 115 CD1 TYR A 8 44.941 50.613 43.589 1.00 0.00 C ATOM 116 CD2 TYR A 8 45.951 50.617 41.374 1.00 0.00 C ATOM 117 CE1 TYR A 8 44.034 51.611 43.181 1.00 0.00 C ATOM 118 CE2 TYR A 8 45.040 51.605 40.955 1.00 0.00 C ATOM 119 CZ TYR A 8 44.085 52.112 41.861 1.00 0.00 C ATOM 120 OH TYR A 8 43.234 53.097 41.463 1.00 0.00 O ATOM 0 H TYR A 8 45.027 47.268 41.539 1.00 0.00 H new ATOM 0 HA TYR A 8 47.330 46.963 43.206 1.00 0.00 H new ATOM 0 HB2 TYR A 8 47.155 49.253 44.187 1.00 0.00 H new ATOM 0 HB3 TYR A 8 47.833 49.213 42.572 1.00 0.00 H new ATOM 0 HD1 TYR A 8 44.898 50.228 44.597 1.00 0.00 H new ATOM 0 HD2 TYR A 8 46.691 50.241 40.683 1.00 0.00 H new ATOM 0 HE1 TYR A 8 43.301 51.992 43.876 1.00 0.00 H new ATOM 0 HE2 TYR A 8 45.072 51.975 39.941 1.00 0.00 H new ATOM 0 HH TYR A 8 43.409 53.321 40.525 1.00 0.00 H new ATOM 130 N ASP A 9 45.789 46.939 45.247 1.00 0.00 N ATOM 131 CA ASP A 9 44.901 46.574 46.356 1.00 0.00 C ATOM 132 C ASP A 9 44.074 47.771 46.866 1.00 0.00 C ATOM 133 O ASP A 9 44.476 48.931 46.765 1.00 0.00 O ATOM 134 CB ASP A 9 45.697 45.956 47.520 1.00 0.00 C ATOM 135 CG ASP A 9 46.756 44.942 47.080 1.00 0.00 C ATOM 136 OD1 ASP A 9 47.881 45.372 46.742 1.00 0.00 O ATOM 137 OD2 ASP A 9 46.471 43.722 47.081 1.00 0.00 O ATOM 0 H ASP A 9 46.774 46.948 45.512 1.00 0.00 H new ATOM 0 HA ASP A 9 44.205 45.833 45.963 1.00 0.00 H new ATOM 0 HB2 ASP A 9 46.184 46.755 48.079 1.00 0.00 H new ATOM 0 HB3 ASP A 9 45.002 45.467 48.203 1.00 0.00 H new ATOM 142 N TYR A 10 42.898 47.469 47.417 1.00 0.00 N ATOM 143 CA TYR A 10 41.859 48.432 47.783 1.00 0.00 C ATOM 144 C TYR A 10 40.930 47.871 48.879 1.00 0.00 C ATOM 145 O TYR A 10 40.793 46.655 49.025 1.00 0.00 O ATOM 146 CB TYR A 10 41.086 48.792 46.500 1.00 0.00 C ATOM 147 CG TYR A 10 40.000 49.836 46.667 1.00 0.00 C ATOM 148 CD1 TYR A 10 40.353 51.176 46.906 1.00 0.00 C ATOM 149 CD2 TYR A 10 38.643 49.471 46.587 1.00 0.00 C ATOM 150 CE1 TYR A 10 39.354 52.153 47.068 1.00 0.00 C ATOM 151 CE2 TYR A 10 37.637 50.440 46.762 1.00 0.00 C ATOM 152 CZ TYR A 10 37.993 51.787 47.002 1.00 0.00 C ATOM 153 OH TYR A 10 37.040 52.741 47.175 1.00 0.00 O ATOM 0 H TYR A 10 42.632 46.507 47.629 1.00 0.00 H new ATOM 0 HA TYR A 10 42.308 49.330 48.207 1.00 0.00 H new ATOM 0 HB2 TYR A 10 41.798 49.148 45.755 1.00 0.00 H new ATOM 0 HB3 TYR A 10 40.635 47.884 46.101 1.00 0.00 H new ATOM 0 HD1 TYR A 10 41.394 51.456 46.965 1.00 0.00 H new ATOM 0 HD2 TYR A 10 38.373 48.444 46.391 1.00 0.00 H new ATOM 0 HE1 TYR A 10 39.629 53.183 47.243 1.00 0.00 H new ATOM 0 HE2 TYR A 10 36.596 50.155 46.713 1.00 0.00 H new ATOM 0 HH TYR A 10 36.249 52.341 47.593 1.00 0.00 H new ATOM 163 N GLU A 11 40.218 48.738 49.602 1.00 0.00 N ATOM 164 CA GLU A 11 39.395 48.380 50.758 1.00 0.00 C ATOM 165 C GLU A 11 38.297 49.431 50.938 1.00 0.00 C ATOM 166 O GLU A 11 38.573 50.625 51.103 1.00 0.00 O ATOM 167 CB GLU A 11 40.267 48.257 52.020 1.00 0.00 C ATOM 168 CG GLU A 11 39.484 47.791 53.256 1.00 0.00 C ATOM 169 CD GLU A 11 38.977 46.347 53.113 1.00 0.00 C ATOM 170 OE1 GLU A 11 37.905 46.143 52.491 1.00 0.00 O ATOM 171 OE2 GLU A 11 39.652 45.425 53.627 1.00 0.00 O ATOM 0 H GLU A 11 40.198 49.736 49.393 1.00 0.00 H new ATOM 0 HA GLU A 11 38.926 47.410 50.590 1.00 0.00 H new ATOM 0 HB2 GLU A 11 41.078 47.555 51.826 1.00 0.00 H new ATOM 0 HB3 GLU A 11 40.726 49.223 52.232 1.00 0.00 H new ATOM 0 HG2 GLU A 11 40.122 47.865 54.137 1.00 0.00 H new ATOM 0 HG3 GLU A 11 38.637 48.457 53.419 1.00 0.00 H new ATOM 178 N ALA A 12 37.052 48.967 50.887 1.00 0.00 N ATOM 179 CA ALA A 12 35.863 49.756 50.614 1.00 0.00 C ATOM 180 C ALA A 12 35.632 50.926 51.588 1.00 0.00 C ATOM 181 O ALA A 12 35.343 50.744 52.774 1.00 0.00 O ATOM 182 CB ALA A 12 34.672 48.792 50.556 1.00 0.00 C ATOM 0 H ALA A 12 36.838 47.982 51.043 1.00 0.00 H new ATOM 0 HA ALA A 12 35.996 50.260 49.657 1.00 0.00 H new ATOM 0 HB1 ALA A 12 33.760 49.353 50.352 1.00 0.00 H new ATOM 0 HB2 ALA A 12 34.834 48.061 49.764 1.00 0.00 H new ATOM 0 HB3 ALA A 12 34.575 48.276 51.511 1.00 0.00 H new ATOM 188 N ARG A 13 35.575 52.124 51.004 1.00 0.00 N ATOM 189 CA ARG A 13 35.570 53.417 51.691 1.00 0.00 C ATOM 190 C ARG A 13 34.208 53.775 52.319 1.00 0.00 C ATOM 191 O ARG A 13 34.185 54.545 53.282 1.00 0.00 O ATOM 192 CB ARG A 13 36.040 54.501 50.698 1.00 0.00 C ATOM 193 CG ARG A 13 37.477 54.348 50.152 1.00 0.00 C ATOM 194 CD ARG A 13 38.589 54.595 51.183 1.00 0.00 C ATOM 195 NE ARG A 13 38.794 53.418 52.040 1.00 0.00 N ATOM 196 CZ ARG A 13 38.848 53.358 53.363 1.00 0.00 C ATOM 197 NH1 ARG A 13 38.800 54.433 54.126 1.00 0.00 N ATOM 198 NH2 ARG A 13 38.938 52.173 53.927 1.00 0.00 N ATOM 0 H ARG A 13 35.529 52.224 49.990 1.00 0.00 H new ATOM 0 HA ARG A 13 36.258 53.355 52.534 1.00 0.00 H new ATOM 0 HB2 ARG A 13 35.352 54.513 49.853 1.00 0.00 H new ATOM 0 HB3 ARG A 13 35.961 55.472 51.188 1.00 0.00 H new ATOM 0 HG2 ARG A 13 37.592 53.342 49.749 1.00 0.00 H new ATOM 0 HG3 ARG A 13 37.611 55.041 49.322 1.00 0.00 H new ATOM 0 HD2 ARG A 13 39.518 54.839 50.668 1.00 0.00 H new ATOM 0 HD3 ARG A 13 38.331 55.456 51.800 1.00 0.00 H new ATOM 0 HE ARG A 13 38.910 52.530 51.552 1.00 0.00 H new ATOM 0 HH11 ARG A 13 38.718 55.357 53.701 1.00 0.00 H new ATOM 0 HH12 ARG A 13 38.845 54.341 55.141 1.00 0.00 H new ATOM 0 HH21 ARG A 13 38.964 51.333 53.348 1.00 0.00 H new ATOM 0 HH22 ARG A 13 38.981 52.094 54.943 1.00 0.00 H new ATOM 212 N THR A 14 33.094 53.213 51.821 1.00 0.00 N ATOM 213 CA THR A 14 31.744 53.290 52.427 1.00 0.00 C ATOM 214 C THR A 14 31.273 51.941 52.978 1.00 0.00 C ATOM 215 O THR A 14 30.548 51.939 53.969 1.00 0.00 O ATOM 216 CB THR A 14 30.682 53.866 51.469 1.00 0.00 C ATOM 217 OG1 THR A 14 30.157 52.868 50.633 1.00 0.00 O ATOM 218 CG2 THR A 14 31.174 55.011 50.580 1.00 0.00 C ATOM 0 H THR A 14 33.103 52.673 50.956 1.00 0.00 H new ATOM 0 HA THR A 14 31.850 53.985 53.260 1.00 0.00 H new ATOM 0 HB THR A 14 29.919 54.270 52.135 1.00 0.00 H new ATOM 0 HG1 THR A 14 30.891 52.364 50.224 1.00 0.00 H new ATOM 0 HG21 THR A 14 30.359 55.351 49.941 1.00 0.00 H new ATOM 0 HG22 THR A 14 31.514 55.837 51.205 1.00 0.00 H new ATOM 0 HG23 THR A 14 32.000 54.661 49.960 1.00 0.00 H new ATOM 226 N GLU A 15 31.669 50.837 52.328 1.00 0.00 N ATOM 227 CA GLU A 15 31.341 49.412 52.558 1.00 0.00 C ATOM 228 C GLU A 15 30.187 48.914 51.654 1.00 0.00 C ATOM 229 O GLU A 15 29.923 47.712 51.594 1.00 0.00 O ATOM 230 CB GLU A 15 31.111 49.024 54.034 1.00 0.00 C ATOM 231 CG GLU A 15 32.352 49.267 54.905 1.00 0.00 C ATOM 232 CD GLU A 15 32.108 48.837 56.359 1.00 0.00 C ATOM 233 OE1 GLU A 15 32.130 47.616 56.642 1.00 0.00 O ATOM 234 OE2 GLU A 15 31.912 49.714 57.232 1.00 0.00 O ATOM 0 H GLU A 15 32.302 50.927 51.533 1.00 0.00 H new ATOM 0 HA GLU A 15 32.250 48.886 52.265 1.00 0.00 H new ATOM 0 HB2 GLU A 15 30.274 49.598 54.431 1.00 0.00 H new ATOM 0 HB3 GLU A 15 30.831 47.972 54.091 1.00 0.00 H new ATOM 0 HG2 GLU A 15 33.198 48.714 54.498 1.00 0.00 H new ATOM 0 HG3 GLU A 15 32.618 50.324 54.876 1.00 0.00 H new ATOM 241 N ASP A 16 29.525 49.813 50.914 1.00 0.00 N ATOM 242 CA ASP A 16 28.642 49.486 49.779 1.00 0.00 C ATOM 243 C ASP A 16 29.437 49.238 48.476 1.00 0.00 C ATOM 244 O ASP A 16 28.974 48.550 47.563 1.00 0.00 O ATOM 245 CB ASP A 16 27.659 50.650 49.584 1.00 0.00 C ATOM 246 CG ASP A 16 26.515 50.312 48.616 1.00 0.00 C ATOM 247 OD1 ASP A 16 25.720 49.392 48.925 1.00 0.00 O ATOM 248 OD2 ASP A 16 26.374 51.012 47.585 1.00 0.00 O ATOM 0 H ASP A 16 29.588 50.816 51.090 1.00 0.00 H new ATOM 0 HA ASP A 16 28.109 48.562 50.004 1.00 0.00 H new ATOM 0 HB2 ASP A 16 27.239 50.930 50.550 1.00 0.00 H new ATOM 0 HB3 ASP A 16 28.201 51.518 49.208 1.00 0.00 H new ATOM 253 N ASP A 17 30.650 49.789 48.414 1.00 0.00 N ATOM 254 CA ASP A 17 31.674 49.548 47.403 1.00 0.00 C ATOM 255 C ASP A 17 32.446 48.227 47.644 1.00 0.00 C ATOM 256 O ASP A 17 32.312 47.585 48.689 1.00 0.00 O ATOM 257 CB ASP A 17 32.549 50.812 47.260 1.00 0.00 C ATOM 258 CG ASP A 17 33.217 51.372 48.529 1.00 0.00 C ATOM 259 OD1 ASP A 17 32.536 51.551 49.575 1.00 0.00 O ATOM 260 OD2 ASP A 17 34.423 51.706 48.440 1.00 0.00 O ATOM 0 H ASP A 17 30.961 50.460 49.117 1.00 0.00 H new ATOM 0 HA ASP A 17 31.207 49.380 46.432 1.00 0.00 H new ATOM 0 HB2 ASP A 17 33.335 50.595 46.536 1.00 0.00 H new ATOM 0 HB3 ASP A 17 31.930 51.601 46.832 1.00 0.00 H new ATOM 265 N LEU A 18 33.219 47.784 46.645 1.00 0.00 N ATOM 266 CA LEU A 18 33.872 46.475 46.593 1.00 0.00 C ATOM 267 C LEU A 18 35.391 46.613 46.706 1.00 0.00 C ATOM 268 O LEU A 18 36.049 47.325 45.949 1.00 0.00 O ATOM 269 CB LEU A 18 33.479 45.729 45.302 1.00 0.00 C ATOM 270 CG LEU A 18 34.165 44.352 45.125 1.00 0.00 C ATOM 271 CD1 LEU A 18 33.878 43.375 46.279 1.00 0.00 C ATOM 272 CD2 LEU A 18 33.710 43.717 43.804 1.00 0.00 C ATOM 0 H LEU A 18 33.413 48.351 45.820 1.00 0.00 H new ATOM 0 HA LEU A 18 33.530 45.888 47.446 1.00 0.00 H new ATOM 0 HB2 LEU A 18 32.398 45.587 45.294 1.00 0.00 H new ATOM 0 HB3 LEU A 18 33.724 46.356 44.445 1.00 0.00 H new ATOM 0 HG LEU A 18 35.239 44.537 45.121 1.00 0.00 H new ATOM 0 HD11 LEU A 18 34.389 42.430 46.091 1.00 0.00 H new ATOM 0 HD12 LEU A 18 34.237 43.802 47.215 1.00 0.00 H new ATOM 0 HD13 LEU A 18 32.804 43.200 46.349 1.00 0.00 H new ATOM 0 HD21 LEU A 18 34.194 42.748 43.681 1.00 0.00 H new ATOM 0 HD22 LEU A 18 32.628 43.584 43.818 1.00 0.00 H new ATOM 0 HD23 LEU A 18 33.985 44.368 42.974 1.00 0.00 H new ATOM 284 N SER A 19 35.936 45.866 47.647 1.00 0.00 N ATOM 285 CA SER A 19 37.364 45.738 47.931 1.00 0.00 C ATOM 286 C SER A 19 38.057 44.724 47.015 1.00 0.00 C ATOM 287 O SER A 19 37.444 43.738 46.595 1.00 0.00 O ATOM 288 CB SER A 19 37.501 45.283 49.377 1.00 0.00 C ATOM 289 OG SER A 19 36.617 46.065 50.146 1.00 0.00 O ATOM 0 H SER A 19 35.366 45.297 48.273 1.00 0.00 H new ATOM 0 HA SER A 19 37.844 46.701 47.757 1.00 0.00 H new ATOM 0 HB2 SER A 19 37.260 44.224 49.472 1.00 0.00 H new ATOM 0 HB3 SER A 19 38.527 45.408 49.724 1.00 0.00 H new ATOM 0 HG SER A 19 36.813 45.940 51.098 1.00 0.00 H new ATOM 295 N PHE A 20 39.350 44.929 46.742 1.00 0.00 N ATOM 296 CA PHE A 20 40.124 44.102 45.818 1.00 0.00 C ATOM 297 C PHE A 20 41.551 43.836 46.315 1.00 0.00 C ATOM 298 O PHE A 20 42.115 44.571 47.123 1.00 0.00 O ATOM 299 CB PHE A 20 40.126 44.753 44.421 1.00 0.00 C ATOM 300 CG PHE A 20 38.919 44.400 43.572 1.00 0.00 C ATOM 301 CD1 PHE A 20 38.824 43.112 43.011 1.00 0.00 C ATOM 302 CD2 PHE A 20 37.903 45.344 43.326 1.00 0.00 C ATOM 303 CE1 PHE A 20 37.721 42.767 42.212 1.00 0.00 C ATOM 304 CE2 PHE A 20 36.804 45.001 42.517 1.00 0.00 C ATOM 305 CZ PHE A 20 36.711 43.713 41.964 1.00 0.00 C ATOM 0 H PHE A 20 39.892 45.683 47.163 1.00 0.00 H new ATOM 0 HA PHE A 20 39.643 43.126 45.759 1.00 0.00 H new ATOM 0 HB2 PHE A 20 40.171 45.836 44.537 1.00 0.00 H new ATOM 0 HB3 PHE A 20 41.030 44.451 43.892 1.00 0.00 H new ATOM 0 HD1 PHE A 20 39.602 42.386 43.196 1.00 0.00 H new ATOM 0 HD2 PHE A 20 37.968 46.332 43.758 1.00 0.00 H new ATOM 0 HE1 PHE A 20 37.649 41.776 41.789 1.00 0.00 H new ATOM 0 HE2 PHE A 20 36.031 45.729 42.321 1.00 0.00 H new ATOM 0 HZ PHE A 20 35.864 43.450 41.348 1.00 0.00 H new ATOM 315 N HIS A 21 42.153 42.796 45.745 1.00 0.00 N ATOM 316 CA HIS A 21 43.536 42.380 45.951 1.00 0.00 C ATOM 317 C HIS A 21 44.236 42.359 44.580 1.00 0.00 C ATOM 318 O HIS A 21 43.600 42.094 43.558 1.00 0.00 O ATOM 319 CB HIS A 21 43.513 41.006 46.647 1.00 0.00 C ATOM 320 CG HIS A 21 44.852 40.355 46.910 1.00 0.00 C ATOM 321 ND1 HIS A 21 45.997 40.966 47.356 1.00 0.00 N ATOM 322 CD2 HIS A 21 45.126 39.015 46.848 1.00 0.00 C ATOM 323 CE1 HIS A 21 46.935 40.027 47.547 1.00 0.00 C ATOM 324 NE2 HIS A 21 46.451 38.810 47.253 1.00 0.00 N ATOM 0 H HIS A 21 41.661 42.187 45.091 1.00 0.00 H new ATOM 0 HA HIS A 21 44.096 43.063 46.590 1.00 0.00 H new ATOM 0 HB2 HIS A 21 42.995 41.116 47.600 1.00 0.00 H new ATOM 0 HB3 HIS A 21 42.918 40.326 46.038 1.00 0.00 H new ATOM 0 HD1 HIS A 21 46.115 41.967 47.515 1.00 0.00 H new ATOM 0 HD2 HIS A 21 44.435 38.244 46.538 1.00 0.00 H new ATOM 0 HE1 HIS A 21 47.940 40.223 47.890 1.00 0.00 H new ATOM 332 N LYS A 22 45.528 42.693 44.532 1.00 0.00 N ATOM 333 CA LYS A 22 46.311 42.722 43.295 1.00 0.00 C ATOM 334 C LYS A 22 46.166 41.418 42.478 1.00 0.00 C ATOM 335 O LYS A 22 46.219 40.306 43.010 1.00 0.00 O ATOM 336 CB LYS A 22 47.774 43.104 43.606 1.00 0.00 C ATOM 337 CG LYS A 22 48.526 42.084 44.486 1.00 0.00 C ATOM 338 CD LYS A 22 50.034 42.361 44.591 1.00 0.00 C ATOM 339 CE LYS A 22 50.440 43.684 45.259 1.00 0.00 C ATOM 340 NZ LYS A 22 50.126 43.729 46.708 1.00 0.00 N ATOM 0 H LYS A 22 46.065 42.953 45.359 1.00 0.00 H new ATOM 0 HA LYS A 22 45.909 43.498 42.643 1.00 0.00 H new ATOM 0 HB2 LYS A 22 48.313 43.222 42.666 1.00 0.00 H new ATOM 0 HB3 LYS A 22 47.786 44.073 44.104 1.00 0.00 H new ATOM 0 HG2 LYS A 22 48.093 42.090 45.486 1.00 0.00 H new ATOM 0 HG3 LYS A 22 48.376 41.084 44.079 1.00 0.00 H new ATOM 0 HD2 LYS A 22 50.494 41.543 45.145 1.00 0.00 H new ATOM 0 HD3 LYS A 22 50.456 42.342 43.586 1.00 0.00 H new ATOM 0 HE2 LYS A 22 51.510 43.840 45.121 1.00 0.00 H new ATOM 0 HE3 LYS A 22 49.931 44.507 44.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 50.933 44.132 47.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 49.285 44.321 46.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 49.939 42.766 47.053 1.00 0.00 H new ATOM 354 N GLY A 23 45.949 41.564 41.168 1.00 0.00 N ATOM 355 CA GLY A 23 45.800 40.459 40.211 1.00 0.00 C ATOM 356 C GLY A 23 44.448 39.734 40.237 1.00 0.00 C ATOM 357 O GLY A 23 44.235 38.870 39.385 1.00 0.00 O ATOM 0 H GLY A 23 45.869 42.481 40.729 1.00 0.00 H new ATOM 0 HA2 GLY A 23 45.963 40.848 39.206 1.00 0.00 H new ATOM 0 HA3 GLY A 23 46.587 39.729 40.402 1.00 0.00 H new ATOM 361 N GLU A 24 43.522 40.079 41.141 1.00 0.00 N ATOM 362 CA GLU A 24 42.148 39.565 41.121 1.00 0.00 C ATOM 363 C GLU A 24 41.403 40.071 39.882 1.00 0.00 C ATOM 364 O GLU A 24 41.595 41.205 39.441 1.00 0.00 O ATOM 365 CB GLU A 24 41.371 39.975 42.379 1.00 0.00 C ATOM 366 CG GLU A 24 41.893 39.342 43.673 1.00 0.00 C ATOM 367 CD GLU A 24 41.654 37.829 43.720 1.00 0.00 C ATOM 368 OE1 GLU A 24 40.478 37.420 43.856 1.00 0.00 O ATOM 369 OE2 GLU A 24 42.639 37.058 43.634 1.00 0.00 O ATOM 0 H GLU A 24 43.706 40.725 41.909 1.00 0.00 H new ATOM 0 HA GLU A 24 42.213 38.477 41.093 1.00 0.00 H new ATOM 0 HB2 GLU A 24 41.408 41.060 42.478 1.00 0.00 H new ATOM 0 HB3 GLU A 24 40.324 39.702 42.251 1.00 0.00 H new ATOM 0 HG2 GLU A 24 42.960 39.542 43.767 1.00 0.00 H new ATOM 0 HG3 GLU A 24 41.404 39.811 44.527 1.00 0.00 H new ATOM 376 N LYS A 25 40.543 39.225 39.316 1.00 0.00 N ATOM 377 CA LYS A 25 39.845 39.502 38.060 1.00 0.00 C ATOM 378 C LYS A 25 38.370 39.844 38.303 1.00 0.00 C ATOM 379 O LYS A 25 37.699 39.193 39.106 1.00 0.00 O ATOM 380 CB LYS A 25 39.979 38.305 37.101 1.00 0.00 C ATOM 381 CG LYS A 25 41.420 37.814 36.853 1.00 0.00 C ATOM 382 CD LYS A 25 41.862 36.702 37.822 1.00 0.00 C ATOM 383 CE LYS A 25 43.116 35.950 37.352 1.00 0.00 C ATOM 384 NZ LYS A 25 44.336 36.793 37.342 1.00 0.00 N ATOM 0 H LYS A 25 40.309 38.318 39.720 1.00 0.00 H new ATOM 0 HA LYS A 25 40.311 40.373 37.599 1.00 0.00 H new ATOM 0 HB2 LYS A 25 39.394 37.476 37.498 1.00 0.00 H new ATOM 0 HB3 LYS A 25 39.536 38.577 36.143 1.00 0.00 H new ATOM 0 HG2 LYS A 25 41.500 37.447 35.830 1.00 0.00 H new ATOM 0 HG3 LYS A 25 42.104 38.658 36.943 1.00 0.00 H new ATOM 0 HD2 LYS A 25 42.055 37.139 38.802 1.00 0.00 H new ATOM 0 HD3 LYS A 25 41.045 35.991 37.945 1.00 0.00 H new ATOM 0 HE2 LYS A 25 43.281 35.091 38.003 1.00 0.00 H new ATOM 0 HE3 LYS A 25 42.943 35.561 36.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 45.179 36.184 37.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 44.344 37.382 36.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 44.342 37.405 38.182 1.00 0.00 H new ATOM 398 N PHE A 26 37.841 40.818 37.566 1.00 0.00 N ATOM 399 CA PHE A 26 36.461 41.285 37.663 1.00 0.00 C ATOM 400 C PHE A 26 35.863 41.620 36.291 1.00 0.00 C ATOM 401 O PHE A 26 36.574 41.744 35.299 1.00 0.00 O ATOM 402 CB PHE A 26 36.395 42.469 38.641 1.00 0.00 C ATOM 403 CG PHE A 26 37.181 43.715 38.261 1.00 0.00 C ATOM 404 CD1 PHE A 26 36.635 44.654 37.364 1.00 0.00 C ATOM 405 CD2 PHE A 26 38.429 43.974 38.863 1.00 0.00 C ATOM 406 CE1 PHE A 26 37.317 45.852 37.093 1.00 0.00 C ATOM 407 CE2 PHE A 26 39.111 45.174 38.591 1.00 0.00 C ATOM 408 CZ PHE A 26 38.549 46.118 37.716 1.00 0.00 C ATOM 0 H PHE A 26 38.380 41.321 36.861 1.00 0.00 H new ATOM 0 HA PHE A 26 35.843 40.478 38.055 1.00 0.00 H new ATOM 0 HB2 PHE A 26 35.349 42.751 38.764 1.00 0.00 H new ATOM 0 HB3 PHE A 26 36.749 42.127 39.613 1.00 0.00 H new ATOM 0 HD1 PHE A 26 35.689 44.452 36.883 1.00 0.00 H new ATOM 0 HD2 PHE A 26 38.863 43.249 39.535 1.00 0.00 H new ATOM 0 HE1 PHE A 26 36.894 46.569 36.405 1.00 0.00 H new ATOM 0 HE2 PHE A 26 40.067 45.369 39.055 1.00 0.00 H new ATOM 0 HZ PHE A 26 39.063 47.048 37.522 1.00 0.00 H new ATOM 418 N GLN A 27 34.540 41.758 36.252 1.00 0.00 N ATOM 419 CA GLN A 27 33.717 42.119 35.104 1.00 0.00 C ATOM 420 C GLN A 27 32.858 43.333 35.482 1.00 0.00 C ATOM 421 O GLN A 27 32.285 43.370 36.570 1.00 0.00 O ATOM 422 CB GLN A 27 32.847 40.899 34.748 1.00 0.00 C ATOM 423 CG GLN A 27 31.897 41.104 33.559 1.00 0.00 C ATOM 424 CD GLN A 27 31.069 39.845 33.262 1.00 0.00 C ATOM 425 OE1 GLN A 27 30.461 39.235 34.136 1.00 0.00 O ATOM 426 NE2 GLN A 27 31.017 39.396 32.025 1.00 0.00 N ATOM 0 H GLN A 27 33.974 41.609 37.087 1.00 0.00 H new ATOM 0 HA GLN A 27 34.322 42.387 34.238 1.00 0.00 H new ATOM 0 HB2 GLN A 27 33.502 40.056 34.529 1.00 0.00 H new ATOM 0 HB3 GLN A 27 32.257 40.625 35.622 1.00 0.00 H new ATOM 0 HG2 GLN A 27 31.227 41.938 33.770 1.00 0.00 H new ATOM 0 HG3 GLN A 27 32.475 41.375 32.675 1.00 0.00 H new ATOM 0 HE21 GLN A 27 31.515 39.887 31.283 1.00 0.00 H new ATOM 0 HE22 GLN A 27 30.479 38.557 31.809 1.00 0.00 H new ATOM 435 N ILE A 28 32.732 44.299 34.568 1.00 0.00 N ATOM 436 CA ILE A 28 31.801 45.429 34.705 1.00 0.00 C ATOM 437 C ILE A 28 30.437 45.028 34.132 1.00 0.00 C ATOM 438 O ILE A 28 30.330 44.598 32.982 1.00 0.00 O ATOM 439 CB ILE A 28 32.358 46.708 34.031 1.00 0.00 C ATOM 440 CG1 ILE A 28 33.716 47.167 34.615 1.00 0.00 C ATOM 441 CG2 ILE A 28 31.341 47.865 34.095 1.00 0.00 C ATOM 442 CD1 ILE A 28 33.747 47.397 36.132 1.00 0.00 C ATOM 0 H ILE A 28 33.276 44.322 33.705 1.00 0.00 H new ATOM 0 HA ILE A 28 31.681 45.669 35.762 1.00 0.00 H new ATOM 0 HB ILE A 28 32.531 46.438 32.989 1.00 0.00 H new ATOM 0 HG12 ILE A 28 34.469 46.420 34.364 1.00 0.00 H new ATOM 0 HG13 ILE A 28 34.009 48.093 34.120 1.00 0.00 H new ATOM 0 HG21 ILE A 28 31.763 48.747 33.613 1.00 0.00 H new ATOM 0 HG22 ILE A 28 30.425 47.574 33.580 1.00 0.00 H new ATOM 0 HG23 ILE A 28 31.115 48.093 35.137 1.00 0.00 H new ATOM 0 HD11 ILE A 28 34.746 47.715 36.431 1.00 0.00 H new ATOM 0 HD12 ILE A 28 33.025 48.169 36.398 1.00 0.00 H new ATOM 0 HD13 ILE A 28 33.493 46.470 36.646 1.00 0.00 H new ATOM 454 N LEU A 29 29.395 45.182 34.945 1.00 0.00 N ATOM 455 CA LEU A 29 27.994 44.888 34.648 1.00 0.00 C ATOM 456 C LEU A 29 27.241 46.129 34.138 1.00 0.00 C ATOM 457 O LEU A 29 26.388 46.006 33.260 1.00 0.00 O ATOM 458 CB LEU A 29 27.339 44.372 35.947 1.00 0.00 C ATOM 459 CG LEU A 29 27.968 43.102 36.562 1.00 0.00 C ATOM 460 CD1 LEU A 29 27.323 42.831 37.928 1.00 0.00 C ATOM 461 CD2 LEU A 29 27.793 41.882 35.645 1.00 0.00 C ATOM 0 H LEU A 29 29.514 45.540 35.893 1.00 0.00 H new ATOM 0 HA LEU A 29 27.945 44.140 33.856 1.00 0.00 H new ATOM 0 HB2 LEU A 29 27.375 45.168 36.690 1.00 0.00 H new ATOM 0 HB3 LEU A 29 26.287 44.172 35.746 1.00 0.00 H new ATOM 0 HG LEU A 29 29.038 43.271 36.681 1.00 0.00 H new ATOM 0 HD11 LEU A 29 27.763 41.936 38.367 1.00 0.00 H new ATOM 0 HD12 LEU A 29 27.497 43.681 38.587 1.00 0.00 H new ATOM 0 HD13 LEU A 29 26.251 42.683 37.801 1.00 0.00 H new ATOM 0 HD21 LEU A 29 28.248 41.008 36.111 1.00 0.00 H new ATOM 0 HD22 LEU A 29 26.731 41.696 35.485 1.00 0.00 H new ATOM 0 HD23 LEU A 29 28.276 42.075 34.687 1.00 0.00 H new ATOM 473 N ASN A 30 27.574 47.316 34.662 1.00 0.00 N ATOM 474 CA ASN A 30 27.020 48.607 34.239 1.00 0.00 C ATOM 475 C ASN A 30 27.932 49.791 34.598 1.00 0.00 C ATOM 476 O ASN A 30 28.342 49.977 35.742 1.00 0.00 O ATOM 477 CB ASN A 30 25.614 48.835 34.819 1.00 0.00 C ATOM 478 CG ASN A 30 25.035 50.196 34.412 1.00 0.00 C ATOM 479 OD1 ASN A 30 25.214 50.671 33.295 1.00 0.00 O ATOM 480 ND2 ASN A 30 24.372 50.892 35.315 1.00 0.00 N ATOM 0 H ASN A 30 28.257 47.406 35.414 1.00 0.00 H new ATOM 0 HA ASN A 30 26.951 48.560 33.152 1.00 0.00 H new ATOM 0 HB2 ASN A 30 24.949 48.042 34.478 1.00 0.00 H new ATOM 0 HB3 ASN A 30 25.656 48.770 35.906 1.00 0.00 H new ATOM 0 HD21 ASN A 30 24.012 51.818 35.082 1.00 0.00 H new ATOM 0 HD22 ASN A 30 24.219 50.505 36.246 1.00 0.00 H new ATOM 487 N SER A 31 28.188 50.626 33.600 1.00 0.00 N ATOM 488 CA SER A 31 29.028 51.824 33.623 1.00 0.00 C ATOM 489 C SER A 31 28.250 53.138 33.385 1.00 0.00 C ATOM 490 O SER A 31 28.838 54.215 33.448 1.00 0.00 O ATOM 491 CB SER A 31 30.045 51.657 32.487 1.00 0.00 C ATOM 492 OG SER A 31 29.357 51.265 31.304 1.00 0.00 O ATOM 0 H SER A 31 27.782 50.474 32.677 1.00 0.00 H new ATOM 0 HA SER A 31 29.478 51.908 34.612 1.00 0.00 H new ATOM 0 HB2 SER A 31 30.579 52.592 32.320 1.00 0.00 H new ATOM 0 HB3 SER A 31 30.790 50.908 32.755 1.00 0.00 H new ATOM 0 HG SER A 31 30.000 51.158 30.572 1.00 0.00 H new ATOM 498 N SER A 32 26.939 53.098 33.105 1.00 0.00 N ATOM 499 CA SER A 32 26.154 54.284 32.699 1.00 0.00 C ATOM 500 C SER A 32 25.954 55.322 33.816 1.00 0.00 C ATOM 501 O SER A 32 25.597 56.466 33.527 1.00 0.00 O ATOM 502 CB SER A 32 24.783 53.889 32.125 1.00 0.00 C ATOM 503 OG SER A 32 24.900 53.335 30.827 1.00 0.00 O ATOM 0 H SER A 32 26.387 52.242 33.153 1.00 0.00 H new ATOM 0 HA SER A 32 26.759 54.757 31.925 1.00 0.00 H new ATOM 0 HB2 SER A 32 24.305 53.167 32.787 1.00 0.00 H new ATOM 0 HB3 SER A 32 24.137 54.766 32.090 1.00 0.00 H new ATOM 0 HG SER A 32 24.011 53.094 30.493 1.00 0.00 H new ATOM 509 N GLU A 33 26.210 54.967 35.082 1.00 0.00 N ATOM 510 CA GLU A 33 26.293 55.923 36.197 1.00 0.00 C ATOM 511 C GLU A 33 27.585 56.781 36.160 1.00 0.00 C ATOM 512 O GLU A 33 27.651 57.814 36.830 1.00 0.00 O ATOM 513 CB GLU A 33 26.149 55.161 37.529 1.00 0.00 C ATOM 514 CG GLU A 33 24.684 54.853 37.872 1.00 0.00 C ATOM 515 CD GLU A 33 24.547 54.154 39.236 1.00 0.00 C ATOM 516 OE1 GLU A 33 24.455 54.864 40.264 1.00 0.00 O ATOM 517 OE2 GLU A 33 24.489 52.903 39.285 1.00 0.00 O ATOM 0 H GLU A 33 26.367 54.000 35.365 1.00 0.00 H new ATOM 0 HA GLU A 33 25.472 56.633 36.098 1.00 0.00 H new ATOM 0 HB2 GLU A 33 26.710 54.228 37.473 1.00 0.00 H new ATOM 0 HB3 GLU A 33 26.591 55.751 38.332 1.00 0.00 H new ATOM 0 HG2 GLU A 33 24.111 55.780 37.880 1.00 0.00 H new ATOM 0 HG3 GLU A 33 24.255 54.220 37.095 1.00 0.00 H new ATOM 524 N GLY A 34 28.592 56.395 35.360 1.00 0.00 N ATOM 525 CA GLY A 34 29.765 57.187 34.954 1.00 0.00 C ATOM 526 C GLY A 34 30.871 57.306 36.006 1.00 0.00 C ATOM 527 O GLY A 34 32.042 57.055 35.723 1.00 0.00 O ATOM 0 H GLY A 34 28.610 55.460 34.953 1.00 0.00 H new ATOM 0 HA2 GLY A 34 30.189 56.742 34.054 1.00 0.00 H new ATOM 0 HA3 GLY A 34 29.431 58.190 34.687 1.00 0.00 H new ATOM 531 N ASP A 35 30.493 57.709 37.213 1.00 0.00 N ATOM 532 CA ASP A 35 31.376 57.979 38.350 1.00 0.00 C ATOM 533 C ASP A 35 31.580 56.724 39.223 1.00 0.00 C ATOM 534 O ASP A 35 32.712 56.408 39.597 1.00 0.00 O ATOM 535 CB ASP A 35 30.761 59.143 39.144 1.00 0.00 C ATOM 536 CG ASP A 35 31.766 59.813 40.091 1.00 0.00 C ATOM 537 OD1 ASP A 35 32.594 60.619 39.601 1.00 0.00 O ATOM 538 OD2 ASP A 35 31.694 59.575 41.318 1.00 0.00 O ATOM 0 H ASP A 35 29.511 57.866 37.441 1.00 0.00 H new ATOM 0 HA ASP A 35 32.371 58.254 38.000 1.00 0.00 H new ATOM 0 HB2 ASP A 35 30.373 59.887 38.448 1.00 0.00 H new ATOM 0 HB3 ASP A 35 29.914 58.775 39.722 1.00 0.00 H new ATOM 543 N TRP A 36 30.498 55.973 39.473 1.00 0.00 N ATOM 544 CA TRP A 36 30.499 54.655 40.116 1.00 0.00 C ATOM 545 C TRP A 36 29.923 53.595 39.173 1.00 0.00 C ATOM 546 O TRP A 36 28.850 53.788 38.601 1.00 0.00 O ATOM 547 CB TRP A 36 29.651 54.689 41.393 1.00 0.00 C ATOM 548 CG TRP A 36 30.173 55.546 42.497 1.00 0.00 C ATOM 549 CD1 TRP A 36 29.915 56.860 42.657 1.00 0.00 C ATOM 550 CD2 TRP A 36 31.044 55.171 43.606 1.00 0.00 C ATOM 551 NE1 TRP A 36 30.558 57.327 43.783 1.00 0.00 N ATOM 552 CE2 TRP A 36 31.261 56.326 44.416 1.00 0.00 C ATOM 553 CE3 TRP A 36 31.675 53.974 44.010 1.00 0.00 C ATOM 554 CZ2 TRP A 36 32.048 56.294 45.575 1.00 0.00 C ATOM 555 CZ3 TRP A 36 32.473 53.933 45.168 1.00 0.00 C ATOM 556 CH2 TRP A 36 32.654 55.085 45.954 1.00 0.00 C ATOM 0 H TRP A 36 29.559 56.282 39.221 1.00 0.00 H new ATOM 0 HA TRP A 36 31.530 54.401 40.362 1.00 0.00 H new ATOM 0 HB2 TRP A 36 28.650 55.034 41.133 1.00 0.00 H new ATOM 0 HB3 TRP A 36 29.550 53.670 41.766 1.00 0.00 H new ATOM 0 HD1 TRP A 36 29.298 57.456 42.002 1.00 0.00 H new ATOM 0 HE1 TRP A 36 30.518 58.293 44.107 1.00 0.00 H new ATOM 0 HE3 TRP A 36 31.543 53.078 43.422 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 32.187 57.186 46.168 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 32.951 53.008 45.456 1.00 0.00 H new ATOM 0 HH2 TRP A 36 33.258 55.040 46.848 1.00 0.00 H new ATOM 567 N TRP A 37 30.612 52.464 39.029 1.00 0.00 N ATOM 568 CA TRP A 37 30.239 51.356 38.149 1.00 0.00 C ATOM 569 C TRP A 37 29.924 50.078 38.940 1.00 0.00 C ATOM 570 O TRP A 37 30.568 49.778 39.948 1.00 0.00 O ATOM 571 CB TRP A 37 31.384 51.092 37.162 1.00 0.00 C ATOM 572 CG TRP A 37 31.724 52.170 36.173 1.00 0.00 C ATOM 573 CD1 TRP A 37 31.055 53.327 35.966 1.00 0.00 C ATOM 574 CD2 TRP A 37 32.808 52.169 35.191 1.00 0.00 C ATOM 575 NE1 TRP A 37 31.621 54.015 34.917 1.00 0.00 N ATOM 576 CE2 TRP A 37 32.702 53.347 34.394 1.00 0.00 C ATOM 577 CE3 TRP A 37 33.860 51.281 34.882 1.00 0.00 C ATOM 578 CZ2 TRP A 37 33.578 53.627 33.339 1.00 0.00 C ATOM 579 CZ3 TRP A 37 34.754 51.556 33.828 1.00 0.00 C ATOM 580 CH2 TRP A 37 34.613 52.723 33.057 1.00 0.00 C ATOM 0 H TRP A 37 31.477 52.287 39.540 1.00 0.00 H new ATOM 0 HA TRP A 37 29.334 51.637 37.611 1.00 0.00 H new ATOM 0 HB2 TRP A 37 32.281 50.875 37.742 1.00 0.00 H new ATOM 0 HB3 TRP A 37 31.141 50.189 36.602 1.00 0.00 H new ATOM 0 HD1 TRP A 37 30.203 53.661 36.539 1.00 0.00 H new ATOM 0 HE1 TRP A 37 31.280 54.911 34.570 1.00 0.00 H new ATOM 0 HE3 TRP A 37 33.982 50.378 35.461 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 33.459 54.525 32.751 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 35.554 50.864 33.611 1.00 0.00 H new ATOM 0 HH2 TRP A 37 35.301 52.923 32.249 1.00 0.00 H new ATOM 591 N GLU A 38 28.955 49.312 38.443 1.00 0.00 N ATOM 592 CA GLU A 38 28.538 48.017 38.974 1.00 0.00 C ATOM 593 C GLU A 38 29.450 46.911 38.437 1.00 0.00 C ATOM 594 O GLU A 38 29.635 46.770 37.229 1.00 0.00 O ATOM 595 CB GLU A 38 27.078 47.713 38.607 1.00 0.00 C ATOM 596 CG GLU A 38 26.095 48.683 39.271 1.00 0.00 C ATOM 597 CD GLU A 38 24.643 48.366 38.885 1.00 0.00 C ATOM 598 OE1 GLU A 38 24.039 47.460 39.506 1.00 0.00 O ATOM 599 OE2 GLU A 38 24.106 49.018 37.958 1.00 0.00 O ATOM 0 H GLU A 38 28.416 49.590 37.623 1.00 0.00 H new ATOM 0 HA GLU A 38 28.617 48.055 40.060 1.00 0.00 H new ATOM 0 HB2 GLU A 38 26.960 47.765 37.525 1.00 0.00 H new ATOM 0 HB3 GLU A 38 26.836 46.693 38.906 1.00 0.00 H new ATOM 0 HG2 GLU A 38 26.205 48.629 40.354 1.00 0.00 H new ATOM 0 HG3 GLU A 38 26.336 49.705 38.977 1.00 0.00 H new ATOM 606 N VAL A 39 30.009 46.138 39.360 1.00 0.00 N ATOM 607 CA VAL A 39 31.062 45.145 39.138 1.00 0.00 C ATOM 608 C VAL A 39 30.712 43.824 39.834 1.00 0.00 C ATOM 609 O VAL A 39 30.007 43.805 40.843 1.00 0.00 O ATOM 610 CB VAL A 39 32.426 45.709 39.630 1.00 0.00 C ATOM 611 CG1 VAL A 39 32.443 46.020 41.139 1.00 0.00 C ATOM 612 CG2 VAL A 39 33.637 44.823 39.299 1.00 0.00 C ATOM 0 H VAL A 39 29.727 46.187 40.339 1.00 0.00 H new ATOM 0 HA VAL A 39 31.144 44.937 38.071 1.00 0.00 H new ATOM 0 HB VAL A 39 32.524 46.637 39.067 1.00 0.00 H new ATOM 0 HG11 VAL A 39 33.422 46.410 41.419 1.00 0.00 H new ATOM 0 HG12 VAL A 39 31.678 46.762 41.366 1.00 0.00 H new ATOM 0 HG13 VAL A 39 32.241 45.108 41.701 1.00 0.00 H new ATOM 0 HG21 VAL A 39 34.545 45.292 39.678 1.00 0.00 H new ATOM 0 HG22 VAL A 39 33.511 43.846 39.765 1.00 0.00 H new ATOM 0 HG23 VAL A 39 33.715 44.702 38.219 1.00 0.00 H new ATOM 622 N ARG A 40 31.293 42.733 39.337 1.00 0.00 N ATOM 623 CA ARG A 40 31.500 41.494 40.080 1.00 0.00 C ATOM 624 C ARG A 40 32.920 40.984 39.872 1.00 0.00 C ATOM 625 O ARG A 40 33.451 40.986 38.762 1.00 0.00 O ATOM 626 CB ARG A 40 30.454 40.426 39.724 1.00 0.00 C ATOM 627 CG ARG A 40 30.459 39.949 38.260 1.00 0.00 C ATOM 628 CD ARG A 40 29.461 38.797 38.094 1.00 0.00 C ATOM 629 NE ARG A 40 29.518 38.219 36.742 1.00 0.00 N ATOM 630 CZ ARG A 40 29.185 36.987 36.380 1.00 0.00 C ATOM 631 NH1 ARG A 40 28.721 36.095 37.233 1.00 0.00 N ATOM 632 NH2 ARG A 40 29.328 36.644 35.119 1.00 0.00 N ATOM 0 H ARG A 40 31.642 42.687 38.380 1.00 0.00 H new ATOM 0 HA ARG A 40 31.367 41.712 41.140 1.00 0.00 H new ATOM 0 HB2 ARG A 40 30.610 39.561 40.369 1.00 0.00 H new ATOM 0 HB3 ARG A 40 29.465 40.821 39.955 1.00 0.00 H new ATOM 0 HG2 ARG A 40 30.193 40.773 37.597 1.00 0.00 H new ATOM 0 HG3 ARG A 40 31.459 39.621 37.977 1.00 0.00 H new ATOM 0 HD2 ARG A 40 29.674 38.022 38.830 1.00 0.00 H new ATOM 0 HD3 ARG A 40 28.452 39.158 38.293 1.00 0.00 H new ATOM 0 HE ARG A 40 29.851 38.835 36.000 1.00 0.00 H new ATOM 0 HH11 ARG A 40 28.606 36.341 38.216 1.00 0.00 H new ATOM 0 HH12 ARG A 40 28.478 35.159 36.910 1.00 0.00 H new ATOM 0 HH21 ARG A 40 29.688 37.319 34.444 1.00 0.00 H new ATOM 0 HH22 ARG A 40 29.079 35.703 34.815 1.00 0.00 H new ATOM 646 N SER A 41 33.545 40.532 40.943 1.00 0.00 N ATOM 647 CA SER A 41 34.739 39.709 40.890 1.00 0.00 C ATOM 648 C SER A 41 34.397 38.290 40.404 1.00 0.00 C ATOM 649 O SER A 41 33.322 37.750 40.673 1.00 0.00 O ATOM 650 CB SER A 41 35.401 39.670 42.263 1.00 0.00 C ATOM 651 OG SER A 41 36.698 39.164 42.066 1.00 0.00 O ATOM 0 H SER A 41 33.231 40.731 41.893 1.00 0.00 H new ATOM 0 HA SER A 41 35.439 40.146 40.178 1.00 0.00 H new ATOM 0 HB2 SER A 41 35.436 40.666 42.705 1.00 0.00 H new ATOM 0 HB3 SER A 41 34.837 39.037 42.948 1.00 0.00 H new ATOM 0 HG SER A 41 36.728 38.224 42.341 1.00 0.00 H new ATOM 657 N LEU A 42 35.326 37.697 39.659 1.00 0.00 N ATOM 658 CA LEU A 42 35.190 36.435 38.930 1.00 0.00 C ATOM 659 C LEU A 42 35.860 35.262 39.667 1.00 0.00 C ATOM 660 O LEU A 42 35.410 34.121 39.573 1.00 0.00 O ATOM 661 CB LEU A 42 35.846 36.656 37.552 1.00 0.00 C ATOM 662 CG LEU A 42 35.154 37.722 36.673 1.00 0.00 C ATOM 663 CD1 LEU A 42 36.019 38.004 35.437 1.00 0.00 C ATOM 664 CD2 LEU A 42 33.745 37.274 36.260 1.00 0.00 C ATOM 0 H LEU A 42 36.252 38.109 39.540 1.00 0.00 H new ATOM 0 HA LEU A 42 34.138 36.167 38.838 1.00 0.00 H new ATOM 0 HB2 LEU A 42 36.886 36.947 37.702 1.00 0.00 H new ATOM 0 HB3 LEU A 42 35.855 35.709 37.012 1.00 0.00 H new ATOM 0 HG LEU A 42 35.047 38.638 37.254 1.00 0.00 H new ATOM 0 HD11 LEU A 42 35.532 38.756 34.816 1.00 0.00 H new ATOM 0 HD12 LEU A 42 36.996 38.371 35.752 1.00 0.00 H new ATOM 0 HD13 LEU A 42 36.145 37.086 34.864 1.00 0.00 H new ATOM 0 HD21 LEU A 42 33.284 38.045 35.643 1.00 0.00 H new ATOM 0 HD22 LEU A 42 33.810 36.346 35.693 1.00 0.00 H new ATOM 0 HD23 LEU A 42 33.139 37.113 37.151 1.00 0.00 H new ATOM 676 N THR A 43 36.914 35.576 40.421 1.00 0.00 N ATOM 677 CA THR A 43 37.711 34.686 41.277 1.00 0.00 C ATOM 678 C THR A 43 36.876 34.083 42.410 1.00 0.00 C ATOM 679 O THR A 43 36.925 32.872 42.621 1.00 0.00 O ATOM 680 CB THR A 43 38.866 35.495 41.857 1.00 0.00 C ATOM 681 OG1 THR A 43 38.291 36.655 42.390 1.00 0.00 O ATOM 682 CG2 THR A 43 39.900 35.917 40.810 1.00 0.00 C ATOM 0 H THR A 43 37.263 36.534 40.454 1.00 0.00 H new ATOM 0 HA THR A 43 38.080 33.856 40.675 1.00 0.00 H new ATOM 0 HB THR A 43 39.393 34.882 42.588 1.00 0.00 H new ATOM 0 HG1 THR A 43 38.938 37.102 42.975 1.00 0.00 H new ATOM 0 HG21 THR A 43 40.693 36.489 41.292 1.00 0.00 H new ATOM 0 HG22 THR A 43 40.326 35.030 40.341 1.00 0.00 H new ATOM 0 HG23 THR A 43 39.418 36.533 40.051 1.00 0.00 H new ATOM 690 N THR A 44 36.075 34.907 43.097 1.00 0.00 N ATOM 691 CA THR A 44 35.294 34.608 44.310 1.00 0.00 C ATOM 692 C THR A 44 33.788 34.851 44.158 1.00 0.00 C ATOM 693 O THR A 44 33.037 34.608 45.103 1.00 0.00 O ATOM 694 CB THR A 44 35.768 35.581 45.397 1.00 0.00 C ATOM 695 OG1 THR A 44 35.641 36.877 44.858 1.00 0.00 O ATOM 696 CG2 THR A 44 37.213 35.384 45.859 1.00 0.00 C ATOM 0 H THR A 44 35.944 35.874 42.799 1.00 0.00 H new ATOM 0 HA THR A 44 35.446 33.553 44.537 1.00 0.00 H new ATOM 0 HB THR A 44 35.156 35.406 46.282 1.00 0.00 H new ATOM 0 HG1 THR A 44 35.528 37.524 45.585 1.00 0.00 H new ATOM 0 HG21 THR A 44 37.453 36.119 46.628 1.00 0.00 H new ATOM 0 HG22 THR A 44 37.331 34.380 46.267 1.00 0.00 H new ATOM 0 HG23 THR A 44 37.887 35.512 45.012 1.00 0.00 H new ATOM 704 N GLY A 45 33.338 35.375 43.012 1.00 0.00 N ATOM 705 CA GLY A 45 31.932 35.722 42.743 1.00 0.00 C ATOM 706 C GLY A 45 31.390 36.983 43.442 1.00 0.00 C ATOM 707 O GLY A 45 30.206 37.287 43.290 1.00 0.00 O ATOM 0 H GLY A 45 33.954 35.576 42.225 1.00 0.00 H new ATOM 0 HA2 GLY A 45 31.812 35.850 41.667 1.00 0.00 H new ATOM 0 HA3 GLY A 45 31.310 34.876 43.035 1.00 0.00 H new ATOM 711 N GLU A 46 32.202 37.705 44.221 1.00 0.00 N ATOM 712 CA GLU A 46 31.751 38.840 45.048 1.00 0.00 C ATOM 713 C GLU A 46 31.367 40.067 44.198 1.00 0.00 C ATOM 714 O GLU A 46 32.087 40.428 43.269 1.00 0.00 O ATOM 715 CB GLU A 46 32.833 39.200 46.079 1.00 0.00 C ATOM 716 CG GLU A 46 32.992 38.098 47.137 1.00 0.00 C ATOM 717 CD GLU A 46 34.244 38.319 47.992 1.00 0.00 C ATOM 718 OE1 GLU A 46 35.362 38.182 47.441 1.00 0.00 O ATOM 719 OE2 GLU A 46 34.107 38.604 49.206 1.00 0.00 O ATOM 0 H GLU A 46 33.202 37.520 44.299 1.00 0.00 H new ATOM 0 HA GLU A 46 30.847 38.530 45.573 1.00 0.00 H new ATOM 0 HB2 GLU A 46 33.784 39.357 45.570 1.00 0.00 H new ATOM 0 HB3 GLU A 46 32.574 40.140 46.567 1.00 0.00 H new ATOM 0 HG2 GLU A 46 32.111 38.078 47.778 1.00 0.00 H new ATOM 0 HG3 GLU A 46 33.052 37.127 46.646 1.00 0.00 H new ATOM 726 N THR A 47 30.233 40.711 44.513 1.00 0.00 N ATOM 727 CA THR A 47 29.603 41.795 43.725 1.00 0.00 C ATOM 728 C THR A 47 29.564 43.095 44.530 1.00 0.00 C ATOM 729 O THR A 47 29.447 43.066 45.756 1.00 0.00 O ATOM 730 CB THR A 47 28.182 41.371 43.314 1.00 0.00 C ATOM 731 OG1 THR A 47 28.275 40.244 42.477 1.00 0.00 O ATOM 732 CG2 THR A 47 27.377 42.403 42.522 1.00 0.00 C ATOM 0 H THR A 47 29.705 40.486 45.356 1.00 0.00 H new ATOM 0 HA THR A 47 30.196 41.974 42.828 1.00 0.00 H new ATOM 0 HB THR A 47 27.664 41.204 44.259 1.00 0.00 H new ATOM 0 HG1 THR A 47 27.376 39.961 42.208 1.00 0.00 H new ATOM 0 HG21 THR A 47 26.394 41.995 42.288 1.00 0.00 H new ATOM 0 HG22 THR A 47 27.262 43.309 43.117 1.00 0.00 H new ATOM 0 HG23 THR A 47 27.901 42.641 41.596 1.00 0.00 H new ATOM 740 N GLY A 48 29.615 44.234 43.835 1.00 0.00 N ATOM 741 CA GLY A 48 29.426 45.570 44.405 1.00 0.00 C ATOM 742 C GLY A 48 29.652 46.702 43.403 1.00 0.00 C ATOM 743 O GLY A 48 29.396 46.565 42.202 1.00 0.00 O ATOM 0 H GLY A 48 29.794 44.253 42.831 1.00 0.00 H new ATOM 0 HA2 GLY A 48 28.414 45.646 44.803 1.00 0.00 H new ATOM 0 HA3 GLY A 48 30.110 45.698 45.244 1.00 0.00 H new ATOM 747 N TYR A 49 30.130 47.832 43.921 1.00 0.00 N ATOM 748 CA TYR A 49 30.479 49.032 43.156 1.00 0.00 C ATOM 749 C TYR A 49 31.964 49.404 43.291 1.00 0.00 C ATOM 750 O TYR A 49 32.580 49.230 44.337 1.00 0.00 O ATOM 751 CB TYR A 49 29.643 50.220 43.645 1.00 0.00 C ATOM 752 CG TYR A 49 28.261 50.337 43.045 1.00 0.00 C ATOM 753 CD1 TYR A 49 28.073 51.104 41.877 1.00 0.00 C ATOM 754 CD2 TYR A 49 27.156 49.757 43.694 1.00 0.00 C ATOM 755 CE1 TYR A 49 26.775 51.338 41.390 1.00 0.00 C ATOM 756 CE2 TYR A 49 25.857 49.973 43.203 1.00 0.00 C ATOM 757 CZ TYR A 49 25.663 50.779 42.063 1.00 0.00 C ATOM 758 OH TYR A 49 24.398 51.011 41.629 1.00 0.00 O ATOM 0 H TYR A 49 30.292 47.943 44.922 1.00 0.00 H new ATOM 0 HA TYR A 49 30.273 48.809 42.109 1.00 0.00 H new ATOM 0 HB2 TYR A 49 29.545 50.150 44.728 1.00 0.00 H new ATOM 0 HB3 TYR A 49 30.191 51.138 43.433 1.00 0.00 H new ATOM 0 HD1 TYR A 49 28.927 51.512 41.356 1.00 0.00 H new ATOM 0 HD2 TYR A 49 27.306 49.145 44.571 1.00 0.00 H new ATOM 0 HE1 TYR A 49 26.627 51.941 40.507 1.00 0.00 H new ATOM 0 HE2 TYR A 49 25.009 49.522 43.698 1.00 0.00 H new ATOM 0 HH TYR A 49 24.420 51.638 40.876 1.00 0.00 H new ATOM 768 N ILE A 50 32.512 50.010 42.243 1.00 0.00 N ATOM 769 CA ILE A 50 33.840 50.640 42.242 1.00 0.00 C ATOM 770 C ILE A 50 33.814 52.024 41.575 1.00 0.00 C ATOM 771 O ILE A 50 33.038 52.220 40.633 1.00 0.00 O ATOM 772 CB ILE A 50 34.916 49.720 41.610 1.00 0.00 C ATOM 773 CG1 ILE A 50 34.467 49.095 40.268 1.00 0.00 C ATOM 774 CG2 ILE A 50 35.344 48.657 42.639 1.00 0.00 C ATOM 775 CD1 ILE A 50 35.561 48.278 39.566 1.00 0.00 C ATOM 0 H ILE A 50 32.037 50.082 41.343 1.00 0.00 H new ATOM 0 HA ILE A 50 34.121 50.790 43.284 1.00 0.00 H new ATOM 0 HB ILE A 50 35.781 50.333 41.355 1.00 0.00 H new ATOM 0 HG12 ILE A 50 33.606 48.452 40.448 1.00 0.00 H new ATOM 0 HG13 ILE A 50 34.136 49.891 39.600 1.00 0.00 H new ATOM 0 HG21 ILE A 50 36.101 48.008 42.198 1.00 0.00 H new ATOM 0 HG22 ILE A 50 35.756 49.149 43.520 1.00 0.00 H new ATOM 0 HG23 ILE A 50 34.478 48.061 42.928 1.00 0.00 H new ATOM 0 HD11 ILE A 50 35.170 47.872 38.633 1.00 0.00 H new ATOM 0 HD12 ILE A 50 36.415 48.921 39.353 1.00 0.00 H new ATOM 0 HD13 ILE A 50 35.876 47.460 40.213 1.00 0.00 H new ATOM 787 N PRO A 51 34.648 52.977 42.043 1.00 0.00 N ATOM 788 CA PRO A 51 34.854 54.245 41.363 1.00 0.00 C ATOM 789 C PRO A 51 35.556 53.976 40.027 1.00 0.00 C ATOM 790 O PRO A 51 36.519 53.215 39.946 1.00 0.00 O ATOM 791 CB PRO A 51 35.666 55.110 42.335 1.00 0.00 C ATOM 792 CG PRO A 51 36.444 54.090 43.162 1.00 0.00 C ATOM 793 CD PRO A 51 35.498 52.894 43.226 1.00 0.00 C ATOM 0 HA PRO A 51 33.933 54.772 41.112 1.00 0.00 H new ATOM 0 HB2 PRO A 51 36.334 55.789 41.805 1.00 0.00 H new ATOM 0 HB3 PRO A 51 35.019 55.724 42.962 1.00 0.00 H new ATOM 0 HG2 PRO A 51 37.391 53.829 42.691 1.00 0.00 H new ATOM 0 HG3 PRO A 51 36.677 54.472 44.156 1.00 0.00 H new ATOM 0 HD2 PRO A 51 36.056 51.958 43.238 1.00 0.00 H new ATOM 0 HD3 PRO A 51 34.900 52.920 44.137 1.00 0.00 H new ATOM 801 N SER A 52 35.030 54.567 38.960 1.00 0.00 N ATOM 802 CA SER A 52 35.483 54.382 37.580 1.00 0.00 C ATOM 803 C SER A 52 36.954 54.737 37.274 1.00 0.00 C ATOM 804 O SER A 52 37.544 54.014 36.457 1.00 0.00 O ATOM 805 CB SER A 52 34.570 55.184 36.649 1.00 0.00 C ATOM 806 OG SER A 52 34.735 56.569 36.857 1.00 0.00 O ATOM 0 H SER A 52 34.245 55.214 39.032 1.00 0.00 H new ATOM 0 HA SER A 52 35.426 53.306 37.414 1.00 0.00 H new ATOM 0 HB2 SER A 52 34.795 54.938 35.611 1.00 0.00 H new ATOM 0 HB3 SER A 52 33.531 54.907 36.824 1.00 0.00 H new ATOM 0 HG SER A 52 33.928 57.042 36.565 1.00 0.00 H new ATOM 812 N PRO A 53 37.595 55.781 37.863 1.00 0.00 N ATOM 813 CA PRO A 53 38.933 56.184 37.434 1.00 0.00 C ATOM 814 C PRO A 53 40.020 55.188 37.865 1.00 0.00 C ATOM 815 O PRO A 53 41.152 55.317 37.409 1.00 0.00 O ATOM 816 CB PRO A 53 39.160 57.579 38.018 1.00 0.00 C ATOM 817 CG PRO A 53 38.348 57.539 39.304 1.00 0.00 C ATOM 818 CD PRO A 53 37.137 56.699 38.910 1.00 0.00 C ATOM 0 HA PRO A 53 39.000 56.198 36.346 1.00 0.00 H new ATOM 0 HB2 PRO A 53 40.216 57.770 38.211 1.00 0.00 H new ATOM 0 HB3 PRO A 53 38.812 58.362 37.344 1.00 0.00 H new ATOM 0 HG2 PRO A 53 38.907 57.085 40.122 1.00 0.00 H new ATOM 0 HG3 PRO A 53 38.059 58.538 39.632 1.00 0.00 H new ATOM 0 HD2 PRO A 53 36.750 56.149 39.768 1.00 0.00 H new ATOM 0 HD3 PRO A 53 36.327 57.331 38.546 1.00 0.00 H new ATOM 826 N TYR A 54 39.689 54.199 38.712 1.00 0.00 N ATOM 827 CA TYR A 54 40.529 53.027 38.993 1.00 0.00 C ATOM 828 C TYR A 54 41.170 52.461 37.709 1.00 0.00 C ATOM 829 O TYR A 54 42.392 52.306 37.638 1.00 0.00 O ATOM 830 CB TYR A 54 39.664 51.965 39.695 1.00 0.00 C ATOM 831 CG TYR A 54 40.427 50.719 40.101 1.00 0.00 C ATOM 832 CD1 TYR A 54 40.734 49.731 39.142 1.00 0.00 C ATOM 833 CD2 TYR A 54 40.854 50.558 41.433 1.00 0.00 C ATOM 834 CE1 TYR A 54 41.512 48.616 39.498 1.00 0.00 C ATOM 835 CE2 TYR A 54 41.618 49.436 41.802 1.00 0.00 C ATOM 836 CZ TYR A 54 41.962 48.475 40.827 1.00 0.00 C ATOM 837 OH TYR A 54 42.738 47.415 41.162 1.00 0.00 O ATOM 0 H TYR A 54 38.811 54.194 39.231 1.00 0.00 H new ATOM 0 HA TYR A 54 41.352 53.324 39.643 1.00 0.00 H new ATOM 0 HB2 TYR A 54 39.213 52.408 40.583 1.00 0.00 H new ATOM 0 HB3 TYR A 54 38.848 51.679 39.031 1.00 0.00 H new ATOM 0 HD1 TYR A 54 40.370 49.832 38.130 1.00 0.00 H new ATOM 0 HD2 TYR A 54 40.594 51.299 42.174 1.00 0.00 H new ATOM 0 HE1 TYR A 54 41.764 47.871 38.758 1.00 0.00 H new ATOM 0 HE2 TYR A 54 41.940 49.311 42.825 1.00 0.00 H new ATOM 0 HH TYR A 54 43.127 47.562 42.050 1.00 0.00 H new ATOM 847 N LEU A 55 40.358 52.324 36.650 1.00 0.00 N ATOM 848 CA LEU A 55 40.753 51.842 35.326 1.00 0.00 C ATOM 849 C LEU A 55 40.524 52.866 34.196 1.00 0.00 C ATOM 850 O LEU A 55 41.210 52.795 33.177 1.00 0.00 O ATOM 851 CB LEU A 55 40.088 50.473 35.042 1.00 0.00 C ATOM 852 CG LEU A 55 38.544 50.379 34.971 1.00 0.00 C ATOM 853 CD1 LEU A 55 38.163 49.048 34.300 1.00 0.00 C ATOM 854 CD2 LEU A 55 37.851 50.425 36.347 1.00 0.00 C ATOM 0 H LEU A 55 39.366 52.557 36.699 1.00 0.00 H new ATOM 0 HA LEU A 55 41.834 51.703 35.341 1.00 0.00 H new ATOM 0 HB2 LEU A 55 40.482 50.108 34.093 1.00 0.00 H new ATOM 0 HB3 LEU A 55 40.423 49.780 35.814 1.00 0.00 H new ATOM 0 HG LEU A 55 38.207 51.249 34.407 1.00 0.00 H new ATOM 0 HD11 LEU A 55 37.078 48.967 34.243 1.00 0.00 H new ATOM 0 HD12 LEU A 55 38.583 49.014 33.295 1.00 0.00 H new ATOM 0 HD13 LEU A 55 38.558 48.219 34.887 1.00 0.00 H new ATOM 0 HD21 LEU A 55 36.772 50.354 36.213 1.00 0.00 H new ATOM 0 HD22 LEU A 55 38.197 49.590 36.957 1.00 0.00 H new ATOM 0 HD23 LEU A 55 38.094 51.363 36.846 1.00 0.00 H new ATOM 866 N ALA A 56 39.616 53.837 34.366 1.00 0.00 N ATOM 867 CA ALA A 56 39.337 54.889 33.380 1.00 0.00 C ATOM 868 C ALA A 56 40.293 56.103 33.449 1.00 0.00 C ATOM 869 O ALA A 56 40.564 56.560 34.548 1.00 0.00 O ATOM 870 CB ALA A 56 37.875 55.332 33.551 1.00 0.00 C ATOM 0 H ALA A 56 39.045 53.914 35.208 1.00 0.00 H new ATOM 0 HA ALA A 56 39.508 54.463 32.391 1.00 0.00 H new ATOM 0 HB1 ALA A 56 37.645 56.114 32.828 1.00 0.00 H new ATOM 0 HB2 ALA A 56 37.215 54.480 33.387 1.00 0.00 H new ATOM 0 HB3 ALA A 56 37.727 55.716 34.560 1.00 0.00 H new TER 876 ALA A 56