USER MOD reduce.3.24.130724 H: found=0, std=0, add=777, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 774 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 22 THR OG1 : rot -86:sc= 0.234 USER MOD Set 1.2: A 55 GLN : amide:sc= -3.29 K(o=-3.1,f=-6.4!) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.012 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 103:sc= 0.00456 USER MOD Single : A 18 SER OG : rot 180:sc= -0.0212 USER MOD Single : A 20 CYS SG : rot -47:sc= 0.649 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.208 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.152 X(o=-0.15,f=-0.14) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -3.59! C(o=-3.6!,f=-5.9!) USER MOD Single : A 31 THR OG1 : rot -17:sc= 0.688 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.552 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.203 K(o=-0.2,f=-1.3!) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= -0.671 USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.0585 USER MOD Single : A 65 THR OG1 : rot -162:sc= -0.773 USER MOD Single : A 71 ASN : amide:sc= -0.231 K(o=-0.23,f=-1.9) USER MOD Single : A 72 THR OG1 : rot -98:sc= -0.157 USER MOD Single : A 77 HIS : no HD1:sc= -1.06 K(o=-1.1,f=-1.8) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -47:sc= 0.275 USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 4.626 2.595 -3.037 1.00 50.12 N ATOM 2 CA PRO A 1 5.933 1.964 -3.245 1.00 74.03 C ATOM 3 C PRO A 1 5.824 0.455 -3.433 1.00 71.34 C ATOM 4 O PRO A 1 4.795 -0.148 -3.122 1.00 45.43 O ATOM 5 CB PRO A 1 6.693 2.289 -1.957 1.00 33.10 C ATOM 6 CG PRO A 1 5.631 2.491 -0.931 1.00 61.45 C ATOM 7 CD PRO A 1 4.460 3.089 -1.660 1.00 52.41 C ATOM 0 H2 PRO A 1 3.888 1.922 -3.247 1.00 50.12 H new ATOM 0 H3 PRO A 1 4.517 3.371 -3.690 1.00 50.12 H new ATOM 0 HA PRO A 1 6.423 2.328 -4.148 1.00 74.03 H new ATOM 0 HB2 PRO A 1 7.364 1.477 -1.678 1.00 33.10 H new ATOM 0 HB3 PRO A 1 7.306 3.183 -2.074 1.00 33.10 H new ATOM 0 HG2 PRO A 1 5.357 1.546 -0.461 1.00 61.45 H new ATOM 0 HG3 PRO A 1 5.976 3.153 -0.137 1.00 61.45 H new ATOM 0 HD2 PRO A 1 3.512 2.767 -1.229 1.00 52.41 H new ATOM 0 HD3 PRO A 1 4.475 4.178 -1.619 1.00 52.41 H new ATOM 15 N LEU A 2 6.890 -0.151 -3.944 1.00 22.44 N ATOM 16 CA LEU A 2 6.915 -1.592 -4.173 1.00 11.12 C ATOM 17 C LEU A 2 8.335 -2.074 -4.453 1.00 35.52 C ATOM 18 O LEU A 2 9.238 -1.274 -4.696 1.00 40.22 O ATOM 19 CB LEU A 2 6.000 -1.958 -5.342 1.00 54.15 C ATOM 20 CG LEU A 2 5.097 -3.174 -5.133 1.00 54.01 C ATOM 21 CD1 LEU A 2 3.961 -2.838 -4.179 1.00 53.54 C ATOM 22 CD2 LEU A 2 4.549 -3.667 -6.464 1.00 61.35 C ATOM 0 H LEU A 2 7.748 0.333 -4.208 1.00 22.44 H new ATOM 0 HA LEU A 2 6.555 -2.085 -3.270 1.00 11.12 H new ATOM 0 HB2 LEU A 2 5.370 -1.097 -5.567 1.00 54.15 H new ATOM 0 HB3 LEU A 2 6.620 -2.138 -6.220 1.00 54.15 H new ATOM 0 HG LEU A 2 5.693 -3.972 -4.690 1.00 54.01 H new ATOM 0 HD11 LEU A 2 3.329 -3.715 -4.042 1.00 53.54 H new ATOM 0 HD12 LEU A 2 4.372 -2.534 -3.216 1.00 53.54 H new ATOM 0 HD13 LEU A 2 3.367 -2.024 -4.593 1.00 53.54 H new ATOM 0 HD21 LEU A 2 3.909 -4.533 -6.296 1.00 61.35 H new ATOM 0 HD22 LEU A 2 3.969 -2.873 -6.935 1.00 61.35 H new ATOM 0 HD23 LEU A 2 5.376 -3.949 -7.116 1.00 61.35 H new ATOM 34 N THR A 3 8.525 -3.390 -4.419 1.00 14.11 N ATOM 35 CA THR A 3 9.833 -3.980 -4.670 1.00 4.21 C ATOM 36 C THR A 3 9.913 -4.563 -6.076 1.00 20.20 C ATOM 37 O THR A 3 8.897 -4.715 -6.754 1.00 14.42 O ATOM 38 CB THR A 3 10.156 -5.086 -3.648 1.00 62.32 C ATOM 39 OG1 THR A 3 11.559 -5.375 -3.665 1.00 74.03 O ATOM 40 CG2 THR A 3 9.369 -6.352 -3.954 1.00 0.40 C ATOM 0 H THR A 3 7.788 -4.067 -4.220 1.00 14.11 H new ATOM 0 HA THR A 3 10.565 -3.179 -4.570 1.00 4.21 H new ATOM 0 HB THR A 3 9.871 -4.730 -2.658 1.00 62.32 H new ATOM 0 HG1 THR A 3 11.756 -6.078 -3.011 1.00 74.03 H new ATOM 0 HG21 THR A 3 9.614 -7.119 -3.219 1.00 0.40 H new ATOM 0 HG22 THR A 3 8.301 -6.136 -3.912 1.00 0.40 H new ATOM 0 HG23 THR A 3 9.628 -6.709 -4.951 1.00 0.40 H new ATOM 48 N ARG A 4 11.127 -4.890 -6.508 1.00 54.12 N ATOM 49 CA ARG A 4 11.338 -5.457 -7.835 1.00 2.33 C ATOM 50 C ARG A 4 10.422 -6.655 -8.066 1.00 41.35 C ATOM 51 O ARG A 4 9.893 -7.253 -7.130 1.00 22.44 O ATOM 52 CB ARG A 4 12.799 -5.878 -8.006 1.00 0.44 C ATOM 53 CG ARG A 4 13.599 -4.950 -8.906 1.00 73.31 C ATOM 54 CD ARG A 4 14.492 -5.731 -9.857 1.00 25.32 C ATOM 55 NE ARG A 4 14.086 -5.567 -11.250 1.00 10.52 N ATOM 56 CZ ARG A 4 14.503 -6.354 -12.235 1.00 50.10 C ATOM 57 NH1 ARG A 4 15.334 -7.356 -11.981 1.00 52.52 N ATOM 58 NH2 ARG A 4 14.088 -6.140 -13.477 1.00 64.33 N ATOM 0 H ARG A 4 11.979 -4.772 -5.959 1.00 54.12 H new ATOM 0 HA ARG A 4 11.099 -4.691 -8.573 1.00 2.33 H new ATOM 0 HB2 ARG A 4 13.274 -5.918 -7.026 1.00 0.44 H new ATOM 0 HB3 ARG A 4 12.832 -6.887 -8.418 1.00 0.44 H new ATOM 0 HG2 ARG A 4 12.918 -4.320 -9.479 1.00 73.31 H new ATOM 0 HG3 ARG A 4 14.210 -4.285 -8.295 1.00 73.31 H new ATOM 0 HD2 ARG A 4 15.524 -5.400 -9.739 1.00 25.32 H new ATOM 0 HD3 ARG A 4 14.464 -6.788 -9.594 1.00 25.32 H new ATOM 0 HE ARG A 4 13.447 -4.806 -11.479 1.00 10.52 H new ATOM 0 HH11 ARG A 4 15.654 -7.524 -11.027 1.00 52.52 H new ATOM 0 HH12 ARG A 4 15.653 -7.959 -12.739 1.00 52.52 H new ATOM 0 HH21 ARG A 4 13.448 -5.371 -13.676 1.00 64.33 H new ATOM 0 HH22 ARG A 4 14.409 -6.745 -14.233 1.00 64.33 H new ATOM 72 N PRO A 5 10.229 -7.013 -9.344 1.00 75.43 N ATOM 73 CA PRO A 5 9.376 -8.142 -9.729 1.00 63.32 C ATOM 74 C PRO A 5 9.984 -9.486 -9.342 1.00 21.04 C ATOM 75 O PRO A 5 9.293 -10.365 -8.826 1.00 61.33 O ATOM 76 CB PRO A 5 9.286 -8.016 -11.252 1.00 41.40 C ATOM 77 CG PRO A 5 10.523 -7.285 -11.645 1.00 64.14 C ATOM 78 CD PRO A 5 10.827 -6.345 -10.512 1.00 2.11 C ATOM 0 HA PRO A 5 8.409 -8.111 -9.227 1.00 63.32 H new ATOM 0 HB2 PRO A 5 9.237 -8.995 -11.728 1.00 41.40 H new ATOM 0 HB3 PRO A 5 8.391 -7.470 -11.552 1.00 41.40 H new ATOM 0 HG2 PRO A 5 11.349 -7.977 -11.810 1.00 64.14 H new ATOM 0 HG3 PRO A 5 10.374 -6.738 -12.576 1.00 64.14 H new ATOM 0 HD2 PRO A 5 11.900 -6.201 -10.387 1.00 2.11 H new ATOM 0 HD3 PRO A 5 10.390 -5.360 -10.679 1.00 2.11 H new ATOM 86 N TYR A 6 11.280 -9.638 -9.592 1.00 74.21 N ATOM 87 CA TYR A 6 11.980 -10.876 -9.271 1.00 31.12 C ATOM 88 C TYR A 6 13.172 -10.607 -8.357 1.00 52.54 C ATOM 89 O TYR A 6 13.749 -9.518 -8.374 1.00 71.45 O ATOM 90 CB TYR A 6 12.451 -11.567 -10.551 1.00 72.45 C ATOM 91 CG TYR A 6 12.213 -13.061 -10.556 1.00 5.31 C ATOM 92 CD1 TYR A 6 10.951 -13.583 -10.809 1.00 42.11 C ATOM 93 CD2 TYR A 6 13.252 -13.950 -10.308 1.00 3.53 C ATOM 94 CE1 TYR A 6 10.730 -14.946 -10.813 1.00 71.43 C ATOM 95 CE2 TYR A 6 13.041 -15.315 -10.311 1.00 54.33 C ATOM 96 CZ TYR A 6 11.778 -15.808 -10.564 1.00 74.21 C ATOM 97 OH TYR A 6 11.562 -17.167 -10.569 1.00 34.22 O ATOM 0 H TYR A 6 11.867 -8.919 -10.016 1.00 74.21 H new ATOM 0 HA TYR A 6 11.284 -11.531 -8.747 1.00 31.12 H new ATOM 0 HB2 TYR A 6 11.937 -11.123 -11.404 1.00 72.45 H new ATOM 0 HB3 TYR A 6 13.516 -11.377 -10.686 1.00 72.45 H new ATOM 0 HD1 TYR A 6 10.129 -12.911 -11.006 1.00 42.11 H new ATOM 0 HD2 TYR A 6 14.242 -13.567 -10.109 1.00 3.53 H new ATOM 0 HE1 TYR A 6 9.742 -15.335 -11.010 1.00 71.43 H new ATOM 0 HE2 TYR A 6 13.860 -15.992 -10.116 1.00 54.33 H new ATOM 0 HH TYR A 6 12.403 -17.633 -10.377 1.00 34.22 H new ATOM 107 N LEU A 7 13.536 -11.605 -7.561 1.00 33.33 N ATOM 108 CA LEU A 7 14.660 -11.478 -6.639 1.00 73.44 C ATOM 109 C LEU A 7 15.985 -11.478 -7.394 1.00 62.42 C ATOM 110 O LEU A 7 16.155 -12.206 -8.372 1.00 14.22 O ATOM 111 CB LEU A 7 14.640 -12.619 -5.620 1.00 43.30 C ATOM 112 CG LEU A 7 14.712 -14.034 -6.195 1.00 10.14 C ATOM 113 CD1 LEU A 7 15.838 -14.819 -5.540 1.00 34.42 C ATOM 114 CD2 LEU A 7 13.382 -14.751 -6.013 1.00 24.44 C ATOM 0 H LEU A 7 13.070 -12.512 -7.535 1.00 33.33 H new ATOM 0 HA LEU A 7 14.562 -10.528 -6.113 1.00 73.44 H new ATOM 0 HB2 LEU A 7 15.478 -12.483 -4.936 1.00 43.30 H new ATOM 0 HB3 LEU A 7 13.729 -12.535 -5.028 1.00 43.30 H new ATOM 0 HG LEU A 7 14.920 -13.963 -7.263 1.00 10.14 H new ATOM 0 HD11 LEU A 7 15.874 -15.824 -5.961 1.00 34.42 H new ATOM 0 HD12 LEU A 7 16.787 -14.315 -5.722 1.00 34.42 H new ATOM 0 HD13 LEU A 7 15.661 -14.882 -4.466 1.00 34.42 H new ATOM 0 HD21 LEU A 7 13.451 -15.757 -6.428 1.00 24.44 H new ATOM 0 HD22 LEU A 7 13.144 -14.812 -4.951 1.00 24.44 H new ATOM 0 HD23 LEU A 7 12.597 -14.199 -6.530 1.00 24.44 H new ATOM 126 N GLY A 8 16.924 -10.658 -6.932 1.00 31.12 N ATOM 127 CA GLY A 8 18.223 -10.580 -7.574 1.00 21.53 C ATOM 128 C GLY A 8 19.362 -10.863 -6.614 1.00 11.41 C ATOM 129 O GLY A 8 20.388 -10.183 -6.640 1.00 63.21 O ATOM 0 H GLY A 8 16.808 -10.046 -6.124 1.00 31.12 H new ATOM 0 HA2 GLY A 8 18.261 -11.292 -8.398 1.00 21.53 H new ATOM 0 HA3 GLY A 8 18.353 -9.587 -8.005 1.00 21.53 H new ATOM 133 N PHE A 9 19.181 -11.867 -5.763 1.00 10.14 N ATOM 134 CA PHE A 9 20.201 -12.236 -4.788 1.00 12.33 C ATOM 135 C PHE A 9 20.181 -13.738 -4.521 1.00 74.14 C ATOM 136 O PHE A 9 19.226 -14.429 -4.877 1.00 61.52 O ATOM 137 CB PHE A 9 19.986 -11.472 -3.480 1.00 2.45 C ATOM 138 CG PHE A 9 18.759 -11.903 -2.728 1.00 42.50 C ATOM 139 CD1 PHE A 9 17.495 -11.644 -3.233 1.00 0.34 C ATOM 140 CD2 PHE A 9 18.870 -12.566 -1.517 1.00 0.04 C ATOM 141 CE1 PHE A 9 16.364 -12.039 -2.544 1.00 32.13 C ATOM 142 CE2 PHE A 9 17.743 -12.964 -0.824 1.00 35.24 C ATOM 143 CZ PHE A 9 16.488 -12.699 -1.337 1.00 71.41 C ATOM 0 H PHE A 9 18.338 -12.440 -5.729 1.00 10.14 H new ATOM 0 HA PHE A 9 21.175 -11.971 -5.201 1.00 12.33 H new ATOM 0 HB2 PHE A 9 20.859 -11.607 -2.842 1.00 2.45 H new ATOM 0 HB3 PHE A 9 19.913 -10.407 -3.699 1.00 2.45 H new ATOM 0 HD1 PHE A 9 17.392 -11.127 -4.176 1.00 0.34 H new ATOM 0 HD2 PHE A 9 19.848 -12.774 -1.110 1.00 0.04 H new ATOM 0 HE1 PHE A 9 15.384 -11.832 -2.949 1.00 32.13 H new ATOM 0 HE2 PHE A 9 17.843 -13.482 0.118 1.00 35.24 H new ATOM 0 HZ PHE A 9 15.606 -13.007 -0.796 1.00 71.41 H new ATOM 153 N ARG A 10 21.241 -14.236 -3.894 1.00 30.11 N ATOM 154 CA ARG A 10 21.347 -15.656 -3.581 1.00 74.23 C ATOM 155 C ARG A 10 21.325 -15.884 -2.073 1.00 0.23 C ATOM 156 O ARG A 10 21.522 -14.953 -1.291 1.00 34.41 O ATOM 157 CB ARG A 10 22.630 -16.237 -4.177 1.00 62.22 C ATOM 158 CG ARG A 10 22.386 -17.200 -5.328 1.00 21.24 C ATOM 159 CD ARG A 10 23.589 -18.099 -5.566 1.00 62.14 C ATOM 160 NE ARG A 10 24.277 -17.774 -6.813 1.00 53.51 N ATOM 161 CZ ARG A 10 25.348 -18.425 -7.254 1.00 14.45 C ATOM 162 NH1 ARG A 10 25.850 -19.431 -6.552 1.00 63.33 N ATOM 163 NH2 ARG A 10 25.917 -18.069 -8.398 1.00 25.21 N ATOM 0 H ARG A 10 22.039 -13.677 -3.592 1.00 30.11 H new ATOM 0 HA ARG A 10 20.488 -16.164 -4.020 1.00 74.23 H new ATOM 0 HB2 ARG A 10 23.261 -15.420 -4.526 1.00 62.22 H new ATOM 0 HB3 ARG A 10 23.183 -16.754 -3.393 1.00 62.22 H new ATOM 0 HG2 ARG A 10 21.510 -17.812 -5.113 1.00 21.24 H new ATOM 0 HG3 ARG A 10 22.166 -16.637 -6.235 1.00 21.24 H new ATOM 0 HD2 ARG A 10 24.285 -18.002 -4.732 1.00 62.14 H new ATOM 0 HD3 ARG A 10 23.265 -19.139 -5.591 1.00 62.14 H new ATOM 0 HE ARG A 10 23.915 -17.005 -7.376 1.00 53.51 H new ATOM 0 HH11 ARG A 10 25.414 -19.706 -5.672 1.00 63.33 H new ATOM 0 HH12 ARG A 10 26.672 -19.930 -6.892 1.00 63.33 H new ATOM 0 HH21 ARG A 10 25.532 -17.295 -8.940 1.00 25.21 H new ATOM 0 HH22 ARG A 10 26.739 -18.569 -8.736 1.00 25.21 H new ATOM 177 N VAL A 11 21.084 -17.128 -1.670 1.00 42.34 N ATOM 178 CA VAL A 11 21.037 -17.478 -0.256 1.00 23.20 C ATOM 179 C VAL A 11 21.530 -18.903 -0.026 1.00 53.41 C ATOM 180 O VAL A 11 21.007 -19.852 -0.608 1.00 73.51 O ATOM 181 CB VAL A 11 19.611 -17.342 0.309 1.00 71.41 C ATOM 182 CG1 VAL A 11 19.249 -15.877 0.499 1.00 71.31 C ATOM 183 CG2 VAL A 11 18.609 -18.034 -0.603 1.00 51.34 C ATOM 0 H VAL A 11 20.918 -17.910 -2.304 1.00 42.34 H new ATOM 0 HA VAL A 11 21.694 -16.781 0.265 1.00 23.20 H new ATOM 0 HB VAL A 11 19.577 -17.829 1.284 1.00 71.41 H new ATOM 0 HG11 VAL A 11 18.238 -15.801 0.899 1.00 71.31 H new ATOM 0 HG12 VAL A 11 19.950 -15.416 1.195 1.00 71.31 H new ATOM 0 HG13 VAL A 11 19.299 -15.362 -0.461 1.00 71.31 H new ATOM 0 HG21 VAL A 11 17.606 -17.928 -0.189 1.00 51.34 H new ATOM 0 HG22 VAL A 11 18.643 -17.578 -1.593 1.00 51.34 H new ATOM 0 HG23 VAL A 11 18.859 -19.092 -0.682 1.00 51.34 H new ATOM 193 N ALA A 12 22.539 -19.044 0.827 1.00 40.41 N ATOM 194 CA ALA A 12 23.101 -20.353 1.136 1.00 12.51 C ATOM 195 C ALA A 12 22.732 -20.788 2.550 1.00 31.21 C ATOM 196 O ALA A 12 23.044 -20.102 3.523 1.00 0.13 O ATOM 197 CB ALA A 12 24.613 -20.332 0.966 1.00 54.44 C ATOM 0 H ALA A 12 22.984 -18.268 1.316 1.00 40.41 H new ATOM 0 HA ALA A 12 22.678 -21.076 0.439 1.00 12.51 H new ATOM 0 HB1 ALA A 12 25.019 -21.316 1.200 1.00 54.44 H new ATOM 0 HB2 ALA A 12 24.860 -20.073 -0.064 1.00 54.44 H new ATOM 0 HB3 ALA A 12 25.045 -19.592 1.640 1.00 54.44 H new ATOM 203 N VAL A 13 22.065 -21.933 2.657 1.00 71.14 N ATOM 204 CA VAL A 13 21.654 -22.461 3.952 1.00 14.42 C ATOM 205 C VAL A 13 22.775 -23.267 4.598 1.00 12.44 C ATOM 206 O VAL A 13 23.303 -24.204 4.002 1.00 34.43 O ATOM 207 CB VAL A 13 20.404 -23.351 3.824 1.00 33.43 C ATOM 208 CG1 VAL A 13 20.658 -24.493 2.852 1.00 45.23 C ATOM 209 CG2 VAL A 13 19.988 -23.884 5.187 1.00 30.22 C ATOM 0 H VAL A 13 21.798 -22.513 1.862 1.00 71.14 H new ATOM 0 HA VAL A 13 21.417 -21.604 4.583 1.00 14.42 H new ATOM 0 HB VAL A 13 19.588 -22.745 3.431 1.00 33.43 H new ATOM 0 HG11 VAL A 13 19.763 -25.111 2.775 1.00 45.23 H new ATOM 0 HG12 VAL A 13 20.905 -24.088 1.871 1.00 45.23 H new ATOM 0 HG13 VAL A 13 21.488 -25.100 3.213 1.00 45.23 H new ATOM 0 HG21 VAL A 13 19.103 -24.511 5.078 1.00 30.22 H new ATOM 0 HG22 VAL A 13 20.801 -24.474 5.610 1.00 30.22 H new ATOM 0 HG23 VAL A 13 19.762 -23.049 5.850 1.00 30.22 H new ATOM 219 N GLY A 14 23.134 -22.894 5.823 1.00 30.23 N ATOM 220 CA GLY A 14 24.191 -23.593 6.531 1.00 35.22 C ATOM 221 C GLY A 14 24.108 -23.402 8.033 1.00 53.34 C ATOM 222 O GLY A 14 23.057 -23.038 8.562 1.00 43.54 O ATOM 0 H GLY A 14 22.712 -22.121 6.337 1.00 30.23 H new ATOM 0 HA2 GLY A 14 24.137 -24.657 6.300 1.00 35.22 H new ATOM 0 HA3 GLY A 14 25.158 -23.238 6.176 1.00 35.22 H new ATOM 226 N ARG A 15 25.217 -23.649 8.721 1.00 1.12 N ATOM 227 CA ARG A 15 25.265 -23.504 10.171 1.00 34.32 C ATOM 228 C ARG A 15 26.450 -22.641 10.593 1.00 51.21 C ATOM 229 O ARG A 15 27.511 -22.678 9.970 1.00 70.43 O ATOM 230 CB ARG A 15 25.357 -24.877 10.839 1.00 30.42 C ATOM 231 CG ARG A 15 24.188 -25.793 10.514 1.00 42.13 C ATOM 232 CD ARG A 15 23.145 -25.780 11.620 1.00 3.24 C ATOM 233 NE ARG A 15 23.600 -26.495 12.810 1.00 43.32 N ATOM 234 CZ ARG A 15 22.823 -26.750 13.856 1.00 12.01 C ATOM 235 NH1 ARG A 15 21.558 -26.351 13.860 1.00 64.03 N ATOM 236 NH2 ARG A 15 23.310 -27.406 14.902 1.00 73.13 N ATOM 0 H ARG A 15 26.095 -23.951 8.298 1.00 1.12 H new ATOM 0 HA ARG A 15 24.347 -23.012 10.492 1.00 34.32 H new ATOM 0 HB2 ARG A 15 26.283 -25.361 10.529 1.00 30.42 H new ATOM 0 HB3 ARG A 15 25.413 -24.743 11.919 1.00 30.42 H new ATOM 0 HG2 ARG A 15 23.729 -25.480 9.576 1.00 42.13 H new ATOM 0 HG3 ARG A 15 24.551 -26.810 10.367 1.00 42.13 H new ATOM 0 HD2 ARG A 15 22.910 -24.749 11.884 1.00 3.24 H new ATOM 0 HD3 ARG A 15 22.224 -26.234 11.255 1.00 3.24 H new ATOM 0 HE ARG A 15 24.568 -26.816 12.839 1.00 43.32 H new ATOM 0 HH11 ARG A 15 21.180 -25.847 13.058 1.00 64.03 H new ATOM 0 HH12 ARG A 15 20.964 -26.548 14.665 1.00 64.03 H new ATOM 0 HH21 ARG A 15 24.282 -27.715 14.903 1.00 73.13 H new ATOM 0 HH22 ARG A 15 22.712 -27.601 15.705 1.00 73.13 H new ATOM 250 N ASP A 16 26.261 -21.864 11.654 1.00 42.23 N ATOM 251 CA ASP A 16 27.314 -20.991 12.159 1.00 24.14 C ATOM 252 C ASP A 16 28.099 -21.676 13.274 1.00 62.01 C ATOM 253 O ASP A 16 27.861 -22.842 13.589 1.00 52.15 O ATOM 254 CB ASP A 16 26.717 -19.679 12.671 1.00 64.20 C ATOM 255 CG ASP A 16 25.456 -19.895 13.484 1.00 22.30 C ATOM 256 OD1 ASP A 16 24.388 -20.117 12.875 1.00 1.45 O ATOM 257 OD2 ASP A 16 25.537 -19.844 14.729 1.00 44.11 O ATOM 0 H ASP A 16 25.389 -21.821 12.181 1.00 42.23 H new ATOM 0 HA ASP A 16 27.997 -20.774 11.338 1.00 24.14 H new ATOM 0 HB2 ASP A 16 27.456 -19.161 13.283 1.00 64.20 H new ATOM 0 HB3 ASP A 16 26.493 -19.030 11.824 1.00 64.20 H new ATOM 262 N SER A 17 29.037 -20.944 13.867 1.00 51.23 N ATOM 263 CA SER A 17 29.860 -21.482 14.943 1.00 65.21 C ATOM 264 C SER A 17 29.024 -21.730 16.195 1.00 44.02 C ATOM 265 O SER A 17 29.381 -22.551 17.040 1.00 14.11 O ATOM 266 CB SER A 17 31.008 -20.523 15.264 1.00 2.10 C ATOM 267 OG SER A 17 31.806 -20.281 14.118 1.00 25.14 O ATOM 0 H SER A 17 29.246 -19.977 13.620 1.00 51.23 H new ATOM 0 HA SER A 17 30.274 -22.434 14.609 1.00 65.21 H new ATOM 0 HB2 SER A 17 30.606 -19.581 15.636 1.00 2.10 H new ATOM 0 HB3 SER A 17 31.625 -20.942 16.059 1.00 2.10 H new ATOM 0 HG SER A 17 31.586 -19.401 13.746 1.00 25.14 H new ATOM 273 N SER A 18 27.910 -21.014 16.306 1.00 3.31 N ATOM 274 CA SER A 18 27.024 -21.152 17.456 1.00 43.10 C ATOM 275 C SER A 18 26.034 -22.293 17.245 1.00 64.52 C ATOM 276 O SER A 18 25.992 -23.246 18.023 1.00 45.34 O ATOM 277 CB SER A 18 26.268 -19.845 17.704 1.00 61.31 C ATOM 278 OG SER A 18 24.914 -20.095 18.038 1.00 72.31 O ATOM 0 H SER A 18 27.599 -20.332 15.614 1.00 3.31 H new ATOM 0 HA SER A 18 27.635 -21.381 18.329 1.00 43.10 H new ATOM 0 HB2 SER A 18 26.748 -19.291 18.510 1.00 61.31 H new ATOM 0 HB3 SER A 18 26.317 -19.218 16.813 1.00 61.31 H new ATOM 0 HG SER A 18 24.453 -19.244 18.193 1.00 72.31 H new ATOM 284 N GLY A 19 25.238 -22.190 16.185 1.00 12.52 N ATOM 285 CA GLY A 19 24.258 -23.219 15.890 1.00 44.24 C ATOM 286 C GLY A 19 22.835 -22.702 15.959 1.00 21.04 C ATOM 287 O GLY A 19 22.029 -23.189 16.753 1.00 1.13 O ATOM 0 H GLY A 19 25.254 -21.412 15.525 1.00 12.52 H new ATOM 0 HA2 GLY A 19 24.447 -23.622 14.895 1.00 44.24 H new ATOM 0 HA3 GLY A 19 24.377 -24.042 16.595 1.00 44.24 H new ATOM 291 N CYS A 20 22.525 -21.713 15.129 1.00 43.12 N ATOM 292 CA CYS A 20 21.190 -21.128 15.101 1.00 15.43 C ATOM 293 C CYS A 20 20.498 -21.414 13.773 1.00 75.43 C ATOM 294 O CYS A 20 19.283 -21.253 13.644 1.00 23.15 O ATOM 295 CB CYS A 20 21.267 -19.618 15.335 1.00 74.13 C ATOM 296 SG CYS A 20 21.841 -18.678 13.901 1.00 4.11 S ATOM 0 H CYS A 20 23.180 -21.299 14.466 1.00 43.12 H new ATOM 0 HA CYS A 20 20.605 -21.583 15.900 1.00 15.43 H new ATOM 0 HB2 CYS A 20 20.280 -19.255 15.623 1.00 74.13 H new ATOM 0 HB3 CYS A 20 21.935 -19.425 16.174 1.00 74.13 H new ATOM 0 HG CYS A 20 22.903 -19.243 13.408 1.00 4.11 H new ATOM 302 N THR A 21 21.278 -21.839 12.784 1.00 24.42 N ATOM 303 CA THR A 21 20.742 -22.146 11.464 1.00 12.13 C ATOM 304 C THR A 21 20.188 -20.895 10.792 1.00 73.00 C ATOM 305 O THR A 21 19.030 -20.528 10.996 1.00 31.22 O ATOM 306 CB THR A 21 19.629 -23.208 11.543 1.00 63.31 C ATOM 307 OG1 THR A 21 19.800 -24.010 12.717 1.00 72.21 O ATOM 308 CG2 THR A 21 19.642 -24.098 10.309 1.00 42.32 C ATOM 0 H THR A 21 22.285 -21.979 12.873 1.00 24.42 H new ATOM 0 HA THR A 21 21.568 -22.539 10.871 1.00 12.13 H new ATOM 0 HB THR A 21 18.669 -22.694 11.591 1.00 63.31 H new ATOM 0 HG1 THR A 21 19.088 -24.682 12.761 1.00 72.21 H new ATOM 0 HG21 THR A 21 18.848 -24.840 10.387 1.00 42.32 H new ATOM 0 HG22 THR A 21 19.483 -23.489 9.419 1.00 42.32 H new ATOM 0 HG23 THR A 21 20.605 -24.604 10.235 1.00 42.32 H new ATOM 316 N THR A 22 21.021 -20.242 9.988 1.00 61.45 N ATOM 317 CA THR A 22 20.615 -19.032 9.285 1.00 15.11 C ATOM 318 C THR A 22 21.213 -18.982 7.884 1.00 2.11 C ATOM 319 O THR A 22 22.211 -19.646 7.600 1.00 2.42 O ATOM 320 CB THR A 22 21.035 -17.767 10.056 1.00 3.34 C ATOM 321 OG1 THR A 22 20.844 -16.608 9.237 1.00 4.45 O ATOM 322 CG2 THR A 22 22.491 -17.855 10.488 1.00 44.04 C ATOM 0 H THR A 22 21.982 -20.532 9.808 1.00 61.45 H new ATOM 0 HA THR A 22 19.528 -19.060 9.211 1.00 15.11 H new ATOM 0 HB THR A 22 20.412 -17.688 10.947 1.00 3.34 H new ATOM 0 HG1 THR A 22 21.639 -16.464 8.683 1.00 4.45 H new ATOM 0 HG21 THR A 22 22.765 -16.950 11.031 1.00 44.04 H new ATOM 0 HG22 THR A 22 22.627 -18.721 11.135 1.00 44.04 H new ATOM 0 HG23 THR A 22 23.126 -17.956 9.608 1.00 44.04 H new ATOM 330 N LEU A 23 20.599 -18.191 7.011 1.00 12.04 N ATOM 331 CA LEU A 23 21.072 -18.053 5.638 1.00 21.43 C ATOM 332 C LEU A 23 21.890 -16.777 5.469 1.00 13.14 C ATOM 333 O LEU A 23 21.646 -15.778 6.145 1.00 13.44 O ATOM 334 CB LEU A 23 19.889 -18.047 4.669 1.00 61.05 C ATOM 335 CG LEU A 23 19.294 -19.413 4.327 1.00 34.41 C ATOM 336 CD1 LEU A 23 18.663 -20.043 5.559 1.00 75.50 C ATOM 337 CD2 LEU A 23 18.270 -19.285 3.208 1.00 4.31 C ATOM 0 H LEU A 23 19.772 -17.635 7.230 1.00 12.04 H new ATOM 0 HA LEU A 23 21.713 -18.905 5.413 1.00 21.43 H new ATOM 0 HB2 LEU A 23 19.101 -17.426 5.094 1.00 61.05 H new ATOM 0 HB3 LEU A 23 20.207 -17.569 3.742 1.00 61.05 H new ATOM 0 HG LEU A 23 20.099 -20.062 3.983 1.00 34.41 H new ATOM 0 HD11 LEU A 23 18.245 -21.015 5.297 1.00 75.50 H new ATOM 0 HD12 LEU A 23 19.422 -20.171 6.331 1.00 75.50 H new ATOM 0 HD13 LEU A 23 17.870 -19.395 5.933 1.00 75.50 H new ATOM 0 HD21 LEU A 23 17.857 -20.267 2.978 1.00 4.31 H new ATOM 0 HD22 LEU A 23 17.467 -18.619 3.524 1.00 4.31 H new ATOM 0 HD23 LEU A 23 18.751 -18.877 2.319 1.00 4.31 H new ATOM 349 N SER A 24 22.860 -16.817 4.561 1.00 34.35 N ATOM 350 CA SER A 24 23.715 -15.664 4.304 1.00 34.34 C ATOM 351 C SER A 24 23.478 -15.115 2.901 1.00 43.02 C ATOM 352 O SER A 24 23.477 -15.862 1.922 1.00 21.42 O ATOM 353 CB SER A 24 25.186 -16.046 4.474 1.00 63.21 C ATOM 354 OG SER A 24 25.329 -17.438 4.699 1.00 4.24 O ATOM 0 H SER A 24 23.073 -17.636 3.991 1.00 34.35 H new ATOM 0 HA SER A 24 23.464 -14.887 5.026 1.00 34.34 H new ATOM 0 HB2 SER A 24 25.745 -15.759 3.583 1.00 63.21 H new ATOM 0 HB3 SER A 24 25.614 -15.493 5.310 1.00 63.21 H new ATOM 0 HG SER A 24 26.279 -17.657 4.803 1.00 4.24 H new ATOM 360 N ILE A 25 23.279 -13.804 2.811 1.00 33.41 N ATOM 361 CA ILE A 25 23.042 -13.154 1.528 1.00 25.22 C ATOM 362 C ILE A 25 24.354 -12.890 0.796 1.00 73.42 C ATOM 363 O ILE A 25 25.173 -12.087 1.240 1.00 13.43 O ATOM 364 CB ILE A 25 22.288 -11.823 1.702 1.00 11.02 C ATOM 365 CG1 ILE A 25 21.021 -12.035 2.533 1.00 12.34 C ATOM 366 CG2 ILE A 25 21.944 -11.228 0.345 1.00 2.40 C ATOM 367 CD1 ILE A 25 20.003 -12.932 1.865 1.00 14.31 C ATOM 0 H ILE A 25 23.277 -13.171 3.611 1.00 33.41 H new ATOM 0 HA ILE A 25 22.429 -13.835 0.937 1.00 25.22 H new ATOM 0 HB ILE A 25 22.934 -11.122 2.231 1.00 11.02 H new ATOM 0 HG12 ILE A 25 21.296 -12.465 3.496 1.00 12.34 H new ATOM 0 HG13 ILE A 25 20.563 -11.067 2.735 1.00 12.34 H new ATOM 0 HG21 ILE A 25 21.411 -10.287 0.485 1.00 2.40 H new ATOM 0 HG22 ILE A 25 22.861 -11.046 -0.215 1.00 2.40 H new ATOM 0 HG23 ILE A 25 21.313 -11.924 -0.208 1.00 2.40 H new ATOM 0 HD11 ILE A 25 19.131 -13.037 2.511 1.00 14.31 H new ATOM 0 HD12 ILE A 25 19.699 -12.493 0.915 1.00 14.31 H new ATOM 0 HD13 ILE A 25 20.444 -13.913 1.687 1.00 14.31 H new ATOM 379 N GLN A 26 24.544 -13.572 -0.329 1.00 42.34 N ATOM 380 CA GLN A 26 25.756 -13.410 -1.124 1.00 51.31 C ATOM 381 C GLN A 26 25.555 -12.364 -2.216 1.00 1.22 C ATOM 382 O GLN A 26 26.285 -12.340 -3.206 1.00 51.51 O ATOM 383 CB GLN A 26 26.163 -14.745 -1.749 1.00 43.03 C ATOM 384 CG GLN A 26 26.688 -15.754 -0.741 1.00 21.12 C ATOM 385 CD GLN A 26 26.046 -17.119 -0.893 1.00 0.14 C ATOM 386 OE1 GLN A 26 26.735 -18.132 -1.012 1.00 63.23 O ATOM 387 NE2 GLN A 26 24.719 -17.153 -0.888 1.00 54.24 N ATOM 0 H GLN A 26 23.875 -14.241 -0.710 1.00 42.34 H new ATOM 0 HA GLN A 26 26.552 -13.069 -0.462 1.00 51.31 H new ATOM 0 HB2 GLN A 26 25.303 -15.173 -2.264 1.00 43.03 H new ATOM 0 HB3 GLN A 26 26.929 -14.565 -2.503 1.00 43.03 H new ATOM 0 HG2 GLN A 26 27.768 -15.850 -0.857 1.00 21.12 H new ATOM 0 HG3 GLN A 26 26.507 -15.382 0.268 1.00 21.12 H new ATOM 0 HE21 GLN A 26 24.187 -16.289 -0.787 1.00 54.24 H new ATOM 0 HE22 GLN A 26 24.231 -18.044 -0.985 1.00 54.24 H new ATOM 396 N GLU A 27 24.561 -11.502 -2.027 1.00 54.02 N ATOM 397 CA GLU A 27 24.264 -10.455 -2.997 1.00 50.35 C ATOM 398 C GLU A 27 23.827 -9.172 -2.297 1.00 15.34 C ATOM 399 O GLU A 27 23.901 -9.063 -1.073 1.00 22.14 O ATOM 400 CB GLU A 27 23.172 -10.919 -3.964 1.00 2.50 C ATOM 401 CG GLU A 27 23.631 -10.991 -5.411 1.00 32.23 C ATOM 402 CD GLU A 27 23.575 -9.646 -6.109 1.00 35.22 C ATOM 403 OE1 GLU A 27 24.247 -8.705 -5.637 1.00 73.11 O ATOM 404 OE2 GLU A 27 22.859 -9.534 -7.126 1.00 32.42 O ATOM 0 H GLU A 27 23.948 -11.508 -1.212 1.00 54.02 H new ATOM 0 HA GLU A 27 25.174 -10.249 -3.560 1.00 50.35 H new ATOM 0 HB2 GLU A 27 22.818 -11.902 -3.654 1.00 2.50 H new ATOM 0 HB3 GLU A 27 22.323 -10.238 -3.894 1.00 2.50 H new ATOM 0 HG2 GLU A 27 24.652 -11.372 -5.446 1.00 32.23 H new ATOM 0 HG3 GLU A 27 23.007 -11.703 -5.951 1.00 32.23 H new ATOM 411 N VAL A 28 23.370 -8.201 -3.082 1.00 61.31 N ATOM 412 CA VAL A 28 22.920 -6.926 -2.538 1.00 51.43 C ATOM 413 C VAL A 28 21.482 -6.629 -2.950 1.00 64.12 C ATOM 414 O VAL A 28 21.222 -5.696 -3.710 1.00 52.50 O ATOM 415 CB VAL A 28 23.824 -5.768 -3.001 1.00 42.21 C ATOM 416 CG1 VAL A 28 23.713 -4.589 -2.046 1.00 50.25 C ATOM 417 CG2 VAL A 28 25.267 -6.234 -3.120 1.00 23.03 C ATOM 0 H VAL A 28 23.302 -8.274 -4.097 1.00 61.31 H new ATOM 0 HA VAL A 28 22.974 -7.008 -1.452 1.00 51.43 H new ATOM 0 HB VAL A 28 23.490 -5.440 -3.985 1.00 42.21 H new ATOM 0 HG11 VAL A 28 24.359 -3.781 -2.389 1.00 50.25 H new ATOM 0 HG12 VAL A 28 22.680 -4.241 -2.016 1.00 50.25 H new ATOM 0 HG13 VAL A 28 24.020 -4.899 -1.047 1.00 50.25 H new ATOM 0 HG21 VAL A 28 25.892 -5.403 -3.448 1.00 23.03 H new ATOM 0 HG22 VAL A 28 25.616 -6.589 -2.150 1.00 23.03 H new ATOM 0 HG23 VAL A 28 25.329 -7.044 -3.847 1.00 23.03 H new ATOM 427 N THR A 29 20.550 -7.430 -2.443 1.00 61.15 N ATOM 428 CA THR A 29 19.138 -7.255 -2.759 1.00 0.43 C ATOM 429 C THR A 29 18.611 -5.935 -2.206 1.00 21.30 C ATOM 430 O THR A 29 17.667 -5.359 -2.746 1.00 21.31 O ATOM 431 CB THR A 29 18.289 -8.410 -2.196 1.00 11.24 C ATOM 432 OG1 THR A 29 16.897 -8.126 -2.372 1.00 54.41 O ATOM 433 CG2 THR A 29 18.584 -8.629 -0.719 1.00 50.34 C ATOM 0 H THR A 29 20.748 -8.206 -1.812 1.00 61.15 H new ATOM 0 HA THR A 29 19.055 -7.250 -3.846 1.00 0.43 H new ATOM 0 HB THR A 29 18.546 -9.319 -2.740 1.00 11.24 H new ATOM 0 HG1 THR A 29 16.364 -8.866 -2.013 1.00 54.41 H new ATOM 0 HG21 THR A 29 17.973 -9.450 -0.344 1.00 50.34 H new ATOM 0 HG22 THR A 29 19.638 -8.874 -0.591 1.00 50.34 H new ATOM 0 HG23 THR A 29 18.353 -7.720 -0.163 1.00 50.34 H new ATOM 441 N GLN A 30 19.228 -5.462 -1.128 1.00 35.54 N ATOM 442 CA GLN A 30 18.819 -4.210 -0.502 1.00 62.14 C ATOM 443 C GLN A 30 18.759 -3.084 -1.529 1.00 2.53 C ATOM 444 O GLN A 30 17.837 -2.267 -1.518 1.00 60.31 O ATOM 445 CB GLN A 30 19.785 -3.839 0.624 1.00 64.01 C ATOM 446 CG GLN A 30 19.282 -4.219 2.007 1.00 23.41 C ATOM 447 CD GLN A 30 18.173 -3.309 2.495 1.00 33.12 C ATOM 448 OE1 GLN A 30 17.357 -2.828 1.708 1.00 44.21 O ATOM 449 NE2 GLN A 30 18.136 -3.068 3.800 1.00 14.24 N ATOM 0 H GLN A 30 20.012 -5.926 -0.670 1.00 35.54 H new ATOM 0 HA GLN A 30 17.822 -4.350 -0.084 1.00 62.14 H new ATOM 0 HB2 GLN A 30 20.742 -4.330 0.447 1.00 64.01 H new ATOM 0 HB3 GLN A 30 19.968 -2.765 0.595 1.00 64.01 H new ATOM 0 HG2 GLN A 30 18.921 -5.247 1.988 1.00 23.41 H new ATOM 0 HG3 GLN A 30 20.112 -4.185 2.713 1.00 23.41 H new ATOM 0 HE21 GLN A 30 18.832 -3.488 4.416 1.00 14.24 H new ATOM 0 HE22 GLN A 30 17.411 -2.463 4.187 1.00 14.24 H new ATOM 458 N THR A 31 19.749 -3.044 -2.415 1.00 40.14 N ATOM 459 CA THR A 31 19.810 -2.017 -3.448 1.00 11.25 C ATOM 460 C THR A 31 18.762 -2.260 -4.527 1.00 53.34 C ATOM 461 O THR A 31 19.086 -2.687 -5.636 1.00 33.34 O ATOM 462 CB THR A 31 21.203 -1.961 -4.103 1.00 74.12 C ATOM 463 OG1 THR A 31 21.585 -3.266 -4.553 1.00 11.21 O ATOM 464 CG2 THR A 31 22.240 -1.432 -3.125 1.00 5.00 C ATOM 0 H THR A 31 20.520 -3.711 -2.438 1.00 40.14 H new ATOM 0 HA THR A 31 19.609 -1.064 -2.959 1.00 11.25 H new ATOM 0 HB THR A 31 21.153 -1.283 -4.955 1.00 74.12 H new ATOM 0 HG1 THR A 31 21.019 -3.940 -4.121 1.00 11.21 H new ATOM 0 HG21 THR A 31 23.216 -1.402 -3.610 1.00 5.00 H new ATOM 0 HG22 THR A 31 21.961 -0.427 -2.807 1.00 5.00 H new ATOM 0 HG23 THR A 31 22.288 -2.087 -2.255 1.00 5.00 H new ATOM 472 N TYR A 32 17.505 -1.984 -4.198 1.00 11.02 N ATOM 473 CA TYR A 32 16.408 -2.174 -5.140 1.00 23.43 C ATOM 474 C TYR A 32 15.184 -1.367 -4.721 1.00 12.42 C ATOM 475 O TYR A 32 14.925 -1.178 -3.531 1.00 64.54 O ATOM 476 CB TYR A 32 16.045 -3.657 -5.239 1.00 64.03 C ATOM 477 CG TYR A 32 16.847 -4.408 -6.278 1.00 24.32 C ATOM 478 CD1 TYR A 32 16.945 -3.939 -7.582 1.00 54.20 C ATOM 479 CD2 TYR A 32 17.507 -5.588 -5.955 1.00 41.34 C ATOM 480 CE1 TYR A 32 17.676 -4.622 -8.535 1.00 33.15 C ATOM 481 CE2 TYR A 32 18.242 -6.277 -6.901 1.00 14.21 C ATOM 482 CZ TYR A 32 18.323 -5.790 -8.189 1.00 33.20 C ATOM 483 OH TYR A 32 19.052 -6.474 -9.134 1.00 62.51 O ATOM 0 H TYR A 32 17.220 -1.628 -3.286 1.00 11.02 H new ATOM 0 HA TYR A 32 16.737 -1.820 -6.117 1.00 23.43 H new ATOM 0 HB2 TYR A 32 16.197 -4.125 -4.267 1.00 64.03 H new ATOM 0 HB3 TYR A 32 14.985 -3.748 -5.475 1.00 64.03 H new ATOM 0 HD1 TYR A 32 16.441 -3.024 -7.856 1.00 54.20 H new ATOM 0 HD2 TYR A 32 17.444 -5.973 -4.948 1.00 41.34 H new ATOM 0 HE1 TYR A 32 17.740 -4.244 -9.545 1.00 33.15 H new ATOM 0 HE2 TYR A 32 18.750 -7.192 -6.633 1.00 14.21 H new ATOM 0 HH TYR A 32 19.445 -7.274 -8.728 1.00 62.51 H new ATOM 493 N THR A 33 14.431 -0.891 -5.708 1.00 11.42 N ATOM 494 CA THR A 33 13.234 -0.103 -5.444 1.00 14.40 C ATOM 495 C THR A 33 12.343 -0.025 -6.679 1.00 21.32 C ATOM 496 O THR A 33 12.586 -0.706 -7.675 1.00 12.53 O ATOM 497 CB THR A 33 13.590 1.326 -4.992 1.00 12.13 C ATOM 498 OG1 THR A 33 14.995 1.423 -4.736 1.00 44.14 O ATOM 499 CG2 THR A 33 12.814 1.706 -3.739 1.00 44.43 C ATOM 0 H THR A 33 14.629 -1.038 -6.698 1.00 11.42 H new ATOM 0 HA THR A 33 12.695 -0.607 -4.641 1.00 14.40 H new ATOM 0 HB THR A 33 13.318 2.015 -5.792 1.00 12.13 H new ATOM 0 HG1 THR A 33 15.213 2.335 -4.451 1.00 44.14 H new ATOM 0 HG21 THR A 33 13.082 2.719 -3.438 1.00 44.43 H new ATOM 0 HG22 THR A 33 11.745 1.659 -3.945 1.00 44.43 H new ATOM 0 HG23 THR A 33 13.059 1.012 -2.935 1.00 44.43 H new ATOM 507 N GLY A 34 11.310 0.809 -6.607 1.00 3.20 N ATOM 508 CA GLY A 34 10.399 0.960 -7.727 1.00 4.25 C ATOM 509 C GLY A 34 9.240 1.885 -7.410 1.00 65.44 C ATOM 510 O GLY A 34 9.230 2.545 -6.371 1.00 74.43 O ATOM 0 H GLY A 34 11.088 1.383 -5.793 1.00 3.20 H new ATOM 0 HA2 GLY A 34 10.946 1.348 -8.586 1.00 4.25 H new ATOM 0 HA3 GLY A 34 10.012 -0.019 -8.011 1.00 4.25 H new ATOM 514 N SER A 35 8.263 1.934 -8.309 1.00 53.14 N ATOM 515 CA SER A 35 7.096 2.789 -8.124 1.00 1.13 C ATOM 516 C SER A 35 7.477 4.261 -8.246 1.00 54.54 C ATOM 517 O SER A 35 7.198 4.903 -9.258 1.00 40.41 O ATOM 518 CB SER A 35 6.458 2.528 -6.758 1.00 20.30 C ATOM 519 OG SER A 35 5.160 1.977 -6.899 1.00 11.14 O ATOM 0 H SER A 35 8.256 1.392 -9.173 1.00 53.14 H new ATOM 0 HA SER A 35 6.375 2.552 -8.906 1.00 1.13 H new ATOM 0 HB2 SER A 35 7.086 1.846 -6.184 1.00 20.30 H new ATOM 0 HB3 SER A 35 6.402 3.460 -6.195 1.00 20.30 H new ATOM 0 HG SER A 35 4.774 1.818 -6.012 1.00 11.14 H new ATOM 525 N ASN A 36 8.115 4.790 -7.207 1.00 65.44 N ATOM 526 CA ASN A 36 8.534 6.186 -7.197 1.00 45.54 C ATOM 527 C ASN A 36 9.389 6.489 -5.971 1.00 5.14 C ATOM 528 O ASN A 36 9.221 7.521 -5.323 1.00 11.23 O ATOM 529 CB ASN A 36 7.313 7.107 -7.221 1.00 53.21 C ATOM 530 CG ASN A 36 7.523 8.324 -8.102 1.00 34.23 C ATOM 531 OD1 ASN A 36 8.197 8.251 -9.129 1.00 51.32 O ATOM 532 ND2 ASN A 36 6.944 9.450 -7.702 1.00 4.42 N ATOM 0 H ASN A 36 8.353 4.272 -6.361 1.00 65.44 H new ATOM 0 HA ASN A 36 9.134 6.365 -8.089 1.00 45.54 H new ATOM 0 HB2 ASN A 36 6.447 6.549 -7.578 1.00 53.21 H new ATOM 0 HB3 ASN A 36 7.086 7.432 -6.205 1.00 53.21 H new ATOM 0 HD21 ASN A 36 7.049 10.301 -8.254 1.00 4.42 H new ATOM 0 HD22 ASN A 36 6.394 9.463 -6.843 1.00 4.42 H new ATOM 539 N GLY A 37 10.309 5.581 -5.658 1.00 31.11 N ATOM 540 CA GLY A 37 11.177 5.769 -4.510 1.00 62.14 C ATOM 541 C GLY A 37 12.633 5.919 -4.904 1.00 4.24 C ATOM 542 O GLY A 37 13.452 6.384 -4.112 1.00 45.43 O ATOM 0 H GLY A 37 10.469 4.719 -6.179 1.00 31.11 H new ATOM 0 HA2 GLY A 37 10.860 6.654 -3.959 1.00 62.14 H new ATOM 0 HA3 GLY A 37 11.072 4.919 -3.835 1.00 62.14 H new ATOM 546 N GLY A 38 12.958 5.522 -6.131 1.00 13.44 N ATOM 547 CA GLY A 38 14.326 5.622 -6.605 1.00 75.31 C ATOM 548 C GLY A 38 14.594 4.719 -7.793 1.00 22.03 C ATOM 549 O GLY A 38 15.520 4.960 -8.567 1.00 31.30 O ATOM 0 H GLY A 38 12.298 5.133 -6.805 1.00 13.44 H new ATOM 0 HA2 GLY A 38 14.537 6.655 -6.882 1.00 75.31 H new ATOM 0 HA3 GLY A 38 15.008 5.364 -5.795 1.00 75.31 H new ATOM 553 N ALA A 39 13.784 3.675 -7.936 1.00 52.51 N ATOM 554 CA ALA A 39 13.939 2.734 -9.038 1.00 35.21 C ATOM 555 C ALA A 39 15.305 2.059 -8.996 1.00 4.15 C ATOM 556 O ALA A 39 16.119 2.226 -9.905 1.00 31.35 O ATOM 557 CB ALA A 39 13.738 3.442 -10.370 1.00 4.04 C ATOM 0 H ALA A 39 13.014 3.460 -7.303 1.00 52.51 H new ATOM 0 HA ALA A 39 13.178 1.961 -8.932 1.00 35.21 H new ATOM 0 HB1 ALA A 39 13.857 2.727 -11.184 1.00 4.04 H new ATOM 0 HB2 ALA A 39 12.736 3.870 -10.407 1.00 4.04 H new ATOM 0 HB3 ALA A 39 14.477 4.237 -10.475 1.00 4.04 H new ATOM 563 N ASP A 40 15.552 1.298 -7.935 1.00 14.21 N ATOM 564 CA ASP A 40 16.821 0.598 -7.774 1.00 74.24 C ATOM 565 C ASP A 40 17.971 1.587 -7.619 1.00 44.01 C ATOM 566 O ASP A 40 18.330 2.292 -8.563 1.00 54.42 O ATOM 567 CB ASP A 40 17.077 -0.318 -8.972 1.00 61.12 C ATOM 568 CG ASP A 40 15.803 -0.941 -9.508 1.00 21.53 C ATOM 569 OD1 ASP A 40 14.951 -1.348 -8.689 1.00 44.43 O ATOM 570 OD2 ASP A 40 15.657 -1.022 -10.745 1.00 64.41 O ATOM 0 H ASP A 40 14.890 1.150 -7.173 1.00 14.21 H new ATOM 0 HA ASP A 40 16.762 -0.007 -6.869 1.00 74.24 H new ATOM 0 HB2 ASP A 40 17.560 0.253 -9.765 1.00 61.12 H new ATOM 0 HB3 ASP A 40 17.769 -1.108 -8.680 1.00 61.12 H new ATOM 575 N LEU A 41 18.546 1.635 -6.422 1.00 64.54 N ATOM 576 CA LEU A 41 19.657 2.538 -6.142 1.00 53.44 C ATOM 577 C LEU A 41 20.247 2.264 -4.763 1.00 43.40 C ATOM 578 O LEU A 41 19.524 1.945 -3.820 1.00 23.40 O ATOM 579 CB LEU A 41 19.191 3.993 -6.231 1.00 32.24 C ATOM 580 CG LEU A 41 20.132 4.957 -6.953 1.00 65.43 C ATOM 581 CD1 LEU A 41 19.442 5.573 -8.160 1.00 63.33 C ATOM 582 CD2 LEU A 41 20.618 6.041 -6.003 1.00 12.32 C ATOM 0 H LEU A 41 18.261 1.059 -5.630 1.00 64.54 H new ATOM 0 HA LEU A 41 20.432 2.365 -6.889 1.00 53.44 H new ATOM 0 HB2 LEU A 41 18.225 4.014 -6.736 1.00 32.24 H new ATOM 0 HB3 LEU A 41 19.030 4.364 -5.219 1.00 32.24 H new ATOM 0 HG LEU A 41 20.998 4.395 -7.303 1.00 65.43 H new ATOM 0 HD11 LEU A 41 20.127 6.256 -8.661 1.00 63.33 H new ATOM 0 HD12 LEU A 41 19.146 4.784 -8.851 1.00 63.33 H new ATOM 0 HD13 LEU A 41 18.558 6.120 -7.834 1.00 63.33 H new ATOM 0 HD21 LEU A 41 21.287 6.718 -6.535 1.00 12.32 H new ATOM 0 HD22 LEU A 41 19.764 6.600 -5.622 1.00 12.32 H new ATOM 0 HD23 LEU A 41 21.152 5.583 -5.171 1.00 12.32 H new ATOM 594 N MET A 42 21.565 2.394 -4.653 1.00 44.20 N ATOM 595 CA MET A 42 22.253 2.164 -3.388 1.00 35.24 C ATOM 596 C MET A 42 21.768 3.140 -2.320 1.00 73.31 C ATOM 597 O MET A 42 21.874 4.355 -2.482 1.00 22.42 O ATOM 598 CB MET A 42 23.765 2.301 -3.572 1.00 1.24 C ATOM 599 CG MET A 42 24.359 1.269 -4.516 1.00 74.14 C ATOM 600 SD MET A 42 25.273 2.018 -5.878 1.00 25.13 S ATOM 601 CE MET A 42 26.281 0.636 -6.410 1.00 31.24 C ATOM 0 H MET A 42 22.178 2.657 -5.425 1.00 44.20 H new ATOM 0 HA MET A 42 22.025 1.150 -3.059 1.00 35.24 H new ATOM 0 HB2 MET A 42 23.988 3.298 -3.951 1.00 1.24 H new ATOM 0 HB3 MET A 42 24.250 2.214 -2.600 1.00 1.24 H new ATOM 0 HG2 MET A 42 25.023 0.610 -3.957 1.00 74.14 H new ATOM 0 HG3 MET A 42 23.559 0.648 -4.919 1.00 74.14 H new ATOM 0 HE1 MET A 42 26.905 0.943 -7.250 1.00 31.24 H new ATOM 0 HE2 MET A 42 26.916 0.310 -5.586 1.00 31.24 H new ATOM 0 HE3 MET A 42 25.636 -0.187 -6.718 1.00 31.24 H new ATOM 611 N GLY A 43 21.234 2.599 -1.229 1.00 2.24 N ATOM 612 CA GLY A 43 20.741 3.437 -0.151 1.00 53.03 C ATOM 613 C GLY A 43 20.401 2.641 1.093 1.00 32.01 C ATOM 614 O GLY A 43 21.074 2.736 2.120 1.00 54.02 O ATOM 0 H GLY A 43 21.134 1.596 -1.072 1.00 2.24 H new ATOM 0 HA2 GLY A 43 21.493 4.187 0.095 1.00 53.03 H new ATOM 0 HA3 GLY A 43 19.854 3.974 -0.489 1.00 53.03 H new ATOM 618 N PRO A 44 19.332 1.835 1.011 1.00 31.00 N ATOM 619 CA PRO A 44 18.879 1.004 2.131 1.00 52.52 C ATOM 620 C PRO A 44 19.841 -0.140 2.430 1.00 1.23 C ATOM 621 O PRO A 44 19.697 -0.838 3.433 1.00 34.40 O ATOM 622 CB PRO A 44 17.533 0.459 1.646 1.00 24.30 C ATOM 623 CG PRO A 44 17.628 0.483 0.160 1.00 41.15 C ATOM 624 CD PRO A 44 18.483 1.672 -0.181 1.00 65.15 C ATOM 0 HA PRO A 44 18.815 1.571 3.060 1.00 52.52 H new ATOM 0 HB2 PRO A 44 17.359 -0.552 2.015 1.00 24.30 H new ATOM 0 HB3 PRO A 44 16.706 1.075 2.000 1.00 24.30 H new ATOM 0 HG2 PRO A 44 18.072 -0.438 -0.218 1.00 41.15 H new ATOM 0 HG3 PRO A 44 16.640 0.570 -0.293 1.00 41.15 H new ATOM 0 HD2 PRO A 44 19.078 1.495 -1.077 1.00 65.15 H new ATOM 0 HD3 PRO A 44 17.880 2.560 -0.369 1.00 65.15 H new ATOM 632 N ALA A 45 20.823 -0.325 1.554 1.00 23.55 N ATOM 633 CA ALA A 45 21.811 -1.384 1.727 1.00 12.40 C ATOM 634 C ALA A 45 22.945 -0.932 2.640 1.00 24.14 C ATOM 635 O ALA A 45 23.075 -1.408 3.768 1.00 33.43 O ATOM 636 CB ALA A 45 22.360 -1.819 0.376 1.00 15.13 C ATOM 0 H ALA A 45 20.956 0.244 0.718 1.00 23.55 H new ATOM 0 HA ALA A 45 21.318 -2.235 2.197 1.00 12.40 H new ATOM 0 HB1 ALA A 45 23.096 -2.610 0.520 1.00 15.13 H new ATOM 0 HB2 ALA A 45 21.545 -2.191 -0.245 1.00 15.13 H new ATOM 0 HB3 ALA A 45 22.832 -0.969 -0.116 1.00 15.13 H new ATOM 642 N PHE A 46 23.766 -0.011 2.146 1.00 31.00 N ATOM 643 CA PHE A 46 24.891 0.504 2.918 1.00 62.45 C ATOM 644 C PHE A 46 24.417 1.097 4.241 1.00 42.00 C ATOM 645 O PHE A 46 25.180 1.186 5.202 1.00 4.12 O ATOM 646 CB PHE A 46 25.647 1.563 2.112 1.00 21.34 C ATOM 647 CG PHE A 46 27.032 1.831 2.627 1.00 3.41 C ATOM 648 CD1 PHE A 46 27.233 2.676 3.707 1.00 34.33 C ATOM 649 CD2 PHE A 46 28.134 1.239 2.031 1.00 1.21 C ATOM 650 CE1 PHE A 46 28.506 2.925 4.182 1.00 3.12 C ATOM 651 CE2 PHE A 46 29.410 1.485 2.502 1.00 63.41 C ATOM 652 CZ PHE A 46 29.596 2.328 3.580 1.00 63.13 C ATOM 0 H PHE A 46 23.673 0.394 1.214 1.00 31.00 H new ATOM 0 HA PHE A 46 25.563 -0.327 3.133 1.00 62.45 H new ATOM 0 HB2 PHE A 46 25.710 1.241 1.073 1.00 21.34 H new ATOM 0 HB3 PHE A 46 25.077 2.492 2.123 1.00 21.34 H new ATOM 0 HD1 PHE A 46 26.385 3.145 4.183 1.00 34.33 H new ATOM 0 HD2 PHE A 46 27.994 0.578 1.189 1.00 1.21 H new ATOM 0 HE1 PHE A 46 28.649 3.586 5.024 1.00 3.12 H new ATOM 0 HE2 PHE A 46 30.261 1.018 2.028 1.00 63.41 H new ATOM 0 HZ PHE A 46 30.592 2.520 3.951 1.00 63.13 H new ATOM 662 N ALA A 47 23.152 1.502 4.282 1.00 41.14 N ATOM 663 CA ALA A 47 22.575 2.086 5.486 1.00 21.43 C ATOM 664 C ALA A 47 22.318 1.018 6.544 1.00 1.25 C ATOM 665 O ALA A 47 22.526 1.248 7.735 1.00 4.42 O ATOM 666 CB ALA A 47 21.286 2.821 5.151 1.00 32.32 C ATOM 0 H ALA A 47 22.507 1.436 3.495 1.00 41.14 H new ATOM 0 HA ALA A 47 23.291 2.800 5.893 1.00 21.43 H new ATOM 0 HB1 ALA A 47 20.866 3.252 6.060 1.00 32.32 H new ATOM 0 HB2 ALA A 47 21.496 3.616 4.436 1.00 32.32 H new ATOM 0 HB3 ALA A 47 20.571 2.122 4.717 1.00 32.32 H new ATOM 672 N ALA A 48 21.864 -0.150 6.102 1.00 13.30 N ATOM 673 CA ALA A 48 21.579 -1.253 7.011 1.00 5.13 C ATOM 674 C ALA A 48 22.808 -2.136 7.204 1.00 74.13 C ATOM 675 O ALA A 48 22.849 -2.971 8.106 1.00 13.25 O ATOM 676 CB ALA A 48 20.410 -2.077 6.492 1.00 5.12 C ATOM 0 H ALA A 48 21.686 -0.357 5.119 1.00 13.30 H new ATOM 0 HA ALA A 48 21.310 -0.833 7.980 1.00 5.13 H new ATOM 0 HB1 ALA A 48 20.209 -2.897 7.181 1.00 5.12 H new ATOM 0 HB2 ALA A 48 19.526 -1.444 6.413 1.00 5.12 H new ATOM 0 HB3 ALA A 48 20.657 -2.481 5.510 1.00 5.12 H new ATOM 682 N GLY A 49 23.807 -1.946 6.348 1.00 64.52 N ATOM 683 CA GLY A 49 25.023 -2.734 6.441 1.00 73.15 C ATOM 684 C GLY A 49 24.931 -4.035 5.668 1.00 51.13 C ATOM 685 O GLY A 49 25.746 -4.939 5.860 1.00 54.33 O ATOM 0 H GLY A 49 23.797 -1.261 5.592 1.00 64.52 H new ATOM 0 HA2 GLY A 49 25.861 -2.149 6.063 1.00 73.15 H new ATOM 0 HA3 GLY A 49 25.232 -2.951 7.488 1.00 73.15 H new ATOM 689 N LEU A 50 23.936 -4.132 4.793 1.00 62.33 N ATOM 690 CA LEU A 50 23.739 -5.334 3.989 1.00 44.54 C ATOM 691 C LEU A 50 24.817 -5.454 2.916 1.00 3.42 C ATOM 692 O LEU A 50 24.912 -4.614 2.021 1.00 63.12 O ATOM 693 CB LEU A 50 22.356 -5.314 3.337 1.00 14.20 C ATOM 694 CG LEU A 50 21.352 -6.341 3.861 1.00 20.45 C ATOM 695 CD1 LEU A 50 20.349 -5.680 4.793 1.00 34.25 C ATOM 696 CD2 LEU A 50 20.638 -7.027 2.706 1.00 72.31 C ATOM 0 H LEU A 50 23.253 -3.394 4.622 1.00 62.33 H new ATOM 0 HA LEU A 50 23.811 -6.198 4.649 1.00 44.54 H new ATOM 0 HB2 LEU A 50 21.929 -4.319 3.467 1.00 14.20 H new ATOM 0 HB3 LEU A 50 22.479 -5.470 2.265 1.00 14.20 H new ATOM 0 HG LEU A 50 21.897 -7.098 4.425 1.00 20.45 H new ATOM 0 HD11 LEU A 50 19.643 -6.427 5.156 1.00 34.25 H new ATOM 0 HD12 LEU A 50 20.875 -5.237 5.639 1.00 34.25 H new ATOM 0 HD13 LEU A 50 19.809 -4.902 4.254 1.00 34.25 H new ATOM 0 HD21 LEU A 50 19.927 -7.755 3.098 1.00 72.31 H new ATOM 0 HD22 LEU A 50 20.106 -6.283 2.114 1.00 72.31 H new ATOM 0 HD23 LEU A 50 21.369 -7.536 2.077 1.00 72.31 H new ATOM 708 N ARG A 51 25.626 -6.504 3.012 1.00 1.24 N ATOM 709 CA ARG A 51 26.697 -6.734 2.050 1.00 74.41 C ATOM 710 C ARG A 51 26.852 -8.224 1.756 1.00 54.44 C ATOM 711 O ARG A 51 26.341 -9.069 2.491 1.00 45.01 O ATOM 712 CB ARG A 51 28.016 -6.168 2.577 1.00 2.13 C ATOM 713 CG ARG A 51 28.373 -4.811 1.993 1.00 64.14 C ATOM 714 CD ARG A 51 29.605 -4.894 1.104 1.00 75.21 C ATOM 715 NE ARG A 51 30.790 -4.349 1.759 1.00 3.21 N ATOM 716 CZ ARG A 51 31.008 -3.048 1.920 1.00 25.40 C ATOM 717 NH1 ARG A 51 30.125 -2.165 1.476 1.00 3.21 N ATOM 718 NH2 ARG A 51 32.112 -2.630 2.527 1.00 53.42 N ATOM 0 H ARG A 51 25.560 -7.209 3.746 1.00 1.24 H new ATOM 0 HA ARG A 51 26.435 -6.223 1.124 1.00 74.41 H new ATOM 0 HB2 ARG A 51 27.957 -6.083 3.662 1.00 2.13 H new ATOM 0 HB3 ARG A 51 28.818 -6.872 2.355 1.00 2.13 H new ATOM 0 HG2 ARG A 51 27.531 -4.429 1.415 1.00 64.14 H new ATOM 0 HG3 ARG A 51 28.553 -4.102 2.801 1.00 64.14 H new ATOM 0 HD2 ARG A 51 29.787 -5.934 0.833 1.00 75.21 H new ATOM 0 HD3 ARG A 51 29.421 -4.350 0.177 1.00 75.21 H new ATOM 0 HE ARG A 51 31.489 -5.002 2.112 1.00 3.21 H new ATOM 0 HH11 ARG A 51 29.276 -2.483 1.009 1.00 3.21 H new ATOM 0 HH12 ARG A 51 30.295 -1.167 1.601 1.00 3.21 H new ATOM 0 HH21 ARG A 51 32.793 -3.307 2.870 1.00 53.42 H new ATOM 0 HH22 ARG A 51 32.279 -1.631 2.650 1.00 53.42 H new ATOM 732 N VAL A 52 27.559 -8.538 0.675 1.00 52.53 N ATOM 733 CA VAL A 52 27.782 -9.924 0.283 1.00 74.11 C ATOM 734 C VAL A 52 28.432 -10.716 1.412 1.00 72.34 C ATOM 735 O VAL A 52 29.436 -10.294 1.982 1.00 3.43 O ATOM 736 CB VAL A 52 28.669 -10.017 -0.972 1.00 63.03 C ATOM 737 CG1 VAL A 52 27.974 -9.381 -2.166 1.00 44.43 C ATOM 738 CG2 VAL A 52 30.019 -9.363 -0.719 1.00 41.44 C ATOM 0 H VAL A 52 27.987 -7.851 0.055 1.00 52.53 H new ATOM 0 HA VAL A 52 26.804 -10.351 0.059 1.00 74.11 H new ATOM 0 HB VAL A 52 28.838 -11.070 -1.200 1.00 63.03 H new ATOM 0 HG11 VAL A 52 28.616 -9.456 -3.043 1.00 44.43 H new ATOM 0 HG12 VAL A 52 27.034 -9.899 -2.358 1.00 44.43 H new ATOM 0 HG13 VAL A 52 27.773 -8.331 -1.953 1.00 44.43 H new ATOM 0 HG21 VAL A 52 30.633 -9.438 -1.616 1.00 41.44 H new ATOM 0 HG22 VAL A 52 29.873 -8.313 -0.466 1.00 41.44 H new ATOM 0 HG23 VAL A 52 30.519 -9.869 0.107 1.00 41.44 H new ATOM 748 N GLY A 53 27.851 -11.870 1.729 1.00 43.23 N ATOM 749 CA GLY A 53 28.388 -12.704 2.788 1.00 0.11 C ATOM 750 C GLY A 53 27.832 -12.340 4.150 1.00 1.15 C ATOM 751 O GLY A 53 28.316 -12.822 5.175 1.00 42.32 O ATOM 0 H GLY A 53 27.019 -12.241 1.271 1.00 43.23 H new ATOM 0 HA2 GLY A 53 28.162 -13.749 2.574 1.00 0.11 H new ATOM 0 HA3 GLY A 53 29.474 -12.610 2.805 1.00 0.11 H new ATOM 755 N ASP A 54 26.814 -11.486 4.164 1.00 64.35 N ATOM 756 CA ASP A 54 26.192 -11.057 5.411 1.00 62.23 C ATOM 757 C ASP A 54 24.875 -11.791 5.641 1.00 14.32 C ATOM 758 O ASP A 54 24.094 -11.990 4.711 1.00 51.41 O ATOM 759 CB ASP A 54 25.953 -9.547 5.393 1.00 41.31 C ATOM 760 CG ASP A 54 27.245 -8.757 5.310 1.00 54.01 C ATOM 761 OD1 ASP A 54 28.072 -9.064 4.426 1.00 25.05 O ATOM 762 OD2 ASP A 54 27.427 -7.831 6.128 1.00 61.42 O ATOM 0 H ASP A 54 26.402 -11.077 3.325 1.00 64.35 H new ATOM 0 HA ASP A 54 26.870 -11.299 6.229 1.00 62.23 H new ATOM 0 HB2 ASP A 54 25.320 -9.292 4.543 1.00 41.31 H new ATOM 0 HB3 ASP A 54 25.411 -9.257 6.293 1.00 41.31 H new ATOM 767 N GLN A 55 24.636 -12.191 6.886 1.00 53.40 N ATOM 768 CA GLN A 55 23.413 -12.904 7.237 1.00 3.44 C ATOM 769 C GLN A 55 22.296 -11.927 7.591 1.00 23.54 C ATOM 770 O GLN A 55 22.441 -11.104 8.496 1.00 54.11 O ATOM 771 CB GLN A 55 23.670 -13.851 8.411 1.00 52.03 C ATOM 772 CG GLN A 55 24.835 -14.800 8.183 1.00 62.12 C ATOM 773 CD GLN A 55 24.443 -16.255 8.346 1.00 22.43 C ATOM 774 OE1 GLN A 55 23.431 -16.702 7.805 1.00 24.33 O ATOM 775 NE2 GLN A 55 25.244 -17.004 9.095 1.00 4.14 N ATOM 0 H GLN A 55 25.272 -12.034 7.668 1.00 53.40 H new ATOM 0 HA GLN A 55 23.100 -13.487 6.371 1.00 3.44 H new ATOM 0 HB2 GLN A 55 23.863 -13.261 9.307 1.00 52.03 H new ATOM 0 HB3 GLN A 55 22.769 -14.434 8.601 1.00 52.03 H new ATOM 0 HG2 GLN A 55 25.234 -14.645 7.180 1.00 62.12 H new ATOM 0 HG3 GLN A 55 25.635 -14.562 8.884 1.00 62.12 H new ATOM 0 HE21 GLN A 55 26.073 -16.593 9.525 1.00 4.14 H new ATOM 0 HE22 GLN A 55 25.031 -17.991 9.241 1.00 4.14 H new ATOM 784 N LEU A 56 21.183 -12.024 6.873 1.00 21.51 N ATOM 785 CA LEU A 56 20.040 -11.149 7.111 1.00 23.51 C ATOM 786 C LEU A 56 18.802 -11.959 7.483 1.00 64.43 C ATOM 787 O LEU A 56 18.197 -12.613 6.633 1.00 52.30 O ATOM 788 CB LEU A 56 19.755 -10.301 5.870 1.00 23.34 C ATOM 789 CG LEU A 56 20.816 -9.260 5.511 1.00 71.20 C ATOM 790 CD1 LEU A 56 21.203 -8.447 6.737 1.00 73.14 C ATOM 791 CD2 LEU A 56 22.040 -9.933 4.907 1.00 40.43 C ATOM 0 H LEU A 56 21.047 -12.700 6.121 1.00 21.51 H new ATOM 0 HA LEU A 56 20.285 -10.491 7.945 1.00 23.51 H new ATOM 0 HB2 LEU A 56 19.628 -10.970 5.019 1.00 23.34 H new ATOM 0 HB3 LEU A 56 18.805 -9.787 6.016 1.00 23.34 H new ATOM 0 HG LEU A 56 20.395 -8.582 4.769 1.00 71.20 H new ATOM 0 HD11 LEU A 56 21.959 -7.711 6.462 1.00 73.14 H new ATOM 0 HD12 LEU A 56 20.323 -7.935 7.127 1.00 73.14 H new ATOM 0 HD13 LEU A 56 21.605 -9.111 7.502 1.00 73.14 H new ATOM 0 HD21 LEU A 56 22.785 -9.177 4.657 1.00 40.43 H new ATOM 0 HD22 LEU A 56 22.462 -10.634 5.627 1.00 40.43 H new ATOM 0 HD23 LEU A 56 21.751 -10.470 4.003 1.00 40.43 H new ATOM 803 N VAL A 57 18.430 -11.910 8.758 1.00 62.41 N ATOM 804 CA VAL A 57 17.262 -12.637 9.242 1.00 42.31 C ATOM 805 C VAL A 57 16.091 -11.692 9.487 1.00 33.52 C ATOM 806 O VAL A 57 16.125 -10.528 9.090 1.00 41.14 O ATOM 807 CB VAL A 57 17.575 -13.398 10.544 1.00 73.44 C ATOM 808 CG1 VAL A 57 18.862 -14.196 10.400 1.00 2.41 C ATOM 809 CG2 VAL A 57 17.663 -12.434 11.717 1.00 41.13 C ATOM 0 H VAL A 57 18.920 -11.375 9.474 1.00 62.41 H new ATOM 0 HA VAL A 57 16.991 -13.354 8.467 1.00 42.31 H new ATOM 0 HB VAL A 57 16.762 -14.098 10.740 1.00 73.44 H new ATOM 0 HG11 VAL A 57 19.067 -14.727 11.330 1.00 2.41 H new ATOM 0 HG12 VAL A 57 18.755 -14.915 9.588 1.00 2.41 H new ATOM 0 HG13 VAL A 57 19.687 -13.519 10.179 1.00 2.41 H new ATOM 0 HG21 VAL A 57 17.885 -12.989 12.628 1.00 41.13 H new ATOM 0 HG22 VAL A 57 18.455 -11.708 11.533 1.00 41.13 H new ATOM 0 HG23 VAL A 57 16.713 -11.913 11.832 1.00 41.13 H new ATOM 819 N ARG A 58 15.055 -12.202 10.145 1.00 34.40 N ATOM 820 CA ARG A 58 13.871 -11.405 10.443 1.00 3.31 C ATOM 821 C ARG A 58 13.523 -11.482 11.927 1.00 70.23 C ATOM 822 O ARG A 58 13.033 -10.516 12.511 1.00 3.35 O ATOM 823 CB ARG A 58 12.684 -11.881 9.604 1.00 22.31 C ATOM 824 CG ARG A 58 11.450 -11.004 9.741 1.00 23.31 C ATOM 825 CD ARG A 58 10.179 -11.780 9.434 1.00 12.21 C ATOM 826 NE ARG A 58 8.990 -11.107 9.950 1.00 35.54 N ATOM 827 CZ ARG A 58 7.815 -11.708 10.105 1.00 53.11 C ATOM 828 NH1 ARG A 58 7.673 -12.987 9.785 1.00 51.32 N ATOM 829 NH2 ARG A 58 6.779 -11.029 10.581 1.00 52.10 N ATOM 0 H ARG A 58 15.012 -13.164 10.482 1.00 34.40 H new ATOM 0 HA ARG A 58 14.090 -10.367 10.192 1.00 3.31 H new ATOM 0 HB2 ARG A 58 12.981 -11.914 8.556 1.00 22.31 H new ATOM 0 HB3 ARG A 58 12.429 -12.900 9.896 1.00 22.31 H new ATOM 0 HG2 ARG A 58 11.398 -10.603 10.753 1.00 23.31 H new ATOM 0 HG3 ARG A 58 11.530 -10.153 9.065 1.00 23.31 H new ATOM 0 HD2 ARG A 58 10.084 -11.908 8.356 1.00 12.21 H new ATOM 0 HD3 ARG A 58 10.249 -12.777 9.869 1.00 12.21 H new ATOM 0 HE ARG A 58 9.066 -10.122 10.205 1.00 35.54 H new ATOM 0 HH11 ARG A 58 8.467 -13.512 9.419 1.00 51.32 H new ATOM 0 HH12 ARG A 58 6.770 -13.446 9.905 1.00 51.32 H new ATOM 0 HH21 ARG A 58 6.884 -10.045 10.828 1.00 52.10 H new ATOM 0 HH22 ARG A 58 5.877 -11.491 10.700 1.00 52.10 H new ATOM 843 N PHE A 59 13.778 -12.639 12.530 1.00 45.54 N ATOM 844 CA PHE A 59 13.491 -12.843 13.944 1.00 33.05 C ATOM 845 C PHE A 59 14.763 -12.732 14.780 1.00 51.12 C ATOM 846 O PHE A 59 15.854 -13.059 14.314 1.00 2.25 O ATOM 847 CB PHE A 59 12.842 -14.212 14.162 1.00 1.42 C ATOM 848 CG PHE A 59 11.484 -14.338 13.534 1.00 71.13 C ATOM 849 CD1 PHE A 59 10.461 -13.471 13.883 1.00 32.43 C ATOM 850 CD2 PHE A 59 11.230 -15.323 12.593 1.00 62.10 C ATOM 851 CE1 PHE A 59 9.210 -13.586 13.307 1.00 31.20 C ATOM 852 CE2 PHE A 59 9.981 -15.442 12.013 1.00 62.51 C ATOM 853 CZ PHE A 59 8.970 -14.572 12.370 1.00 61.12 C ATOM 0 H PHE A 59 14.183 -13.449 12.061 1.00 45.54 H new ATOM 0 HA PHE A 59 12.798 -12.064 14.264 1.00 33.05 H new ATOM 0 HB2 PHE A 59 13.495 -14.984 13.755 1.00 1.42 H new ATOM 0 HB3 PHE A 59 12.757 -14.399 15.233 1.00 1.42 H new ATOM 0 HD1 PHE A 59 10.643 -12.697 14.613 1.00 32.43 H new ATOM 0 HD2 PHE A 59 12.017 -16.006 12.309 1.00 62.10 H new ATOM 0 HE1 PHE A 59 8.421 -12.905 13.589 1.00 31.20 H new ATOM 0 HE2 PHE A 59 9.796 -16.215 11.281 1.00 62.51 H new ATOM 0 HZ PHE A 59 7.994 -14.662 11.917 1.00 61.12 H new ATOM 863 N ALA A 60 14.613 -12.267 16.016 1.00 61.50 N ATOM 864 CA ALA A 60 15.748 -12.114 16.917 1.00 24.12 C ATOM 865 C ALA A 60 16.237 -13.468 17.420 1.00 33.33 C ATOM 866 O ALA A 60 17.234 -13.553 18.136 1.00 13.22 O ATOM 867 CB ALA A 60 15.375 -11.217 18.088 1.00 24.01 C ATOM 0 H ALA A 60 13.717 -11.990 16.416 1.00 61.50 H new ATOM 0 HA ALA A 60 16.561 -11.648 16.361 1.00 24.12 H new ATOM 0 HB1 ALA A 60 16.232 -11.111 18.753 1.00 24.01 H new ATOM 0 HB2 ALA A 60 15.082 -10.236 17.715 1.00 24.01 H new ATOM 0 HB3 ALA A 60 14.543 -11.661 18.636 1.00 24.01 H new ATOM 873 N GLY A 61 15.527 -14.527 17.041 1.00 14.34 N ATOM 874 CA GLY A 61 15.903 -15.863 17.465 1.00 41.25 C ATOM 875 C GLY A 61 17.077 -16.411 16.677 1.00 35.21 C ATOM 876 O GLY A 61 17.500 -17.547 16.891 1.00 71.41 O ATOM 0 H GLY A 61 14.698 -14.483 16.448 1.00 14.34 H new ATOM 0 HA2 GLY A 61 16.156 -15.847 18.525 1.00 41.25 H new ATOM 0 HA3 GLY A 61 15.049 -16.531 17.351 1.00 41.25 H new ATOM 880 N TYR A 62 17.602 -15.604 15.763 1.00 43.22 N ATOM 881 CA TYR A 62 18.731 -16.016 14.937 1.00 24.25 C ATOM 882 C TYR A 62 18.338 -17.161 14.009 1.00 52.45 C ATOM 883 O TYR A 62 18.707 -18.314 14.233 1.00 73.13 O ATOM 884 CB TYR A 62 19.906 -16.442 15.820 1.00 44.45 C ATOM 885 CG TYR A 62 20.135 -15.531 17.004 1.00 11.45 C ATOM 886 CD1 TYR A 62 20.072 -14.149 16.866 1.00 70.41 C ATOM 887 CD2 TYR A 62 20.415 -16.051 18.262 1.00 13.40 C ATOM 888 CE1 TYR A 62 20.281 -13.313 17.945 1.00 12.04 C ATOM 889 CE2 TYR A 62 20.623 -15.222 19.347 1.00 4.14 C ATOM 890 CZ TYR A 62 20.556 -13.854 19.184 1.00 34.01 C ATOM 891 OH TYR A 62 20.764 -13.025 20.262 1.00 23.15 O ATOM 0 H TYR A 62 17.264 -14.660 15.575 1.00 43.22 H new ATOM 0 HA TYR A 62 19.032 -15.165 14.327 1.00 24.25 H new ATOM 0 HB2 TYR A 62 19.730 -17.455 16.181 1.00 44.45 H new ATOM 0 HB3 TYR A 62 20.812 -16.472 15.215 1.00 44.45 H new ATOM 0 HD1 TYR A 62 19.856 -13.722 15.898 1.00 70.41 H new ATOM 0 HD2 TYR A 62 20.471 -17.122 18.393 1.00 13.40 H new ATOM 0 HE1 TYR A 62 20.229 -12.242 17.820 1.00 12.04 H new ATOM 0 HE2 TYR A 62 20.837 -15.643 20.318 1.00 4.14 H new ATOM 0 HH TYR A 62 20.945 -13.565 21.060 1.00 23.15 H new ATOM 901 N THR A 63 17.586 -16.833 12.962 1.00 34.13 N ATOM 902 CA THR A 63 17.141 -17.832 11.998 1.00 15.55 C ATOM 903 C THR A 63 16.263 -17.203 10.921 1.00 24.45 C ATOM 904 O THR A 63 15.601 -16.193 11.157 1.00 0.14 O ATOM 905 CB THR A 63 16.357 -18.966 12.686 1.00 51.33 C ATOM 906 OG1 THR A 63 15.718 -19.786 11.701 1.00 13.13 O ATOM 907 CG2 THR A 63 15.314 -18.402 13.639 1.00 73.32 C ATOM 0 H THR A 63 17.273 -15.883 12.760 1.00 34.13 H new ATOM 0 HA THR A 63 18.037 -18.248 11.536 1.00 15.55 H new ATOM 0 HB THR A 63 17.061 -19.569 13.260 1.00 51.33 H new ATOM 0 HG1 THR A 63 15.223 -20.506 12.146 1.00 13.13 H new ATOM 0 HG21 THR A 63 14.773 -19.221 14.113 1.00 73.32 H new ATOM 0 HG22 THR A 63 15.807 -17.802 14.404 1.00 73.32 H new ATOM 0 HG23 THR A 63 14.614 -17.778 13.084 1.00 73.32 H new ATOM 915 N VAL A 64 16.263 -17.808 9.738 1.00 72.51 N ATOM 916 CA VAL A 64 15.465 -17.309 8.624 1.00 21.04 C ATOM 917 C VAL A 64 14.966 -18.453 7.749 1.00 64.21 C ATOM 918 O VAL A 64 15.566 -19.528 7.711 1.00 35.54 O ATOM 919 CB VAL A 64 16.269 -16.325 7.755 1.00 45.33 C ATOM 920 CG1 VAL A 64 17.361 -17.057 6.990 1.00 44.02 C ATOM 921 CG2 VAL A 64 15.347 -15.580 6.801 1.00 20.14 C ATOM 0 H VAL A 64 16.807 -18.645 9.526 1.00 72.51 H new ATOM 0 HA VAL A 64 14.611 -16.787 9.055 1.00 21.04 H new ATOM 0 HB VAL A 64 16.744 -15.594 8.410 1.00 45.33 H new ATOM 0 HG11 VAL A 64 17.919 -16.345 6.381 1.00 44.02 H new ATOM 0 HG12 VAL A 64 18.038 -17.540 7.695 1.00 44.02 H new ATOM 0 HG13 VAL A 64 16.910 -17.811 6.345 1.00 44.02 H new ATOM 0 HG21 VAL A 64 15.932 -14.889 6.195 1.00 20.14 H new ATOM 0 HG22 VAL A 64 14.842 -16.294 6.151 1.00 20.14 H new ATOM 0 HG23 VAL A 64 14.605 -15.022 7.373 1.00 20.14 H new ATOM 931 N THR A 65 13.865 -18.215 7.044 1.00 53.11 N ATOM 932 CA THR A 65 13.284 -19.225 6.168 1.00 21.25 C ATOM 933 C THR A 65 14.031 -19.298 4.842 1.00 62.03 C ATOM 934 O THR A 65 14.862 -20.182 4.635 1.00 73.10 O ATOM 935 CB THR A 65 11.796 -18.940 5.892 1.00 71.44 C ATOM 936 OG1 THR A 65 11.521 -17.547 6.075 1.00 63.11 O ATOM 937 CG2 THR A 65 10.907 -19.763 6.812 1.00 21.03 C ATOM 0 H THR A 65 13.357 -17.331 7.062 1.00 53.11 H new ATOM 0 HA THR A 65 13.373 -20.181 6.684 1.00 21.25 H new ATOM 0 HB THR A 65 11.581 -19.219 4.860 1.00 71.44 H new ATOM 0 HG1 THR A 65 10.556 -17.415 6.181 1.00 63.11 H new ATOM 0 HG21 THR A 65 9.861 -19.544 6.598 1.00 21.03 H new ATOM 0 HG22 THR A 65 11.097 -20.824 6.648 1.00 21.03 H new ATOM 0 HG23 THR A 65 11.125 -19.511 7.850 1.00 21.03 H new ATOM 945 N GLU A 66 13.731 -18.362 3.946 1.00 33.54 N ATOM 946 CA GLU A 66 14.375 -18.322 2.639 1.00 61.21 C ATOM 947 C GLU A 66 14.314 -16.918 2.046 1.00 45.45 C ATOM 948 O GLU A 66 13.947 -15.959 2.726 1.00 1.12 O ATOM 949 CB GLU A 66 13.710 -19.319 1.687 1.00 5.11 C ATOM 950 CG GLU A 66 12.300 -18.926 1.282 1.00 34.15 C ATOM 951 CD GLU A 66 11.263 -19.942 1.720 1.00 32.25 C ATOM 952 OE1 GLU A 66 11.549 -21.155 1.642 1.00 44.05 O ATOM 953 OE2 GLU A 66 10.164 -19.524 2.143 1.00 43.23 O ATOM 0 H GLU A 66 13.046 -17.622 4.102 1.00 33.54 H new ATOM 0 HA GLU A 66 15.421 -18.598 2.769 1.00 61.21 H new ATOM 0 HB2 GLU A 66 14.323 -19.416 0.791 1.00 5.11 H new ATOM 0 HB3 GLU A 66 13.682 -20.299 2.162 1.00 5.11 H new ATOM 0 HG2 GLU A 66 12.058 -17.956 1.716 1.00 34.15 H new ATOM 0 HG3 GLU A 66 12.256 -18.811 0.199 1.00 34.15 H new ATOM 960 N LEU A 67 14.678 -16.803 0.773 1.00 72.41 N ATOM 961 CA LEU A 67 14.666 -15.516 0.086 1.00 32.33 C ATOM 962 C LEU A 67 13.250 -14.955 0.006 1.00 33.12 C ATOM 963 O LEU A 67 13.050 -13.741 0.032 1.00 62.13 O ATOM 964 CB LEU A 67 15.250 -15.661 -1.320 1.00 54.22 C ATOM 965 CG LEU A 67 14.750 -16.855 -2.135 1.00 4.23 C ATOM 966 CD1 LEU A 67 13.911 -16.384 -3.312 1.00 71.12 C ATOM 967 CD2 LEU A 67 15.921 -17.699 -2.616 1.00 24.10 C ATOM 0 H LEU A 67 14.985 -17.586 0.196 1.00 72.41 H new ATOM 0 HA LEU A 67 15.281 -14.821 0.658 1.00 32.33 H new ATOM 0 HB2 LEU A 67 15.033 -14.750 -1.877 1.00 54.22 H new ATOM 0 HB3 LEU A 67 16.334 -15.733 -1.236 1.00 54.22 H new ATOM 0 HG LEU A 67 14.122 -17.472 -1.492 1.00 4.23 H new ATOM 0 HD11 LEU A 67 13.564 -17.247 -3.880 1.00 71.12 H new ATOM 0 HD12 LEU A 67 13.052 -15.822 -2.945 1.00 71.12 H new ATOM 0 HD13 LEU A 67 14.514 -15.744 -3.956 1.00 71.12 H new ATOM 0 HD21 LEU A 67 15.547 -18.544 -3.194 1.00 24.10 H new ATOM 0 HD22 LEU A 67 16.574 -17.092 -3.242 1.00 24.10 H new ATOM 0 HD23 LEU A 67 16.482 -18.067 -1.757 1.00 24.10 H new ATOM 979 N ALA A 68 12.270 -15.848 -0.089 1.00 15.44 N ATOM 980 CA ALA A 68 10.872 -15.442 -0.168 1.00 12.32 C ATOM 981 C ALA A 68 10.480 -14.586 1.032 1.00 51.22 C ATOM 982 O ALA A 68 9.700 -13.642 0.905 1.00 65.03 O ATOM 983 CB ALA A 68 9.972 -16.665 -0.263 1.00 13.33 C ATOM 0 H ALA A 68 12.418 -16.857 -0.113 1.00 15.44 H new ATOM 0 HA ALA A 68 10.744 -14.840 -1.068 1.00 12.32 H new ATOM 0 HB1 ALA A 68 8.931 -16.347 -0.321 1.00 13.33 H new ATOM 0 HB2 ALA A 68 10.227 -17.236 -1.155 1.00 13.33 H new ATOM 0 HB3 ALA A 68 10.112 -17.289 0.620 1.00 13.33 H new ATOM 989 N ALA A 69 11.025 -14.922 2.196 1.00 31.33 N ATOM 990 CA ALA A 69 10.733 -14.183 3.418 1.00 32.54 C ATOM 991 C ALA A 69 11.326 -12.780 3.366 1.00 11.41 C ATOM 992 O ALA A 69 10.692 -11.811 3.786 1.00 62.11 O ATOM 993 CB ALA A 69 11.261 -14.937 4.630 1.00 65.12 C ATOM 0 H ALA A 69 11.671 -15.701 2.319 1.00 31.33 H new ATOM 0 HA ALA A 69 9.651 -14.088 3.506 1.00 32.54 H new ATOM 0 HB1 ALA A 69 11.036 -14.374 5.535 1.00 65.12 H new ATOM 0 HB2 ALA A 69 10.786 -15.916 4.685 1.00 65.12 H new ATOM 0 HB3 ALA A 69 12.340 -15.062 4.539 1.00 65.12 H new ATOM 999 N PHE A 70 12.546 -12.676 2.849 1.00 73.51 N ATOM 1000 CA PHE A 70 13.225 -11.390 2.744 1.00 61.55 C ATOM 1001 C PHE A 70 12.537 -10.494 1.718 1.00 32.13 C ATOM 1002 O PHE A 70 12.295 -9.315 1.972 1.00 31.02 O ATOM 1003 CB PHE A 70 14.691 -11.595 2.357 1.00 43.45 C ATOM 1004 CG PHE A 70 15.501 -10.330 2.388 1.00 23.12 C ATOM 1005 CD1 PHE A 70 15.441 -9.427 1.339 1.00 14.54 C ATOM 1006 CD2 PHE A 70 16.323 -10.045 3.467 1.00 52.33 C ATOM 1007 CE1 PHE A 70 16.186 -8.263 1.366 1.00 55.32 C ATOM 1008 CE2 PHE A 70 17.070 -8.882 3.499 1.00 72.11 C ATOM 1009 CZ PHE A 70 17.000 -7.990 2.447 1.00 1.53 C ATOM 0 H PHE A 70 13.085 -13.467 2.496 1.00 73.51 H new ATOM 0 HA PHE A 70 13.178 -10.901 3.717 1.00 61.55 H new ATOM 0 HB2 PHE A 70 15.140 -12.321 3.035 1.00 43.45 H new ATOM 0 HB3 PHE A 70 14.738 -12.023 1.356 1.00 43.45 H new ATOM 0 HD1 PHE A 70 14.805 -9.635 0.491 1.00 14.54 H new ATOM 0 HD2 PHE A 70 16.381 -10.739 4.292 1.00 52.33 H new ATOM 0 HE1 PHE A 70 16.131 -7.567 0.542 1.00 55.32 H new ATOM 0 HE2 PHE A 70 17.707 -8.671 4.345 1.00 72.11 H new ATOM 0 HZ PHE A 70 17.581 -7.080 2.470 1.00 1.53 H new ATOM 1019 N ASN A 71 12.225 -11.063 0.558 1.00 31.24 N ATOM 1020 CA ASN A 71 11.566 -10.316 -0.507 1.00 34.14 C ATOM 1021 C ASN A 71 10.178 -9.856 -0.070 1.00 30.11 C ATOM 1022 O ASN A 71 9.725 -8.773 -0.441 1.00 11.32 O ATOM 1023 CB ASN A 71 11.457 -11.175 -1.768 1.00 52.33 C ATOM 1024 CG ASN A 71 11.148 -10.351 -3.003 1.00 51.25 C ATOM 1025 OD1 ASN A 71 10.910 -9.146 -2.916 1.00 64.01 O ATOM 1026 ND2 ASN A 71 11.150 -10.999 -4.162 1.00 74.05 N ATOM 0 H ASN A 71 12.418 -12.039 0.332 1.00 31.24 H new ATOM 0 HA ASN A 71 12.169 -9.435 -0.726 1.00 34.14 H new ATOM 0 HB2 ASN A 71 12.392 -11.714 -1.919 1.00 52.33 H new ATOM 0 HB3 ASN A 71 10.676 -11.923 -1.629 1.00 52.33 H new ATOM 0 HD21 ASN A 71 10.949 -10.497 -5.027 1.00 74.05 H new ATOM 0 HD22 ASN A 71 11.353 -11.998 -4.187 1.00 74.05 H new ATOM 1033 N THR A 72 9.507 -10.687 0.722 1.00 71.12 N ATOM 1034 CA THR A 72 8.171 -10.367 1.209 1.00 2.11 C ATOM 1035 C THR A 72 8.219 -9.260 2.256 1.00 33.45 C ATOM 1036 O THR A 72 7.442 -8.306 2.202 1.00 23.51 O ATOM 1037 CB THR A 72 7.483 -11.604 1.817 1.00 63.04 C ATOM 1038 OG1 THR A 72 8.388 -12.287 2.692 1.00 15.23 O ATOM 1039 CG2 THR A 72 7.014 -12.553 0.724 1.00 15.04 C ATOM 0 H THR A 72 9.867 -11.587 1.040 1.00 71.12 H new ATOM 0 HA THR A 72 7.594 -10.026 0.349 1.00 2.11 H new ATOM 0 HB THR A 72 6.614 -11.268 2.383 1.00 63.04 H new ATOM 0 HG1 THR A 72 8.797 -13.040 2.217 1.00 15.23 H new ATOM 0 HG21 THR A 72 6.531 -13.419 1.177 1.00 15.04 H new ATOM 0 HG22 THR A 72 6.304 -12.039 0.076 1.00 15.04 H new ATOM 0 HG23 THR A 72 7.870 -12.881 0.135 1.00 15.04 H new ATOM 1047 N VAL A 73 9.135 -9.393 3.210 1.00 64.21 N ATOM 1048 CA VAL A 73 9.285 -8.403 4.270 1.00 43.15 C ATOM 1049 C VAL A 73 9.649 -7.037 3.698 1.00 63.30 C ATOM 1050 O VAL A 73 9.138 -6.010 4.143 1.00 4.44 O ATOM 1051 CB VAL A 73 10.363 -8.826 5.285 1.00 65.22 C ATOM 1052 CG1 VAL A 73 10.624 -7.710 6.284 1.00 14.44 C ATOM 1053 CG2 VAL A 73 9.951 -10.105 5.997 1.00 32.43 C ATOM 0 H VAL A 73 9.785 -10.177 3.271 1.00 64.21 H new ATOM 0 HA VAL A 73 8.324 -8.336 4.779 1.00 43.15 H new ATOM 0 HB VAL A 73 11.290 -9.020 4.745 1.00 65.22 H new ATOM 0 HG11 VAL A 73 11.389 -8.028 6.993 1.00 14.44 H new ATOM 0 HG12 VAL A 73 10.967 -6.821 5.755 1.00 14.44 H new ATOM 0 HG13 VAL A 73 9.704 -7.480 6.821 1.00 14.44 H new ATOM 0 HG21 VAL A 73 10.724 -10.389 6.711 1.00 32.43 H new ATOM 0 HG22 VAL A 73 9.012 -9.941 6.526 1.00 32.43 H new ATOM 0 HG23 VAL A 73 9.821 -10.903 5.266 1.00 32.43 H new ATOM 1063 N VAL A 74 10.536 -7.034 2.708 1.00 51.54 N ATOM 1064 CA VAL A 74 10.968 -5.794 2.073 1.00 72.02 C ATOM 1065 C VAL A 74 9.829 -5.153 1.287 1.00 22.13 C ATOM 1066 O VAL A 74 9.556 -3.962 1.432 1.00 75.04 O ATOM 1067 CB VAL A 74 12.159 -6.034 1.126 1.00 12.30 C ATOM 1068 CG1 VAL A 74 12.552 -4.742 0.425 1.00 22.31 C ATOM 1069 CG2 VAL A 74 13.338 -6.615 1.891 1.00 61.42 C ATOM 0 H VAL A 74 10.969 -7.876 2.328 1.00 51.54 H new ATOM 0 HA VAL A 74 11.278 -5.121 2.872 1.00 72.02 H new ATOM 0 HB VAL A 74 11.858 -6.755 0.366 1.00 12.30 H new ATOM 0 HG11 VAL A 74 13.395 -4.931 -0.240 1.00 22.31 H new ATOM 0 HG12 VAL A 74 11.707 -4.372 -0.156 1.00 22.31 H new ATOM 0 HG13 VAL A 74 12.836 -3.997 1.168 1.00 22.31 H new ATOM 0 HG21 VAL A 74 14.171 -6.778 1.207 1.00 61.42 H new ATOM 0 HG22 VAL A 74 13.642 -5.920 2.673 1.00 61.42 H new ATOM 0 HG23 VAL A 74 13.047 -7.564 2.342 1.00 61.42 H new ATOM 1079 N ALA A 75 9.168 -5.952 0.456 1.00 42.11 N ATOM 1080 CA ALA A 75 8.057 -5.463 -0.351 1.00 70.41 C ATOM 1081 C ALA A 75 6.895 -5.015 0.529 1.00 71.42 C ATOM 1082 O ALA A 75 6.289 -3.971 0.289 1.00 72.14 O ATOM 1083 CB ALA A 75 7.600 -6.539 -1.326 1.00 12.44 C ATOM 0 H ALA A 75 9.383 -6.940 0.324 1.00 42.11 H new ATOM 0 HA ALA A 75 8.404 -4.598 -0.917 1.00 70.41 H new ATOM 0 HB1 ALA A 75 6.770 -6.161 -1.922 1.00 12.44 H new ATOM 0 HB2 ALA A 75 8.426 -6.809 -1.984 1.00 12.44 H new ATOM 0 HB3 ALA A 75 7.276 -7.419 -0.771 1.00 12.44 H new ATOM 1089 N ARG A 76 6.589 -5.812 1.548 1.00 52.03 N ATOM 1090 CA ARG A 76 5.498 -5.498 2.462 1.00 14.21 C ATOM 1091 C ARG A 76 5.756 -4.179 3.184 1.00 1.32 C ATOM 1092 O ARG A 76 4.837 -3.389 3.404 1.00 44.41 O ATOM 1093 CB ARG A 76 5.319 -6.624 3.482 1.00 12.43 C ATOM 1094 CG ARG A 76 4.352 -7.706 3.031 1.00 24.52 C ATOM 1095 CD ARG A 76 4.419 -7.922 1.527 1.00 2.53 C ATOM 1096 NE ARG A 76 3.785 -9.174 1.125 1.00 51.12 N ATOM 1097 CZ ARG A 76 3.455 -9.461 -0.130 1.00 2.33 C ATOM 1098 NH1 ARG A 76 3.699 -8.589 -1.099 1.00 30.15 N ATOM 1099 NH2 ARG A 76 2.881 -10.622 -0.417 1.00 52.21 N ATOM 0 H ARG A 76 7.081 -6.680 1.761 1.00 52.03 H new ATOM 0 HA ARG A 76 4.584 -5.399 1.876 1.00 14.21 H new ATOM 0 HB2 ARG A 76 6.289 -7.077 3.684 1.00 12.43 H new ATOM 0 HB3 ARG A 76 4.964 -6.199 4.421 1.00 12.43 H new ATOM 0 HG2 ARG A 76 4.584 -8.639 3.544 1.00 24.52 H new ATOM 0 HG3 ARG A 76 3.337 -7.429 3.315 1.00 24.52 H new ATOM 0 HD2 ARG A 76 3.932 -7.090 1.019 1.00 2.53 H new ATOM 0 HD3 ARG A 76 5.461 -7.924 1.207 1.00 2.53 H new ATOM 0 HE ARG A 76 3.584 -9.866 1.847 1.00 51.12 H new ATOM 0 HH11 ARG A 76 4.141 -7.696 -0.882 1.00 30.15 H new ATOM 0 HH12 ARG A 76 3.445 -8.812 -2.061 1.00 30.15 H new ATOM 0 HH21 ARG A 76 2.693 -11.295 0.326 1.00 52.21 H new ATOM 0 HH22 ARG A 76 2.628 -10.841 -1.380 1.00 52.21 H new ATOM 1113 N HIS A 77 7.013 -3.947 3.552 1.00 75.44 N ATOM 1114 CA HIS A 77 7.392 -2.724 4.249 1.00 2.11 C ATOM 1115 C HIS A 77 8.274 -1.846 3.366 1.00 73.13 C ATOM 1116 O HIS A 77 9.481 -1.745 3.582 1.00 65.04 O ATOM 1117 CB HIS A 77 8.125 -3.059 5.548 1.00 1.04 C ATOM 1118 CG HIS A 77 7.549 -4.235 6.275 1.00 72.10 C ATOM 1119 ND1 HIS A 77 8.321 -5.148 6.962 1.00 43.32 N ATOM 1120 CD2 HIS A 77 6.267 -4.644 6.421 1.00 72.21 C ATOM 1121 CE1 HIS A 77 7.540 -6.068 7.497 1.00 33.32 C ATOM 1122 NE2 HIS A 77 6.288 -5.786 7.184 1.00 10.52 N ATOM 0 H HIS A 77 7.785 -4.590 3.379 1.00 75.44 H new ATOM 0 HA HIS A 77 6.482 -2.173 4.485 1.00 2.11 H new ATOM 0 HB2 HIS A 77 9.173 -3.259 5.323 1.00 1.04 H new ATOM 0 HB3 HIS A 77 8.100 -2.189 6.204 1.00 1.04 H new ATOM 0 HD2 HIS A 77 5.391 -4.162 6.013 1.00 72.21 H new ATOM 0 HE1 HIS A 77 7.869 -6.909 8.090 1.00 33.32 H new ATOM 0 HE2 HIS A 77 5.470 -6.328 7.463 1.00 10.52 H new ATOM 1130 N VAL A 78 7.662 -1.213 2.370 1.00 74.53 N ATOM 1131 CA VAL A 78 8.390 -0.344 1.454 1.00 64.12 C ATOM 1132 C VAL A 78 8.094 1.124 1.737 1.00 52.33 C ATOM 1133 O VAL A 78 7.860 1.909 0.818 1.00 52.15 O ATOM 1134 CB VAL A 78 8.039 -0.654 -0.013 1.00 60.05 C ATOM 1135 CG1 VAL A 78 8.715 -1.940 -0.464 1.00 40.25 C ATOM 1136 CG2 VAL A 78 6.531 -0.744 -0.192 1.00 50.32 C ATOM 0 H VAL A 78 6.663 -1.286 2.177 1.00 74.53 H new ATOM 0 HA VAL A 78 9.451 -0.535 1.613 1.00 64.12 H new ATOM 0 HB VAL A 78 8.408 0.160 -0.637 1.00 60.05 H new ATOM 0 HG11 VAL A 78 8.455 -2.143 -1.503 1.00 40.25 H new ATOM 0 HG12 VAL A 78 9.796 -1.834 -0.374 1.00 40.25 H new ATOM 0 HG13 VAL A 78 8.379 -2.767 0.162 1.00 40.25 H new ATOM 0 HG21 VAL A 78 6.301 -0.964 -1.235 1.00 50.32 H new ATOM 0 HG22 VAL A 78 6.136 -1.538 0.442 1.00 50.32 H new ATOM 0 HG23 VAL A 78 6.074 0.205 0.088 1.00 50.32 H new ATOM 1146 N ARG A 79 8.106 1.489 3.015 1.00 52.14 N ATOM 1147 CA ARG A 79 7.837 2.864 3.419 1.00 23.22 C ATOM 1148 C ARG A 79 9.046 3.756 3.150 1.00 73.35 C ATOM 1149 O ARG A 79 10.169 3.284 2.973 1.00 2.23 O ATOM 1150 CB ARG A 79 7.471 2.919 4.903 1.00 34.34 C ATOM 1151 CG ARG A 79 5.990 3.153 5.157 1.00 63.13 C ATOM 1152 CD ARG A 79 5.390 2.050 6.014 1.00 24.40 C ATOM 1153 NE ARG A 79 3.931 2.098 6.026 1.00 12.45 N ATOM 1154 CZ ARG A 79 3.171 1.203 6.647 1.00 12.23 C ATOM 1155 NH1 ARG A 79 3.729 0.195 7.303 1.00 3.31 N ATOM 1156 NH2 ARG A 79 1.849 1.315 6.613 1.00 1.42 N ATOM 0 H ARG A 79 8.299 0.852 3.788 1.00 52.14 H new ATOM 0 HA ARG A 79 6.997 3.232 2.830 1.00 23.22 H new ATOM 0 HB2 ARG A 79 7.769 1.984 5.377 1.00 34.34 H new ATOM 0 HB3 ARG A 79 8.043 3.715 5.380 1.00 34.34 H new ATOM 0 HG2 ARG A 79 5.852 4.115 5.651 1.00 63.13 H new ATOM 0 HG3 ARG A 79 5.460 3.205 4.206 1.00 63.13 H new ATOM 0 HD2 ARG A 79 5.718 1.081 5.638 1.00 24.40 H new ATOM 0 HD3 ARG A 79 5.764 2.140 7.034 1.00 24.40 H new ATOM 0 HE ARG A 79 3.470 2.861 5.530 1.00 12.45 H new ATOM 0 HH11 ARG A 79 4.745 0.105 7.332 1.00 3.31 H new ATOM 0 HH12 ARG A 79 3.143 -0.491 7.779 1.00 3.31 H new ATOM 0 HH21 ARG A 79 1.416 2.089 6.110 1.00 1.42 H new ATOM 0 HH22 ARG A 79 1.266 0.627 7.090 1.00 1.42 H new ATOM 1170 N PRO A 80 8.811 5.076 3.116 1.00 62.03 N ATOM 1171 CA PRO A 80 9.868 6.062 2.868 1.00 33.51 C ATOM 1172 C PRO A 80 10.847 6.166 4.032 1.00 42.20 C ATOM 1173 O PRO A 80 11.815 6.925 3.975 1.00 12.01 O ATOM 1174 CB PRO A 80 9.097 7.373 2.698 1.00 33.05 C ATOM 1175 CG PRO A 80 7.830 7.168 3.455 1.00 53.10 C ATOM 1176 CD PRO A 80 7.497 5.708 3.317 1.00 14.33 C ATOM 0 HA PRO A 80 10.479 5.797 2.005 1.00 33.51 H new ATOM 0 HB2 PRO A 80 9.661 8.218 3.092 1.00 33.05 H new ATOM 0 HB3 PRO A 80 8.901 7.583 1.647 1.00 33.05 H new ATOM 0 HG2 PRO A 80 7.952 7.443 4.503 1.00 53.10 H new ATOM 0 HG3 PRO A 80 7.030 7.790 3.053 1.00 53.10 H new ATOM 0 HD2 PRO A 80 6.998 5.324 4.207 1.00 14.33 H new ATOM 0 HD3 PRO A 80 6.830 5.526 2.474 1.00 14.33 H new ATOM 1184 N SER A 81 10.590 5.399 5.087 1.00 41.14 N ATOM 1185 CA SER A 81 11.448 5.408 6.266 1.00 51.32 C ATOM 1186 C SER A 81 10.965 4.393 7.297 1.00 62.53 C ATOM 1187 O SER A 81 10.806 4.714 8.474 1.00 54.33 O ATOM 1188 CB SER A 81 11.481 6.806 6.887 1.00 25.12 C ATOM 1189 OG SER A 81 12.754 7.085 7.446 1.00 55.32 O ATOM 0 H SER A 81 9.795 4.764 5.149 1.00 41.14 H new ATOM 0 HA SER A 81 12.455 5.132 5.954 1.00 51.32 H new ATOM 0 HB2 SER A 81 11.242 7.551 6.128 1.00 25.12 H new ATOM 0 HB3 SER A 81 10.716 6.882 7.660 1.00 25.12 H new ATOM 0 HG SER A 81 12.750 7.984 7.835 1.00 55.32 H new ATOM 1195 N ALA A 82 10.734 3.164 6.845 1.00 43.33 N ATOM 1196 CA ALA A 82 10.272 2.100 7.727 1.00 72.02 C ATOM 1197 C ALA A 82 11.426 1.516 8.534 1.00 30.22 C ATOM 1198 O ALA A 82 12.488 1.216 7.989 1.00 2.02 O ATOM 1199 CB ALA A 82 9.583 1.008 6.921 1.00 42.51 C ATOM 0 H ALA A 82 10.859 2.881 5.873 1.00 43.33 H new ATOM 0 HA ALA A 82 9.554 2.528 8.427 1.00 72.02 H new ATOM 0 HB1 ALA A 82 9.243 0.220 7.593 1.00 42.51 H new ATOM 0 HB2 ALA A 82 8.727 1.430 6.394 1.00 42.51 H new ATOM 0 HB3 ALA A 82 10.285 0.591 6.198 1.00 42.51 H new ATOM 1205 N SER A 83 11.211 1.357 9.836 1.00 14.22 N ATOM 1206 CA SER A 83 12.235 0.813 10.720 1.00 61.12 C ATOM 1207 C SER A 83 11.843 -0.576 11.216 1.00 51.42 C ATOM 1208 O SER A 83 11.023 -0.713 12.124 1.00 21.22 O ATOM 1209 CB SER A 83 12.461 1.747 11.910 1.00 12.20 C ATOM 1210 OG SER A 83 13.015 2.982 11.491 1.00 3.10 O ATOM 0 H SER A 83 10.336 1.597 10.302 1.00 14.22 H new ATOM 0 HA SER A 83 13.162 0.729 10.153 1.00 61.12 H new ATOM 0 HB2 SER A 83 11.515 1.924 12.422 1.00 12.20 H new ATOM 0 HB3 SER A 83 13.128 1.271 12.629 1.00 12.20 H new ATOM 0 HG SER A 83 13.148 3.562 12.270 1.00 3.10 H new ATOM 1216 N ILE A 84 12.434 -1.601 10.613 1.00 62.25 N ATOM 1217 CA ILE A 84 12.148 -2.979 10.993 1.00 40.11 C ATOM 1218 C ILE A 84 13.351 -3.622 11.675 1.00 13.12 C ATOM 1219 O ILE A 84 14.484 -3.535 11.202 1.00 0.02 O ATOM 1220 CB ILE A 84 11.749 -3.829 9.772 1.00 45.20 C ATOM 1221 CG1 ILE A 84 11.396 -5.252 10.208 1.00 62.44 C ATOM 1222 CG2 ILE A 84 12.875 -3.846 8.749 1.00 60.15 C ATOM 1223 CD1 ILE A 84 11.070 -6.174 9.053 1.00 25.23 C ATOM 0 H ILE A 84 13.114 -1.504 9.859 1.00 62.25 H new ATOM 0 HA ILE A 84 11.312 -2.947 11.691 1.00 40.11 H new ATOM 0 HB ILE A 84 10.869 -3.383 9.308 1.00 45.20 H new ATOM 0 HG12 ILE A 84 12.231 -5.669 10.771 1.00 62.44 H new ATOM 0 HG13 ILE A 84 10.543 -5.215 10.885 1.00 62.44 H new ATOM 0 HG21 ILE A 84 12.579 -4.451 7.892 1.00 60.15 H new ATOM 0 HG22 ILE A 84 13.083 -2.828 8.420 1.00 60.15 H new ATOM 0 HG23 ILE A 84 13.771 -4.272 9.201 1.00 60.15 H new ATOM 0 HD11 ILE A 84 10.829 -7.166 9.436 1.00 25.23 H new ATOM 0 HD12 ILE A 84 10.215 -5.780 8.503 1.00 25.23 H new ATOM 0 HD13 ILE A 84 11.930 -6.241 8.387 1.00 25.23 H new ATOM 1235 N PRO A 85 13.100 -4.285 12.814 1.00 63.33 N ATOM 1236 CA PRO A 85 14.150 -4.959 13.585 1.00 54.33 C ATOM 1237 C PRO A 85 14.693 -6.192 12.871 1.00 53.33 C ATOM 1238 O PRO A 85 13.976 -7.173 12.673 1.00 40.14 O ATOM 1239 CB PRO A 85 13.437 -5.361 14.878 1.00 13.53 C ATOM 1240 CG PRO A 85 11.999 -5.466 14.502 1.00 42.13 C ATOM 1241 CD PRO A 85 11.773 -4.430 13.436 1.00 44.42 C ATOM 0 HA PRO A 85 15.017 -4.317 13.741 1.00 54.33 H new ATOM 0 HB2 PRO A 85 13.816 -6.309 15.261 1.00 13.53 H new ATOM 0 HB3 PRO A 85 13.588 -4.618 15.661 1.00 13.53 H new ATOM 0 HG2 PRO A 85 11.764 -6.464 14.132 1.00 42.13 H new ATOM 0 HG3 PRO A 85 11.356 -5.286 15.364 1.00 42.13 H new ATOM 0 HD2 PRO A 85 11.024 -4.754 12.713 1.00 44.42 H new ATOM 0 HD3 PRO A 85 11.422 -3.488 13.859 1.00 44.42 H new ATOM 1249 N VAL A 86 15.964 -6.135 12.486 1.00 20.45 N ATOM 1250 CA VAL A 86 16.604 -7.249 11.796 1.00 51.43 C ATOM 1251 C VAL A 86 17.949 -7.588 12.428 1.00 11.13 C ATOM 1252 O VAL A 86 18.837 -6.740 12.518 1.00 53.22 O ATOM 1253 CB VAL A 86 16.816 -6.935 10.303 1.00 73.45 C ATOM 1254 CG1 VAL A 86 17.556 -8.074 9.618 1.00 43.02 C ATOM 1255 CG2 VAL A 86 15.482 -6.669 9.620 1.00 25.02 C ATOM 0 H VAL A 86 16.571 -5.330 12.640 1.00 20.45 H new ATOM 0 HA VAL A 86 15.936 -8.105 11.890 1.00 51.43 H new ATOM 0 HB VAL A 86 17.426 -6.035 10.222 1.00 73.45 H new ATOM 0 HG11 VAL A 86 17.697 -7.835 8.564 1.00 43.02 H new ATOM 0 HG12 VAL A 86 18.528 -8.213 10.091 1.00 43.02 H new ATOM 0 HG13 VAL A 86 16.974 -8.991 9.707 1.00 43.02 H new ATOM 0 HG21 VAL A 86 15.650 -6.449 8.566 1.00 25.02 H new ATOM 0 HG22 VAL A 86 14.845 -7.549 9.710 1.00 25.02 H new ATOM 0 HG23 VAL A 86 14.993 -5.818 10.095 1.00 25.02 H new ATOM 1265 N VAL A 87 18.093 -8.835 12.866 1.00 1.31 N ATOM 1266 CA VAL A 87 19.331 -9.288 13.489 1.00 12.24 C ATOM 1267 C VAL A 87 20.301 -9.836 12.449 1.00 23.13 C ATOM 1268 O VAL A 87 19.940 -10.686 11.635 1.00 25.21 O ATOM 1269 CB VAL A 87 19.061 -10.374 14.547 1.00 24.33 C ATOM 1270 CG1 VAL A 87 20.370 -10.944 15.073 1.00 61.54 C ATOM 1271 CG2 VAL A 87 18.220 -9.814 15.684 1.00 2.31 C ATOM 0 H VAL A 87 17.368 -9.549 12.801 1.00 1.31 H new ATOM 0 HA VAL A 87 19.777 -8.421 13.975 1.00 12.24 H new ATOM 0 HB VAL A 87 18.502 -11.183 14.077 1.00 24.33 H new ATOM 0 HG11 VAL A 87 20.159 -11.710 15.820 1.00 61.54 H new ATOM 0 HG12 VAL A 87 20.932 -11.385 14.250 1.00 61.54 H new ATOM 0 HG13 VAL A 87 20.958 -10.146 15.527 1.00 61.54 H new ATOM 0 HG21 VAL A 87 18.039 -10.596 16.422 1.00 2.31 H new ATOM 0 HG22 VAL A 87 18.750 -8.986 16.155 1.00 2.31 H new ATOM 0 HG23 VAL A 87 17.267 -9.459 15.291 1.00 2.31 H new ATOM 1281 N PHE A 88 21.535 -9.344 12.482 1.00 23.23 N ATOM 1282 CA PHE A 88 22.559 -9.784 11.542 1.00 62.51 C ATOM 1283 C PHE A 88 23.569 -10.701 12.227 1.00 52.03 C ATOM 1284 O PHE A 88 23.901 -10.512 13.397 1.00 50.02 O ATOM 1285 CB PHE A 88 23.278 -8.577 10.936 1.00 62.40 C ATOM 1286 CG PHE A 88 24.740 -8.518 11.275 1.00 1.03 C ATOM 1287 CD1 PHE A 88 25.670 -9.208 10.515 1.00 20.50 C ATOM 1288 CD2 PHE A 88 25.184 -7.772 12.355 1.00 4.11 C ATOM 1289 CE1 PHE A 88 27.016 -9.156 10.824 1.00 2.33 C ATOM 1290 CE2 PHE A 88 26.529 -7.715 12.669 1.00 41.00 C ATOM 1291 CZ PHE A 88 27.446 -8.409 11.903 1.00 10.35 C ATOM 0 H PHE A 88 21.850 -8.640 13.150 1.00 23.23 H new ATOM 0 HA PHE A 88 22.069 -10.344 10.745 1.00 62.51 H new ATOM 0 HB2 PHE A 88 23.165 -8.604 9.852 1.00 62.40 H new ATOM 0 HB3 PHE A 88 22.795 -7.664 11.284 1.00 62.40 H new ATOM 0 HD1 PHE A 88 25.339 -9.794 9.670 1.00 20.50 H new ATOM 0 HD2 PHE A 88 24.471 -7.229 12.958 1.00 4.11 H new ATOM 0 HE1 PHE A 88 27.730 -9.699 10.223 1.00 2.33 H new ATOM 0 HE2 PHE A 88 26.863 -7.129 13.512 1.00 41.00 H new ATOM 0 HZ PHE A 88 28.497 -8.367 12.148 1.00 10.35 H new ATOM 1301 N SER A 89 24.053 -11.695 11.489 1.00 54.24 N ATOM 1302 CA SER A 89 25.021 -12.644 12.025 1.00 70.10 C ATOM 1303 C SER A 89 26.265 -12.708 11.143 1.00 34.15 C ATOM 1304 O SER A 89 26.185 -12.541 9.926 1.00 3.03 O ATOM 1305 CB SER A 89 24.393 -14.034 12.142 1.00 30.22 C ATOM 1306 OG SER A 89 23.794 -14.218 13.413 1.00 1.23 O ATOM 0 H SER A 89 23.790 -11.864 10.518 1.00 54.24 H new ATOM 0 HA SER A 89 25.317 -12.302 13.017 1.00 70.10 H new ATOM 0 HB2 SER A 89 23.644 -14.165 11.361 1.00 30.22 H new ATOM 0 HB3 SER A 89 25.156 -14.796 11.982 1.00 30.22 H new ATOM 0 HG SER A 89 24.413 -13.922 14.112 1.00 1.23 H new ATOM 1312 N ARG A 90 27.413 -12.951 11.767 1.00 35.25 N ATOM 1313 CA ARG A 90 28.674 -13.036 11.041 1.00 32.22 C ATOM 1314 C ARG A 90 29.453 -14.283 11.449 1.00 20.11 C ATOM 1315 O ARG A 90 30.449 -14.197 12.168 1.00 72.50 O ATOM 1316 CB ARG A 90 29.519 -11.787 11.297 1.00 62.12 C ATOM 1317 CG ARG A 90 30.507 -11.482 10.183 1.00 50.23 C ATOM 1318 CD ARG A 90 31.887 -11.158 10.734 1.00 34.55 C ATOM 1319 NE ARG A 90 32.752 -10.554 9.725 1.00 11.01 N ATOM 1320 CZ ARG A 90 34.075 -10.499 9.829 1.00 61.31 C ATOM 1321 NH1 ARG A 90 34.682 -11.011 10.891 1.00 12.41 N ATOM 1322 NH2 ARG A 90 34.794 -9.933 8.868 1.00 3.24 N ATOM 0 H ARG A 90 27.496 -13.092 12.774 1.00 35.25 H new ATOM 0 HA ARG A 90 28.448 -13.102 9.977 1.00 32.22 H new ATOM 0 HB2 ARG A 90 28.857 -10.931 11.428 1.00 62.12 H new ATOM 0 HB3 ARG A 90 30.066 -11.914 12.232 1.00 62.12 H new ATOM 0 HG2 ARG A 90 30.574 -12.337 9.511 1.00 50.23 H new ATOM 0 HG3 ARG A 90 30.143 -10.641 9.593 1.00 50.23 H new ATOM 0 HD2 ARG A 90 31.789 -10.479 11.581 1.00 34.55 H new ATOM 0 HD3 ARG A 90 32.351 -12.070 11.110 1.00 34.55 H new ATOM 0 HE ARG A 90 32.317 -10.152 8.895 1.00 11.01 H new ATOM 0 HH11 ARG A 90 34.133 -11.449 11.631 1.00 12.41 H new ATOM 0 HH12 ARG A 90 35.698 -10.967 10.968 1.00 12.41 H new ATOM 0 HH21 ARG A 90 34.331 -9.540 8.049 1.00 3.24 H new ATOM 0 HH22 ARG A 90 35.810 -9.891 8.949 1.00 3.24 H new ATOM 1336 N ASP A 91 28.993 -15.440 10.986 1.00 54.10 N ATOM 1337 CA ASP A 91 29.646 -16.705 11.302 1.00 43.42 C ATOM 1338 C ASP A 91 29.573 -16.995 12.798 1.00 61.55 C ATOM 1339 O ASP A 91 30.586 -17.282 13.435 1.00 53.22 O ATOM 1340 CB ASP A 91 31.106 -16.677 10.846 1.00 51.41 C ATOM 1341 CG ASP A 91 31.303 -15.856 9.587 1.00 45.04 C ATOM 1342 OD1 ASP A 91 30.496 -16.008 8.646 1.00 32.10 O ATOM 1343 OD2 ASP A 91 32.265 -15.061 9.542 1.00 42.12 O ATOM 0 H ASP A 91 28.170 -15.528 10.390 1.00 54.10 H new ATOM 0 HA ASP A 91 29.122 -17.499 10.770 1.00 43.42 H new ATOM 0 HB2 ASP A 91 31.725 -16.267 11.644 1.00 51.41 H new ATOM 0 HB3 ASP A 91 31.448 -17.697 10.669 1.00 51.41 H new ATOM 1348 N GLY A 92 28.367 -16.919 13.352 1.00 10.31 N ATOM 1349 CA GLY A 92 28.184 -17.175 14.769 1.00 62.02 C ATOM 1350 C GLY A 92 28.058 -15.899 15.577 1.00 23.13 C ATOM 1351 O GLY A 92 27.561 -15.916 16.704 1.00 44.44 O ATOM 0 H GLY A 92 27.513 -16.685 12.845 1.00 10.31 H new ATOM 0 HA2 GLY A 92 27.290 -17.782 14.913 1.00 62.02 H new ATOM 0 HA3 GLY A 92 29.028 -17.756 15.142 1.00 62.02 H new ATOM 1355 N VAL A 93 28.511 -14.789 15.003 1.00 61.11 N ATOM 1356 CA VAL A 93 28.447 -13.498 15.678 1.00 63.32 C ATOM 1357 C VAL A 93 27.003 -13.046 15.864 1.00 23.33 C ATOM 1358 O VAL A 93 26.191 -13.130 14.943 1.00 43.23 O ATOM 1359 CB VAL A 93 29.215 -12.417 14.895 1.00 41.15 C ATOM 1360 CG1 VAL A 93 29.111 -11.073 15.598 1.00 3.55 C ATOM 1361 CG2 VAL A 93 30.670 -12.822 14.714 1.00 61.52 C ATOM 0 H VAL A 93 28.926 -14.758 14.072 1.00 61.11 H new ATOM 0 HA VAL A 93 28.912 -13.628 16.655 1.00 63.32 H new ATOM 0 HB VAL A 93 28.764 -12.319 13.908 1.00 41.15 H new ATOM 0 HG11 VAL A 93 29.660 -10.322 15.030 1.00 3.55 H new ATOM 0 HG12 VAL A 93 28.064 -10.780 15.670 1.00 3.55 H new ATOM 0 HG13 VAL A 93 29.535 -11.152 16.599 1.00 3.55 H new ATOM 0 HG21 VAL A 93 31.197 -12.046 14.159 1.00 61.52 H new ATOM 0 HG22 VAL A 93 31.136 -12.949 15.691 1.00 61.52 H new ATOM 0 HG23 VAL A 93 30.720 -13.761 14.163 1.00 61.52 H new ATOM 1371 N VAL A 94 26.689 -12.566 17.063 1.00 24.45 N ATOM 1372 CA VAL A 94 25.343 -12.099 17.371 1.00 20.04 C ATOM 1373 C VAL A 94 25.326 -10.594 17.616 1.00 61.32 C ATOM 1374 O VAL A 94 25.890 -10.108 18.595 1.00 23.14 O ATOM 1375 CB VAL A 94 24.769 -12.815 18.608 1.00 24.44 C ATOM 1376 CG1 VAL A 94 23.395 -12.264 18.955 1.00 30.04 C ATOM 1377 CG2 VAL A 94 24.707 -14.317 18.373 1.00 54.15 C ATOM 0 H VAL A 94 27.349 -12.490 17.837 1.00 24.45 H new ATOM 0 HA VAL A 94 24.722 -12.331 16.505 1.00 20.04 H new ATOM 0 HB VAL A 94 25.432 -12.630 19.453 1.00 24.44 H new ATOM 0 HG11 VAL A 94 23.006 -12.782 19.831 1.00 30.04 H new ATOM 0 HG12 VAL A 94 23.474 -11.198 19.169 1.00 30.04 H new ATOM 0 HG13 VAL A 94 22.719 -12.416 18.114 1.00 30.04 H new ATOM 0 HG21 VAL A 94 24.299 -14.807 19.257 1.00 54.15 H new ATOM 0 HG22 VAL A 94 24.067 -14.525 17.515 1.00 54.15 H new ATOM 0 HG23 VAL A 94 25.710 -14.696 18.178 1.00 54.15 H new ATOM 1387 N MET A 95 24.675 -9.862 16.718 1.00 14.14 N ATOM 1388 CA MET A 95 24.583 -8.411 16.838 1.00 74.42 C ATOM 1389 C MET A 95 23.230 -7.910 16.343 1.00 54.11 C ATOM 1390 O MET A 95 22.540 -8.597 15.590 1.00 61.14 O ATOM 1391 CB MET A 95 25.708 -7.741 16.048 1.00 42.12 C ATOM 1392 CG MET A 95 26.044 -6.341 16.537 1.00 33.40 C ATOM 1393 SD MET A 95 26.771 -6.338 18.187 1.00 61.11 S ATOM 1394 CE MET A 95 28.512 -6.478 17.790 1.00 40.33 C ATOM 0 H MET A 95 24.204 -10.249 15.900 1.00 14.14 H new ATOM 0 HA MET A 95 24.684 -8.151 17.892 1.00 74.42 H new ATOM 0 HB2 MET A 95 26.602 -8.362 16.107 1.00 42.12 H new ATOM 0 HB3 MET A 95 25.423 -7.691 14.997 1.00 42.12 H new ATOM 0 HG2 MET A 95 26.737 -5.873 15.838 1.00 33.40 H new ATOM 0 HG3 MET A 95 25.138 -5.735 16.542 1.00 33.40 H new ATOM 0 HE1 MET A 95 29.095 -6.489 18.711 1.00 40.33 H new ATOM 0 HE2 MET A 95 28.686 -7.402 17.239 1.00 40.33 H new ATOM 0 HE3 MET A 95 28.815 -5.628 17.179 1.00 40.33 H new ATOM 1404 N SER A 96 22.856 -6.709 16.772 1.00 51.54 N ATOM 1405 CA SER A 96 21.583 -6.117 16.375 1.00 23.21 C ATOM 1406 C SER A 96 21.802 -4.941 15.428 1.00 23.31 C ATOM 1407 O SER A 96 22.687 -4.113 15.643 1.00 31.33 O ATOM 1408 CB SER A 96 20.805 -5.655 17.609 1.00 61.24 C ATOM 1409 OG SER A 96 21.564 -4.736 18.375 1.00 33.25 O ATOM 0 H SER A 96 23.416 -6.126 17.394 1.00 51.54 H new ATOM 0 HA SER A 96 21.004 -6.878 15.852 1.00 23.21 H new ATOM 0 HB2 SER A 96 19.869 -5.190 17.300 1.00 61.24 H new ATOM 0 HB3 SER A 96 20.545 -6.517 18.223 1.00 61.24 H new ATOM 0 HG SER A 96 21.045 -4.454 19.157 1.00 33.25 H new ATOM 1415 N ALA A 97 20.989 -4.876 14.379 1.00 45.53 N ATOM 1416 CA ALA A 97 21.092 -3.801 13.399 1.00 10.02 C ATOM 1417 C ALA A 97 19.712 -3.342 12.941 1.00 33.30 C ATOM 1418 O ALA A 97 18.811 -4.157 12.736 1.00 42.14 O ATOM 1419 CB ALA A 97 21.923 -4.251 12.207 1.00 24.10 C ATOM 0 H ALA A 97 20.252 -5.554 14.186 1.00 45.53 H new ATOM 0 HA ALA A 97 21.588 -2.955 13.875 1.00 10.02 H new ATOM 0 HB1 ALA A 97 21.991 -3.439 11.484 1.00 24.10 H new ATOM 0 HB2 ALA A 97 22.924 -4.523 12.543 1.00 24.10 H new ATOM 0 HB3 ALA A 97 21.450 -5.115 11.739 1.00 24.10 H new ATOM 1425 N THR A 98 19.551 -2.032 12.783 1.00 72.12 N ATOM 1426 CA THR A 98 18.280 -1.465 12.351 1.00 53.21 C ATOM 1427 C THR A 98 18.270 -1.219 10.846 1.00 22.05 C ATOM 1428 O THR A 98 19.198 -0.621 10.300 1.00 15.32 O ATOM 1429 CB THR A 98 17.980 -0.140 13.078 1.00 74.41 C ATOM 1430 OG1 THR A 98 18.004 -0.343 14.495 1.00 35.22 O ATOM 1431 CG2 THR A 98 16.624 0.410 12.662 1.00 33.11 C ATOM 0 H THR A 98 20.285 -1.344 12.948 1.00 72.12 H new ATOM 0 HA THR A 98 17.508 -2.192 12.603 1.00 53.21 H new ATOM 0 HB THR A 98 18.748 0.583 12.802 1.00 74.41 H new ATOM 0 HG1 THR A 98 17.814 0.504 14.950 1.00 35.22 H new ATOM 0 HG21 THR A 98 16.434 1.346 13.188 1.00 33.11 H new ATOM 0 HG22 THR A 98 16.619 0.591 11.587 1.00 33.11 H new ATOM 0 HG23 THR A 98 15.846 -0.312 12.912 1.00 33.11 H new ATOM 1439 N ILE A 99 17.217 -1.683 10.182 1.00 22.45 N ATOM 1440 CA ILE A 99 17.087 -1.512 8.741 1.00 43.32 C ATOM 1441 C ILE A 99 16.190 -0.325 8.407 1.00 34.03 C ATOM 1442 O ILE A 99 14.986 -0.352 8.663 1.00 73.22 O ATOM 1443 CB ILE A 99 16.517 -2.776 8.072 1.00 33.54 C ATOM 1444 CG1 ILE A 99 17.222 -4.025 8.607 1.00 14.34 C ATOM 1445 CG2 ILE A 99 16.661 -2.687 6.560 1.00 33.35 C ATOM 1446 CD1 ILE A 99 18.719 -4.012 8.392 1.00 32.21 C ATOM 0 H ILE A 99 16.441 -2.180 10.619 1.00 22.45 H new ATOM 0 HA ILE A 99 18.089 -1.328 8.354 1.00 43.32 H new ATOM 0 HB ILE A 99 15.456 -2.849 8.312 1.00 33.54 H new ATOM 0 HG12 ILE A 99 17.017 -4.119 9.673 1.00 14.34 H new ATOM 0 HG13 ILE A 99 16.801 -4.906 8.122 1.00 14.34 H new ATOM 0 HG21 ILE A 99 16.253 -3.588 6.102 1.00 33.35 H new ATOM 0 HG22 ILE A 99 16.118 -1.816 6.193 1.00 33.35 H new ATOM 0 HG23 ILE A 99 17.715 -2.593 6.300 1.00 33.35 H new ATOM 0 HD11 ILE A 99 19.152 -4.927 8.796 1.00 32.21 H new ATOM 0 HD12 ILE A 99 18.933 -3.949 7.325 1.00 32.21 H new ATOM 0 HD13 ILE A 99 19.152 -3.151 8.900 1.00 32.21 H new ATOM 1458 N VAL A 100 16.784 0.716 7.833 1.00 54.31 N ATOM 1459 CA VAL A 100 16.038 1.913 7.461 1.00 74.51 C ATOM 1460 C VAL A 100 15.882 2.015 5.948 1.00 74.52 C ATOM 1461 O VAL A 100 16.709 2.621 5.267 1.00 15.40 O ATOM 1462 CB VAL A 100 16.726 3.188 7.982 1.00 1.01 C ATOM 1463 CG1 VAL A 100 16.497 3.345 9.478 1.00 45.33 C ATOM 1464 CG2 VAL A 100 18.213 3.159 7.662 1.00 51.32 C ATOM 0 H VAL A 100 17.780 0.755 7.615 1.00 54.31 H new ATOM 0 HA VAL A 100 15.053 1.827 7.920 1.00 74.51 H new ATOM 0 HB VAL A 100 16.286 4.049 7.479 1.00 1.01 H new ATOM 0 HG11 VAL A 100 16.991 4.251 9.828 1.00 45.33 H new ATOM 0 HG12 VAL A 100 15.428 3.414 9.677 1.00 45.33 H new ATOM 0 HG13 VAL A 100 16.909 2.482 10.002 1.00 45.33 H new ATOM 0 HG21 VAL A 100 18.684 4.068 8.037 1.00 51.32 H new ATOM 0 HG22 VAL A 100 18.670 2.291 8.136 1.00 51.32 H new ATOM 0 HG23 VAL A 100 18.352 3.098 6.583 1.00 51.32 H new ATOM 1474 N VAL A 101 14.815 1.417 5.427 1.00 72.32 N ATOM 1475 CA VAL A 101 14.549 1.441 3.993 1.00 15.25 C ATOM 1476 C VAL A 101 13.640 2.608 3.623 1.00 10.12 C ATOM 1477 O VAL A 101 12.463 2.630 3.981 1.00 60.12 O ATOM 1478 CB VAL A 101 13.897 0.128 3.521 1.00 22.20 C ATOM 1479 CG1 VAL A 101 13.449 0.245 2.072 1.00 24.31 C ATOM 1480 CG2 VAL A 101 14.859 -1.037 3.698 1.00 23.20 C ATOM 0 H VAL A 101 14.121 0.910 5.976 1.00 72.32 H new ATOM 0 HA VAL A 101 15.511 1.560 3.494 1.00 15.25 H new ATOM 0 HB VAL A 101 13.016 -0.061 4.134 1.00 22.20 H new ATOM 0 HG11 VAL A 101 12.991 -0.692 1.756 1.00 24.31 H new ATOM 0 HG12 VAL A 101 12.723 1.053 1.980 1.00 24.31 H new ATOM 0 HG13 VAL A 101 14.312 0.458 1.441 1.00 24.31 H new ATOM 0 HG21 VAL A 101 14.382 -1.957 3.360 1.00 23.20 H new ATOM 0 HG22 VAL A 101 15.760 -0.858 3.111 1.00 23.20 H new ATOM 0 HG23 VAL A 101 15.125 -1.132 4.751 1.00 23.20 H new ATOM 1490 N GLY A 102 14.195 3.578 2.903 1.00 2.21 N ATOM 1491 CA GLY A 102 13.421 4.736 2.495 1.00 34.25 C ATOM 1492 C GLY A 102 13.272 4.833 0.990 1.00 0.11 C ATOM 1493 O GLY A 102 14.234 5.130 0.283 1.00 5.45 O ATOM 0 H GLY A 102 15.167 3.583 2.595 1.00 2.21 H new ATOM 0 HA2 GLY A 102 12.433 4.688 2.952 1.00 34.25 H new ATOM 0 HA3 GLY A 102 13.902 5.640 2.868 1.00 34.25 H new ATOM 1497 N GLU A 103 12.063 4.580 0.499 1.00 51.43 N ATOM 1498 CA GLU A 103 11.794 4.639 -0.933 1.00 75.12 C ATOM 1499 C GLU A 103 11.327 6.033 -1.343 1.00 4.14 C ATOM 1500 O GLU A 103 12.076 6.796 -1.955 1.00 63.40 O ATOM 1501 CB GLU A 103 10.736 3.602 -1.319 1.00 2.15 C ATOM 1502 CG GLU A 103 11.156 2.170 -1.033 1.00 72.12 C ATOM 1503 CD GLU A 103 10.400 1.162 -1.877 1.00 64.50 C ATOM 1504 OE1 GLU A 103 9.490 1.578 -2.624 1.00 70.40 O ATOM 1505 OE2 GLU A 103 10.719 -0.043 -1.790 1.00 51.35 O ATOM 0 H GLU A 103 11.255 4.333 1.071 1.00 51.43 H new ATOM 0 HA GLU A 103 12.722 4.416 -1.460 1.00 75.12 H new ATOM 0 HB2 GLU A 103 9.814 3.817 -0.778 1.00 2.15 H new ATOM 0 HB3 GLU A 103 10.512 3.701 -2.381 1.00 2.15 H new ATOM 0 HG2 GLU A 103 12.225 2.065 -1.218 1.00 72.12 H new ATOM 0 HG3 GLU A 103 10.992 1.951 0.022 1.00 72.12 H new ATOM 1512 N LEU A 104 10.086 6.359 -1.001 1.00 11.32 N ATOM 1513 CA LEU A 104 9.518 7.661 -1.333 1.00 1.54 C ATOM 1514 C LEU A 104 10.218 8.774 -0.558 1.00 73.11 C ATOM 1515 O LEU A 104 11.100 8.513 0.259 1.00 14.44 O ATOM 1516 CB LEU A 104 8.019 7.678 -1.029 1.00 51.33 C ATOM 1517 CG LEU A 104 7.106 7.135 -2.129 1.00 35.03 C ATOM 1518 CD1 LEU A 104 7.114 8.060 -3.336 1.00 1.34 C ATOM 1519 CD2 LEU A 104 7.530 5.730 -2.529 1.00 23.42 C ATOM 0 H LEU A 104 9.453 5.740 -0.494 1.00 11.32 H new ATOM 0 HA LEU A 104 9.669 7.835 -2.399 1.00 1.54 H new ATOM 0 HB2 LEU A 104 7.846 7.099 -0.122 1.00 51.33 H new ATOM 0 HB3 LEU A 104 7.724 8.705 -0.813 1.00 51.33 H new ATOM 0 HG LEU A 104 6.089 7.089 -1.740 1.00 35.03 H new ATOM 0 HD11 LEU A 104 6.459 7.657 -4.108 1.00 1.34 H new ATOM 0 HD12 LEU A 104 6.761 9.048 -3.040 1.00 1.34 H new ATOM 0 HD13 LEU A 104 8.128 8.140 -3.727 1.00 1.34 H new ATOM 0 HD21 LEU A 104 6.869 5.360 -3.313 1.00 23.42 H new ATOM 0 HD22 LEU A 104 8.555 5.751 -2.899 1.00 23.42 H new ATOM 0 HD23 LEU A 104 7.470 5.071 -1.663 1.00 23.42 H new ATOM 1531 N GLU A 105 9.816 10.014 -0.821 1.00 21.34 N ATOM 1532 CA GLU A 105 10.404 11.165 -0.147 1.00 3.24 C ATOM 1533 C GLU A 105 11.925 11.148 -0.267 1.00 64.30 C ATOM 1534 O GLU A 105 12.470 10.860 -1.332 1.00 50.44 O ATOM 1535 CB GLU A 105 9.999 11.183 1.329 1.00 73.33 C ATOM 1536 CG GLU A 105 9.732 12.577 1.870 1.00 14.10 C ATOM 1537 CD GLU A 105 8.295 12.763 2.320 1.00 44.24 C ATOM 1538 OE1 GLU A 105 7.383 12.349 1.574 1.00 12.23 O ATOM 1539 OE2 GLU A 105 8.084 13.322 3.416 1.00 40.52 O ATOM 0 H GLU A 105 9.087 10.246 -1.495 1.00 21.34 H new ATOM 0 HA GLU A 105 10.028 12.067 -0.631 1.00 3.24 H new ATOM 0 HB2 GLU A 105 9.104 10.575 1.459 1.00 73.33 H new ATOM 0 HB3 GLU A 105 10.789 10.718 1.919 1.00 73.33 H new ATOM 0 HG2 GLU A 105 10.400 12.771 2.709 1.00 14.10 H new ATOM 0 HG3 GLU A 105 9.966 13.312 1.100 1.00 14.10 H new TER 1546 GLU A 105