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 3 THR OG1 : rot 47:sc= 0.0171 USER MOD Set 1.2: A 35 SER OG : rot -110:sc= -0.474 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 CYS SG : rot -122:sc= 0.722 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.206 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 THR OG1 : rot -34:sc= 0.967 USER MOD Single : A 30 GLN : amide:sc= -5.27! C(o=-5.3!,f=-5.2!) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 119:sc= -0.176 USER MOD Single : A 36 ASN : amide:sc= -2.77 K(o=-2.8,f=-5.8!) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= 0.0968 K(o=0.097,f=-1.9!) USER MOD Single : A 62 TYR OH : rot 180:sc= -0.818 USER MOD Single : A 63 THR OG1 : rot 53:sc= 0.111 USER MOD Single : A 65 THR OG1 : rot -170:sc= -0.0642 USER MOD Single : A 71 ASN : amide:sc= -1.54 K(o=-1.5,f=-0.65) USER MOD Single : A 72 THR OG1 : rot 73:sc= 0.61 USER MOD Single : A 77 HIS : no HD1:sc= -1.02 K(o=-1,f=-0.022) 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 -39:sc= 1.2 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 1.422 -0.648 0.754 1.00 13.41 N ATOM 2 CA PRO A 1 1.985 -0.514 -0.593 1.00 24.15 C ATOM 3 C PRO A 1 1.754 -1.758 -1.444 1.00 23.14 C ATOM 4 O PRO A 1 1.249 -2.771 -0.957 1.00 40.30 O ATOM 5 CB PRO A 1 3.481 -0.314 -0.333 1.00 34.10 C ATOM 6 CG PRO A 1 3.725 -0.957 0.989 1.00 50.43 C ATOM 7 CD PRO A 1 2.466 -0.755 1.786 1.00 4.54 C ATOM 0 H2 PRO A 1 0.825 -1.474 0.790 1.00 13.41 H new ATOM 0 H3 PRO A 1 0.829 0.158 0.955 1.00 13.41 H new ATOM 0 HA PRO A 1 1.522 0.301 -1.150 1.00 24.15 H new ATOM 0 HB2 PRO A 1 4.084 -0.776 -1.115 1.00 34.10 H new ATOM 0 HB3 PRO A 1 3.741 0.744 -0.313 1.00 34.10 H new ATOM 0 HG2 PRO A 1 3.947 -2.018 0.872 1.00 50.43 H new ATOM 0 HG3 PRO A 1 4.581 -0.506 1.491 1.00 50.43 H new ATOM 0 HD2 PRO A 1 2.279 -1.590 2.461 1.00 4.54 H new ATOM 0 HD3 PRO A 1 2.519 0.145 2.399 1.00 4.54 H new ATOM 15 N LEU A 2 2.127 -1.676 -2.716 1.00 21.30 N ATOM 16 CA LEU A 2 1.961 -2.797 -3.635 1.00 51.45 C ATOM 17 C LEU A 2 3.054 -2.795 -4.699 1.00 24.11 C ATOM 18 O LEU A 2 3.604 -1.747 -5.039 1.00 3.11 O ATOM 19 CB LEU A 2 0.585 -2.735 -4.302 1.00 64.01 C ATOM 20 CG LEU A 2 -0.075 -4.081 -4.604 1.00 41.31 C ATOM 21 CD1 LEU A 2 -0.778 -4.620 -3.368 1.00 10.40 C ATOM 22 CD2 LEU A 2 -1.054 -3.947 -5.761 1.00 52.51 C ATOM 0 H LEU A 2 2.546 -0.846 -3.135 1.00 21.30 H new ATOM 0 HA LEU A 2 2.039 -3.720 -3.061 1.00 51.45 H new ATOM 0 HB2 LEU A 2 -0.083 -2.161 -3.659 1.00 64.01 H new ATOM 0 HB3 LEU A 2 0.681 -2.182 -5.236 1.00 64.01 H new ATOM 0 HG LEU A 2 0.702 -4.789 -4.892 1.00 41.31 H new ATOM 0 HD11 LEU A 2 -1.242 -5.578 -3.602 1.00 10.40 H new ATOM 0 HD12 LEU A 2 -0.052 -4.754 -2.566 1.00 10.40 H new ATOM 0 HD13 LEU A 2 -1.545 -3.914 -3.049 1.00 10.40 H new ATOM 0 HD21 LEU A 2 -1.514 -4.914 -5.962 1.00 52.51 H new ATOM 0 HD22 LEU A 2 -1.827 -3.224 -5.501 1.00 52.51 H new ATOM 0 HD23 LEU A 2 -0.523 -3.606 -6.650 1.00 52.51 H new ATOM 34 N THR A 3 3.365 -3.977 -5.223 1.00 53.21 N ATOM 35 CA THR A 3 4.391 -4.112 -6.249 1.00 23.23 C ATOM 36 C THR A 3 3.885 -4.934 -7.428 1.00 70.04 C ATOM 37 O THR A 3 2.842 -5.582 -7.343 1.00 73.13 O ATOM 38 CB THR A 3 5.664 -4.773 -5.686 1.00 11.11 C ATOM 39 OG1 THR A 3 6.732 -4.666 -6.634 1.00 12.32 O ATOM 40 CG2 THR A 3 5.414 -6.238 -5.359 1.00 40.53 C ATOM 0 H THR A 3 2.920 -4.855 -4.953 1.00 53.21 H new ATOM 0 HA THR A 3 4.632 -3.105 -6.589 1.00 23.23 H new ATOM 0 HB THR A 3 5.940 -4.254 -4.768 1.00 11.11 H new ATOM 0 HG1 THR A 3 6.777 -3.748 -6.974 1.00 12.32 H new ATOM 0 HG21 THR A 3 6.327 -6.683 -4.963 1.00 40.53 H new ATOM 0 HG22 THR A 3 4.621 -6.315 -4.615 1.00 40.53 H new ATOM 0 HG23 THR A 3 5.115 -6.767 -6.264 1.00 40.53 H new ATOM 48 N ARG A 4 4.630 -4.903 -8.528 1.00 64.53 N ATOM 49 CA ARG A 4 4.256 -5.646 -9.726 1.00 10.21 C ATOM 50 C ARG A 4 4.938 -7.010 -9.755 1.00 61.42 C ATOM 51 O ARG A 4 5.939 -7.246 -9.078 1.00 61.11 O ATOM 52 CB ARG A 4 4.626 -4.852 -10.980 1.00 54.12 C ATOM 53 CG ARG A 4 3.468 -4.055 -11.560 1.00 61.40 C ATOM 54 CD ARG A 4 3.806 -3.502 -12.936 1.00 23.34 C ATOM 55 NE ARG A 4 2.613 -3.079 -13.664 1.00 22.22 N ATOM 56 CZ ARG A 4 2.614 -2.758 -14.953 1.00 3.54 C ATOM 57 NH1 ARG A 4 3.740 -2.811 -15.652 1.00 13.14 N ATOM 58 NH2 ARG A 4 1.488 -2.382 -15.545 1.00 11.10 N ATOM 0 H ARG A 4 5.496 -4.371 -8.615 1.00 64.53 H new ATOM 0 HA ARG A 4 3.177 -5.799 -9.706 1.00 10.21 H new ATOM 0 HB2 ARG A 4 5.442 -4.170 -10.740 1.00 54.12 H new ATOM 0 HB3 ARG A 4 4.999 -5.540 -11.739 1.00 54.12 H new ATOM 0 HG2 ARG A 4 2.586 -4.691 -11.629 1.00 61.40 H new ATOM 0 HG3 ARG A 4 3.217 -3.234 -10.888 1.00 61.40 H new ATOM 0 HD2 ARG A 4 4.485 -2.656 -12.830 1.00 23.34 H new ATOM 0 HD3 ARG A 4 4.332 -4.262 -13.513 1.00 23.34 H new ATOM 0 HE ARG A 4 1.731 -3.027 -13.155 1.00 22.22 H new ATOM 0 HH11 ARG A 4 4.608 -3.099 -15.200 1.00 13.14 H new ATOM 0 HH12 ARG A 4 3.738 -2.564 -16.642 1.00 13.14 H new ATOM 0 HH21 ARG A 4 0.620 -2.339 -15.010 1.00 11.10 H new ATOM 0 HH22 ARG A 4 1.490 -2.136 -16.535 1.00 11.10 H new ATOM 72 N PRO A 5 4.385 -7.932 -10.558 1.00 13.25 N ATOM 73 CA PRO A 5 4.923 -9.288 -10.694 1.00 61.34 C ATOM 74 C PRO A 5 6.260 -9.310 -11.428 1.00 73.22 C ATOM 75 O PRO A 5 6.329 -9.676 -12.602 1.00 33.43 O ATOM 76 CB PRO A 5 3.852 -10.014 -11.512 1.00 61.24 C ATOM 77 CG PRO A 5 3.164 -8.936 -12.277 1.00 22.40 C ATOM 78 CD PRO A 5 3.191 -7.720 -11.393 1.00 71.13 C ATOM 0 HA PRO A 5 5.123 -9.746 -9.725 1.00 61.34 H new ATOM 0 HB2 PRO A 5 4.297 -10.752 -12.180 1.00 61.24 H new ATOM 0 HB3 PRO A 5 3.155 -10.548 -10.866 1.00 61.24 H new ATOM 0 HG2 PRO A 5 3.672 -8.743 -13.222 1.00 22.40 H new ATOM 0 HG3 PRO A 5 2.140 -9.221 -12.518 1.00 22.40 H new ATOM 0 HD2 PRO A 5 3.266 -6.802 -11.975 1.00 71.13 H new ATOM 0 HD3 PRO A 5 2.287 -7.642 -10.789 1.00 71.13 H new ATOM 86 N TYR A 6 7.319 -8.917 -10.730 1.00 11.40 N ATOM 87 CA TYR A 6 8.654 -8.889 -11.316 1.00 73.32 C ATOM 88 C TYR A 6 9.629 -9.721 -10.489 1.00 61.32 C ATOM 89 O TYR A 6 9.757 -9.529 -9.279 1.00 43.23 O ATOM 90 CB TYR A 6 9.157 -7.449 -11.423 1.00 4.03 C ATOM 91 CG TYR A 6 10.111 -7.225 -12.575 1.00 13.54 C ATOM 92 CD1 TYR A 6 9.686 -7.362 -13.890 1.00 72.24 C ATOM 93 CD2 TYR A 6 11.436 -6.876 -12.348 1.00 3.25 C ATOM 94 CE1 TYR A 6 10.553 -7.159 -14.946 1.00 44.12 C ATOM 95 CE2 TYR A 6 12.310 -6.669 -13.397 1.00 64.00 C ATOM 96 CZ TYR A 6 11.864 -6.812 -14.694 1.00 44.14 C ATOM 97 OH TYR A 6 12.732 -6.608 -15.743 1.00 24.24 O ATOM 0 H TYR A 6 7.279 -8.613 -9.757 1.00 11.40 H new ATOM 0 HA TYR A 6 8.594 -9.320 -12.315 1.00 73.32 H new ATOM 0 HB2 TYR A 6 8.302 -6.782 -11.535 1.00 4.03 H new ATOM 0 HB3 TYR A 6 9.654 -7.177 -10.492 1.00 4.03 H new ATOM 0 HD1 TYR A 6 8.660 -7.632 -14.091 1.00 72.24 H new ATOM 0 HD2 TYR A 6 11.789 -6.765 -11.333 1.00 3.25 H new ATOM 0 HE1 TYR A 6 10.207 -7.271 -15.963 1.00 44.12 H new ATOM 0 HE2 TYR A 6 13.337 -6.397 -13.203 1.00 64.00 H new ATOM 0 HH TYR A 6 13.616 -6.369 -15.394 1.00 24.24 H new ATOM 107 N LEU A 7 10.315 -10.647 -11.151 1.00 4.44 N ATOM 108 CA LEU A 7 11.281 -11.509 -10.478 1.00 61.15 C ATOM 109 C LEU A 7 12.695 -11.241 -10.984 1.00 40.00 C ATOM 110 O LEU A 7 12.968 -11.344 -12.179 1.00 52.52 O ATOM 111 CB LEU A 7 10.920 -12.979 -10.696 1.00 74.43 C ATOM 112 CG LEU A 7 10.583 -13.382 -12.132 1.00 73.14 C ATOM 113 CD1 LEU A 7 11.317 -14.658 -12.515 1.00 53.12 C ATOM 114 CD2 LEU A 7 9.080 -13.559 -12.298 1.00 44.44 C ATOM 0 H LEU A 7 10.220 -10.820 -12.152 1.00 4.44 H new ATOM 0 HA LEU A 7 11.248 -11.287 -9.411 1.00 61.15 H new ATOM 0 HB2 LEU A 7 11.754 -13.592 -10.354 1.00 74.43 H new ATOM 0 HB3 LEU A 7 10.067 -13.221 -10.062 1.00 74.43 H new ATOM 0 HG LEU A 7 10.911 -12.585 -12.799 1.00 73.14 H new ATOM 0 HD11 LEU A 7 11.065 -14.929 -13.540 1.00 53.12 H new ATOM 0 HD12 LEU A 7 12.392 -14.497 -12.436 1.00 53.12 H new ATOM 0 HD13 LEU A 7 11.021 -15.464 -11.843 1.00 53.12 H new ATOM 0 HD21 LEU A 7 8.859 -13.846 -13.326 1.00 44.44 H new ATOM 0 HD22 LEU A 7 8.728 -14.337 -11.621 1.00 44.44 H new ATOM 0 HD23 LEU A 7 8.575 -12.621 -12.066 1.00 44.44 H new ATOM 126 N GLY A 8 13.592 -10.899 -10.064 1.00 41.32 N ATOM 127 CA GLY A 8 14.968 -10.623 -10.436 1.00 33.42 C ATOM 128 C GLY A 8 15.960 -11.431 -9.624 1.00 25.23 C ATOM 129 O GLY A 8 17.078 -10.981 -9.370 1.00 62.33 O ATOM 0 H GLY A 8 13.391 -10.808 -9.068 1.00 41.32 H new ATOM 0 HA2 GLY A 8 15.106 -10.842 -11.495 1.00 33.42 H new ATOM 0 HA3 GLY A 8 15.172 -9.561 -10.301 1.00 33.42 H new ATOM 133 N PHE A 9 15.552 -12.627 -9.213 1.00 21.23 N ATOM 134 CA PHE A 9 16.413 -13.499 -8.422 1.00 1.22 C ATOM 135 C PHE A 9 16.141 -14.966 -8.740 1.00 65.13 C ATOM 136 O PHE A 9 15.210 -15.290 -9.477 1.00 61.23 O ATOM 137 CB PHE A 9 16.201 -13.242 -6.928 1.00 40.34 C ATOM 138 CG PHE A 9 14.866 -13.709 -6.423 1.00 71.14 C ATOM 139 CD1 PHE A 9 14.779 -14.770 -5.536 1.00 54.33 C ATOM 140 CD2 PHE A 9 13.698 -13.088 -6.836 1.00 42.12 C ATOM 141 CE1 PHE A 9 13.552 -15.202 -5.069 1.00 74.12 C ATOM 142 CE2 PHE A 9 12.469 -13.516 -6.372 1.00 55.43 C ATOM 143 CZ PHE A 9 12.395 -14.575 -5.489 1.00 10.32 C ATOM 0 H PHE A 9 14.630 -13.015 -9.415 1.00 21.23 H new ATOM 0 HA PHE A 9 17.448 -13.275 -8.679 1.00 1.22 H new ATOM 0 HB2 PHE A 9 16.989 -13.743 -6.366 1.00 40.34 H new ATOM 0 HB3 PHE A 9 16.301 -12.174 -6.733 1.00 40.34 H new ATOM 0 HD1 PHE A 9 15.680 -15.265 -5.206 1.00 54.33 H new ATOM 0 HD2 PHE A 9 13.749 -12.260 -7.528 1.00 42.12 H new ATOM 0 HE1 PHE A 9 13.498 -16.029 -4.376 1.00 74.12 H new ATOM 0 HE2 PHE A 9 11.566 -13.022 -6.700 1.00 55.43 H new ATOM 0 HZ PHE A 9 11.435 -14.912 -5.128 1.00 10.32 H new ATOM 153 N ARG A 10 16.962 -15.849 -8.180 1.00 40.30 N ATOM 154 CA ARG A 10 16.812 -17.281 -8.405 1.00 62.32 C ATOM 155 C ARG A 10 16.423 -17.997 -7.115 1.00 10.21 C ATOM 156 O ARG A 10 16.946 -17.693 -6.042 1.00 74.33 O ATOM 157 CB ARG A 10 18.112 -17.871 -8.956 1.00 32.31 C ATOM 158 CG ARG A 10 18.255 -17.729 -10.462 1.00 72.34 C ATOM 159 CD ARG A 10 18.941 -18.941 -11.073 1.00 43.14 C ATOM 160 NE ARG A 10 18.681 -19.053 -12.506 1.00 74.10 N ATOM 161 CZ ARG A 10 19.252 -19.962 -13.288 1.00 32.41 C ATOM 162 NH1 ARG A 10 20.111 -20.834 -12.778 1.00 71.23 N ATOM 163 NH2 ARG A 10 18.963 -20.001 -14.583 1.00 24.34 N ATOM 0 H ARG A 10 17.738 -15.597 -7.567 1.00 40.30 H new ATOM 0 HA ARG A 10 16.016 -17.427 -9.135 1.00 62.32 H new ATOM 0 HB2 ARG A 10 18.957 -17.382 -8.472 1.00 32.31 H new ATOM 0 HB3 ARG A 10 18.162 -18.928 -8.693 1.00 32.31 H new ATOM 0 HG2 ARG A 10 17.270 -17.602 -10.912 1.00 72.34 H new ATOM 0 HG3 ARG A 10 18.829 -16.831 -10.691 1.00 72.34 H new ATOM 0 HD2 ARG A 10 20.016 -18.873 -10.904 1.00 43.14 H new ATOM 0 HD3 ARG A 10 18.596 -19.845 -10.570 1.00 43.14 H new ATOM 0 HE ARG A 10 18.025 -18.397 -12.929 1.00 74.10 H new ATOM 0 HH11 ARG A 10 20.334 -20.808 -11.783 1.00 71.23 H new ATOM 0 HH12 ARG A 10 20.548 -21.531 -13.381 1.00 71.23 H new ATOM 0 HH21 ARG A 10 18.302 -19.332 -14.978 1.00 24.34 H new ATOM 0 HH22 ARG A 10 19.402 -20.700 -15.183 1.00 24.34 H new ATOM 177 N VAL A 11 15.501 -18.948 -7.227 1.00 22.05 N ATOM 178 CA VAL A 11 15.042 -19.707 -6.070 1.00 31.24 C ATOM 179 C VAL A 11 14.964 -21.197 -6.385 1.00 43.32 C ATOM 180 O VAL A 11 14.463 -21.593 -7.437 1.00 32.44 O ATOM 181 CB VAL A 11 13.660 -19.222 -5.592 1.00 62.04 C ATOM 182 CG1 VAL A 11 12.593 -19.548 -6.626 1.00 62.41 C ATOM 183 CG2 VAL A 11 13.315 -19.839 -4.245 1.00 45.22 C ATOM 0 H VAL A 11 15.057 -19.211 -8.107 1.00 22.05 H new ATOM 0 HA VAL A 11 15.771 -19.544 -5.276 1.00 31.24 H new ATOM 0 HB VAL A 11 13.696 -18.139 -5.471 1.00 62.04 H new ATOM 0 HG11 VAL A 11 11.624 -19.198 -6.271 1.00 62.41 H new ATOM 0 HG12 VAL A 11 12.835 -19.054 -7.567 1.00 62.41 H new ATOM 0 HG13 VAL A 11 12.555 -20.626 -6.782 1.00 62.41 H new ATOM 0 HG21 VAL A 11 12.336 -19.485 -3.923 1.00 45.22 H new ATOM 0 HG22 VAL A 11 13.297 -20.925 -4.336 1.00 45.22 H new ATOM 0 HG23 VAL A 11 14.065 -19.549 -3.509 1.00 45.22 H new ATOM 193 N ALA A 12 15.464 -22.017 -5.467 1.00 32.31 N ATOM 194 CA ALA A 12 15.449 -23.464 -5.646 1.00 12.21 C ATOM 195 C ALA A 12 14.758 -24.155 -4.475 1.00 51.31 C ATOM 196 O ALA A 12 15.167 -24.005 -3.324 1.00 14.54 O ATOM 197 CB ALA A 12 16.867 -23.990 -5.809 1.00 60.14 C ATOM 0 H ALA A 12 15.884 -21.704 -4.592 1.00 32.31 H new ATOM 0 HA ALA A 12 14.884 -23.688 -6.551 1.00 12.21 H new ATOM 0 HB1 ALA A 12 16.841 -25.072 -5.942 1.00 60.14 H new ATOM 0 HB2 ALA A 12 17.328 -23.528 -6.682 1.00 60.14 H new ATOM 0 HB3 ALA A 12 17.449 -23.748 -4.920 1.00 60.14 H new ATOM 203 N VAL A 13 13.708 -24.912 -4.777 1.00 12.12 N ATOM 204 CA VAL A 13 12.960 -25.626 -3.749 1.00 61.52 C ATOM 205 C VAL A 13 13.651 -26.933 -3.375 1.00 1.21 C ATOM 206 O VAL A 13 14.106 -27.678 -4.242 1.00 54.43 O ATOM 207 CB VAL A 13 11.523 -25.933 -4.211 1.00 41.34 C ATOM 208 CG1 VAL A 13 11.537 -26.703 -5.523 1.00 33.21 C ATOM 209 CG2 VAL A 13 10.772 -26.705 -3.138 1.00 14.14 C ATOM 0 H VAL A 13 13.356 -25.047 -5.725 1.00 12.12 H new ATOM 0 HA VAL A 13 12.922 -24.975 -2.876 1.00 61.52 H new ATOM 0 HB VAL A 13 11.004 -24.989 -4.377 1.00 41.34 H new ATOM 0 HG11 VAL A 13 10.513 -26.911 -5.834 1.00 33.21 H new ATOM 0 HG12 VAL A 13 12.035 -26.108 -6.289 1.00 33.21 H new ATOM 0 HG13 VAL A 13 12.073 -27.642 -5.388 1.00 33.21 H new ATOM 0 HG21 VAL A 13 9.759 -26.913 -3.481 1.00 14.14 H new ATOM 0 HG22 VAL A 13 11.287 -27.644 -2.938 1.00 14.14 H new ATOM 0 HG23 VAL A 13 10.731 -26.112 -2.225 1.00 14.14 H new ATOM 219 N GLY A 14 13.726 -27.205 -2.076 1.00 24.34 N ATOM 220 CA GLY A 14 14.363 -28.423 -1.609 1.00 3.23 C ATOM 221 C GLY A 14 14.106 -28.684 -0.138 1.00 24.12 C ATOM 222 O GLY A 14 13.143 -28.172 0.431 1.00 13.55 O ATOM 0 H GLY A 14 13.357 -26.604 -1.339 1.00 24.34 H new ATOM 0 HA2 GLY A 14 13.998 -29.267 -2.194 1.00 3.23 H new ATOM 0 HA3 GLY A 14 15.437 -28.357 -1.781 1.00 3.23 H new ATOM 226 N ARG A 15 14.969 -29.485 0.479 1.00 44.12 N ATOM 227 CA ARG A 15 14.829 -29.816 1.892 1.00 43.22 C ATOM 228 C ARG A 15 16.131 -29.553 2.643 1.00 0.13 C ATOM 229 O ARG A 15 17.219 -29.813 2.130 1.00 43.54 O ATOM 230 CB ARG A 15 14.420 -31.280 2.056 1.00 33.53 C ATOM 231 CG ARG A 15 13.124 -31.634 1.345 1.00 32.11 C ATOM 232 CD ARG A 15 11.988 -31.852 2.332 1.00 11.45 C ATOM 233 NE ARG A 15 11.702 -33.269 2.534 1.00 74.42 N ATOM 234 CZ ARG A 15 11.129 -34.041 1.617 1.00 63.15 C ATOM 235 NH1 ARG A 15 10.784 -33.534 0.441 1.00 64.52 N ATOM 236 NH2 ARG A 15 10.901 -35.323 1.874 1.00 3.43 N ATOM 0 H ARG A 15 15.772 -29.917 0.022 1.00 44.12 H new ATOM 0 HA ARG A 15 14.051 -29.179 2.314 1.00 43.22 H new ATOM 0 HB2 ARG A 15 15.219 -31.916 1.675 1.00 33.53 H new ATOM 0 HB3 ARG A 15 14.314 -31.502 3.118 1.00 33.53 H new ATOM 0 HG2 ARG A 15 12.858 -30.835 0.653 1.00 32.11 H new ATOM 0 HG3 ARG A 15 13.269 -32.536 0.750 1.00 32.11 H new ATOM 0 HD2 ARG A 15 12.245 -31.395 3.287 1.00 11.45 H new ATOM 0 HD3 ARG A 15 11.091 -31.350 1.969 1.00 11.45 H new ATOM 0 HE ARG A 15 11.956 -33.689 3.428 1.00 74.42 H new ATOM 0 HH11 ARG A 15 10.958 -32.550 0.239 1.00 64.52 H new ATOM 0 HH12 ARG A 15 10.344 -34.129 -0.261 1.00 64.52 H new ATOM 0 HH21 ARG A 15 11.166 -35.717 2.777 1.00 3.43 H new ATOM 0 HH22 ARG A 15 10.461 -35.914 1.169 1.00 3.43 H new ATOM 250 N ASP A 16 16.011 -29.036 3.861 1.00 31.32 N ATOM 251 CA ASP A 16 17.178 -28.739 4.684 1.00 15.40 C ATOM 252 C ASP A 16 17.426 -29.852 5.697 1.00 1.43 C ATOM 253 O ASP A 16 16.707 -30.850 5.727 1.00 55.22 O ATOM 254 CB ASP A 16 16.990 -27.405 5.409 1.00 42.34 C ATOM 255 CG ASP A 16 17.314 -26.216 4.526 1.00 44.24 C ATOM 256 OD1 ASP A 16 16.556 -25.224 4.563 1.00 74.33 O ATOM 257 OD2 ASP A 16 18.327 -26.276 3.798 1.00 23.30 O ATOM 0 H ASP A 16 15.118 -28.814 4.300 1.00 31.32 H new ATOM 0 HA ASP A 16 18.046 -28.669 4.029 1.00 15.40 H new ATOM 0 HB2 ASP A 16 15.960 -27.326 5.757 1.00 42.34 H new ATOM 0 HB3 ASP A 16 17.628 -27.382 6.293 1.00 42.34 H new ATOM 262 N SER A 17 18.450 -29.673 6.526 1.00 41.13 N ATOM 263 CA SER A 17 18.797 -30.664 7.537 1.00 31.24 C ATOM 264 C SER A 17 17.654 -30.849 8.531 1.00 72.53 C ATOM 265 O SER A 17 17.508 -31.912 9.135 1.00 1.21 O ATOM 266 CB SER A 17 20.068 -30.245 8.278 1.00 42.21 C ATOM 267 OG SER A 17 21.024 -31.291 8.284 1.00 73.30 O ATOM 0 H SER A 17 19.053 -28.851 6.517 1.00 41.13 H new ATOM 0 HA SER A 17 18.975 -31.614 7.033 1.00 31.24 H new ATOM 0 HB2 SER A 17 20.495 -29.361 7.804 1.00 42.21 H new ATOM 0 HB3 SER A 17 19.821 -29.969 9.303 1.00 42.21 H new ATOM 0 HG SER A 17 21.827 -30.997 8.762 1.00 73.30 H new ATOM 273 N SER A 18 16.845 -29.807 8.694 1.00 61.33 N ATOM 274 CA SER A 18 15.717 -29.852 9.616 1.00 33.32 C ATOM 275 C SER A 18 14.533 -30.585 8.992 1.00 64.44 C ATOM 276 O SER A 18 14.178 -31.685 9.412 1.00 30.55 O ATOM 277 CB SER A 18 15.300 -28.435 10.015 1.00 22.33 C ATOM 278 OG SER A 18 13.986 -28.420 10.545 1.00 72.23 O ATOM 0 H SER A 18 16.950 -28.921 8.199 1.00 61.33 H new ATOM 0 HA SER A 18 16.030 -30.396 10.507 1.00 33.32 H new ATOM 0 HB2 SER A 18 15.998 -28.042 10.754 1.00 22.33 H new ATOM 0 HB3 SER A 18 15.353 -27.779 9.146 1.00 22.33 H new ATOM 0 HG SER A 18 13.744 -27.504 10.794 1.00 72.23 H new ATOM 284 N GLY A 19 13.927 -29.966 7.983 1.00 33.24 N ATOM 285 CA GLY A 19 12.790 -30.573 7.316 1.00 32.34 C ATOM 286 C GLY A 19 11.528 -29.745 7.452 1.00 13.21 C ATOM 287 O GLY A 19 10.461 -30.273 7.768 1.00 22.51 O ATOM 0 H GLY A 19 14.203 -29.055 7.616 1.00 33.24 H new ATOM 0 HA2 GLY A 19 13.021 -30.706 6.259 1.00 32.34 H new ATOM 0 HA3 GLY A 19 12.616 -31.565 7.732 1.00 32.34 H new ATOM 291 N CYS A 20 11.648 -28.443 7.215 1.00 61.53 N ATOM 292 CA CYS A 20 10.508 -27.539 7.315 1.00 73.43 C ATOM 293 C CYS A 20 10.068 -27.064 5.934 1.00 72.43 C ATOM 294 O CYS A 20 9.260 -26.143 5.810 1.00 42.14 O ATOM 295 CB CYS A 20 10.859 -26.338 8.193 1.00 52.51 C ATOM 296 SG CYS A 20 10.159 -26.411 9.858 1.00 11.24 S ATOM 0 H CYS A 20 12.523 -27.990 6.952 1.00 61.53 H new ATOM 0 HA CYS A 20 9.682 -28.084 7.772 1.00 73.43 H new ATOM 0 HB2 CYS A 20 11.944 -26.262 8.270 1.00 52.51 H new ATOM 0 HB3 CYS A 20 10.510 -25.429 7.703 1.00 52.51 H new ATOM 0 HG CYS A 20 9.414 -25.366 10.062 1.00 11.24 H new ATOM 302 N THR A 21 10.606 -27.698 4.896 1.00 34.43 N ATOM 303 CA THR A 21 10.271 -27.339 3.524 1.00 62.30 C ATOM 304 C THR A 21 10.444 -25.843 3.290 1.00 50.04 C ATOM 305 O THR A 21 9.488 -25.073 3.392 1.00 62.04 O ATOM 306 CB THR A 21 8.825 -27.738 3.175 1.00 31.43 C ATOM 307 OG1 THR A 21 8.578 -29.089 3.581 1.00 21.30 O ATOM 308 CG2 THR A 21 8.570 -27.597 1.682 1.00 35.23 C ATOM 0 H THR A 21 11.276 -28.463 4.980 1.00 34.43 H new ATOM 0 HA THR A 21 10.957 -27.887 2.878 1.00 62.30 H new ATOM 0 HB THR A 21 8.148 -27.070 3.708 1.00 31.43 H new ATOM 0 HG1 THR A 21 7.656 -29.334 3.357 1.00 21.30 H new ATOM 0 HG21 THR A 21 7.542 -27.884 1.460 1.00 35.23 H new ATOM 0 HG22 THR A 21 8.730 -26.562 1.382 1.00 35.23 H new ATOM 0 HG23 THR A 21 9.254 -28.244 1.133 1.00 35.23 H new ATOM 316 N THR A 22 11.669 -25.436 2.974 1.00 45.42 N ATOM 317 CA THR A 22 11.968 -24.031 2.725 1.00 14.11 C ATOM 318 C THR A 22 12.829 -23.864 1.478 1.00 12.15 C ATOM 319 O THR A 22 13.521 -24.793 1.060 1.00 34.32 O ATOM 320 CB THR A 22 12.691 -23.389 3.924 1.00 34.24 C ATOM 321 OG1 THR A 22 13.288 -22.149 3.530 1.00 15.20 O ATOM 322 CG2 THR A 22 13.761 -24.321 4.473 1.00 14.00 C ATOM 0 H THR A 22 12.471 -26.060 2.884 1.00 45.42 H new ATOM 0 HA THR A 22 11.013 -23.527 2.574 1.00 14.11 H new ATOM 0 HB THR A 22 11.955 -23.205 4.707 1.00 34.24 H new ATOM 0 HG1 THR A 22 13.744 -21.747 4.298 1.00 15.20 H new ATOM 0 HG21 THR A 22 14.258 -23.846 5.319 1.00 14.00 H new ATOM 0 HG22 THR A 22 13.299 -25.253 4.800 1.00 14.00 H new ATOM 0 HG23 THR A 22 14.494 -24.533 3.694 1.00 14.00 H new ATOM 330 N LEU A 23 12.783 -22.674 0.889 1.00 62.53 N ATOM 331 CA LEU A 23 13.561 -22.385 -0.311 1.00 72.12 C ATOM 332 C LEU A 23 14.805 -21.571 0.029 1.00 20.23 C ATOM 333 O LEU A 23 14.844 -20.872 1.041 1.00 15.44 O ATOM 334 CB LEU A 23 12.704 -21.628 -1.328 1.00 4.25 C ATOM 335 CG LEU A 23 11.842 -22.488 -2.252 1.00 41.11 C ATOM 336 CD1 LEU A 23 11.030 -23.489 -1.446 1.00 31.42 C ATOM 337 CD2 LEU A 23 10.927 -21.612 -3.095 1.00 60.15 C ATOM 0 H LEU A 23 12.216 -21.894 1.222 1.00 62.53 H new ATOM 0 HA LEU A 23 13.878 -23.333 -0.746 1.00 72.12 H new ATOM 0 HB2 LEU A 23 12.050 -20.945 -0.785 1.00 4.25 H new ATOM 0 HB3 LEU A 23 13.363 -21.016 -1.944 1.00 4.25 H new ATOM 0 HG LEU A 23 12.501 -23.041 -2.921 1.00 41.11 H new ATOM 0 HD11 LEU A 23 10.423 -24.092 -2.121 1.00 31.42 H new ATOM 0 HD12 LEU A 23 11.704 -24.138 -0.887 1.00 31.42 H new ATOM 0 HD13 LEU A 23 10.380 -22.956 -0.752 1.00 31.42 H new ATOM 0 HD21 LEU A 23 10.321 -22.241 -3.747 1.00 60.15 H new ATOM 0 HD22 LEU A 23 10.275 -21.032 -2.442 1.00 60.15 H new ATOM 0 HD23 LEU A 23 11.529 -20.935 -3.701 1.00 60.15 H new ATOM 349 N SER A 24 15.820 -21.666 -0.824 1.00 32.01 N ATOM 350 CA SER A 24 17.067 -20.940 -0.613 1.00 15.33 C ATOM 351 C SER A 24 17.334 -19.973 -1.763 1.00 33.34 C ATOM 352 O SER A 24 17.084 -20.291 -2.926 1.00 21.43 O ATOM 353 CB SER A 24 18.234 -21.918 -0.472 1.00 60.43 C ATOM 354 OG SER A 24 19.450 -21.231 -0.233 1.00 12.14 O ATOM 0 H SER A 24 15.803 -22.239 -1.668 1.00 32.01 H new ATOM 0 HA SER A 24 16.972 -20.365 0.308 1.00 15.33 H new ATOM 0 HB2 SER A 24 18.036 -22.609 0.347 1.00 60.43 H new ATOM 0 HB3 SER A 24 18.323 -22.516 -1.379 1.00 60.43 H new ATOM 0 HG SER A 24 20.180 -21.879 -0.145 1.00 12.14 H new ATOM 360 N ILE A 25 17.842 -18.792 -1.428 1.00 65.22 N ATOM 361 CA ILE A 25 18.145 -17.779 -2.432 1.00 33.40 C ATOM 362 C ILE A 25 19.613 -17.831 -2.840 1.00 60.24 C ATOM 363 O ILE A 25 20.501 -17.896 -1.991 1.00 61.10 O ATOM 364 CB ILE A 25 17.815 -16.364 -1.921 1.00 23.41 C ATOM 365 CG1 ILE A 25 16.457 -16.356 -1.216 1.00 62.42 C ATOM 366 CG2 ILE A 25 17.827 -15.370 -3.072 1.00 13.41 C ATOM 367 CD1 ILE A 25 15.319 -16.832 -2.092 1.00 41.40 C ATOM 0 H ILE A 25 18.052 -18.513 -0.470 1.00 65.22 H new ATOM 0 HA ILE A 25 17.522 -17.998 -3.299 1.00 33.40 H new ATOM 0 HB ILE A 25 18.578 -16.066 -1.201 1.00 23.41 H new ATOM 0 HG12 ILE A 25 16.513 -16.989 -0.330 1.00 62.42 H new ATOM 0 HG13 ILE A 25 16.241 -15.345 -0.872 1.00 62.42 H new ATOM 0 HG21 ILE A 25 17.592 -14.374 -2.695 1.00 13.41 H new ATOM 0 HG22 ILE A 25 18.814 -15.360 -3.534 1.00 13.41 H new ATOM 0 HG23 ILE A 25 17.083 -15.662 -3.813 1.00 13.41 H new ATOM 0 HD11 ILE A 25 14.387 -16.800 -1.527 1.00 41.40 H new ATOM 0 HD12 ILE A 25 15.237 -16.185 -2.965 1.00 41.40 H new ATOM 0 HD13 ILE A 25 15.512 -17.855 -2.416 1.00 41.40 H new ATOM 379 N GLN A 26 19.860 -17.800 -4.146 1.00 72.30 N ATOM 380 CA GLN A 26 21.221 -17.843 -4.667 1.00 1.41 C ATOM 381 C GLN A 26 21.732 -16.438 -4.969 1.00 2.21 C ATOM 382 O GLN A 26 22.938 -16.195 -4.977 1.00 25.11 O ATOM 383 CB GLN A 26 21.280 -18.702 -5.931 1.00 34.22 C ATOM 384 CG GLN A 26 21.134 -20.191 -5.661 1.00 74.13 C ATOM 385 CD GLN A 26 20.190 -20.871 -6.634 1.00 10.50 C ATOM 386 OE1 GLN A 26 20.601 -21.321 -7.704 1.00 1.32 O ATOM 387 NE2 GLN A 26 18.916 -20.949 -6.267 1.00 2.51 N ATOM 0 H GLN A 26 19.136 -17.745 -4.862 1.00 72.30 H new ATOM 0 HA GLN A 26 21.861 -18.288 -3.905 1.00 1.41 H new ATOM 0 HB2 GLN A 26 20.491 -18.386 -6.613 1.00 34.22 H new ATOM 0 HB3 GLN A 26 22.229 -18.524 -6.437 1.00 34.22 H new ATOM 0 HG2 GLN A 26 22.114 -20.665 -5.720 1.00 74.13 H new ATOM 0 HG3 GLN A 26 20.770 -20.338 -4.644 1.00 74.13 H new ATOM 0 HE21 GLN A 26 18.619 -20.563 -5.371 1.00 2.51 H new ATOM 0 HE22 GLN A 26 18.235 -21.395 -6.881 1.00 2.51 H new ATOM 396 N GLU A 27 20.806 -15.517 -5.217 1.00 41.02 N ATOM 397 CA GLU A 27 21.165 -14.137 -5.521 1.00 55.41 C ATOM 398 C GLU A 27 20.576 -13.181 -4.487 1.00 24.45 C ATOM 399 O GLU A 27 20.073 -13.608 -3.447 1.00 53.42 O ATOM 400 CB GLU A 27 20.675 -13.755 -6.920 1.00 21.32 C ATOM 401 CG GLU A 27 21.722 -13.040 -7.757 1.00 60.00 C ATOM 402 CD GLU A 27 22.091 -13.808 -9.011 1.00 72.52 C ATOM 403 OE1 GLU A 27 21.547 -13.482 -10.087 1.00 62.33 O ATOM 404 OE2 GLU A 27 22.922 -14.735 -8.917 1.00 31.51 O ATOM 0 H GLU A 27 19.803 -15.701 -5.213 1.00 41.02 H new ATOM 0 HA GLU A 27 22.252 -14.056 -5.489 1.00 55.41 H new ATOM 0 HB2 GLU A 27 20.357 -14.657 -7.443 1.00 21.32 H new ATOM 0 HB3 GLU A 27 19.798 -13.115 -6.826 1.00 21.32 H new ATOM 0 HG2 GLU A 27 21.348 -12.055 -8.036 1.00 60.00 H new ATOM 0 HG3 GLU A 27 22.617 -12.883 -7.155 1.00 60.00 H new ATOM 411 N VAL A 28 20.645 -11.886 -4.779 1.00 31.51 N ATOM 412 CA VAL A 28 20.119 -10.870 -3.875 1.00 43.15 C ATOM 413 C VAL A 28 19.006 -10.067 -4.539 1.00 70.43 C ATOM 414 O VAL A 28 19.175 -9.543 -5.641 1.00 14.13 O ATOM 415 CB VAL A 28 21.226 -9.905 -3.412 1.00 5.24 C ATOM 416 CG1 VAL A 28 22.119 -10.573 -2.377 1.00 35.14 C ATOM 417 CG2 VAL A 28 22.044 -9.422 -4.600 1.00 41.11 C ATOM 0 H VAL A 28 21.060 -11.516 -5.634 1.00 31.51 H new ATOM 0 HA VAL A 28 19.717 -11.394 -3.008 1.00 43.15 H new ATOM 0 HB VAL A 28 20.756 -9.038 -2.947 1.00 5.24 H new ATOM 0 HG11 VAL A 28 22.895 -9.876 -2.062 1.00 35.14 H new ATOM 0 HG12 VAL A 28 21.521 -10.864 -1.514 1.00 35.14 H new ATOM 0 HG13 VAL A 28 22.582 -11.458 -2.813 1.00 35.14 H new ATOM 0 HG21 VAL A 28 22.821 -8.741 -4.254 1.00 41.11 H new ATOM 0 HG22 VAL A 28 22.505 -10.276 -5.096 1.00 41.11 H new ATOM 0 HG23 VAL A 28 21.393 -8.902 -5.303 1.00 41.11 H new ATOM 427 N THR A 29 17.866 -9.975 -3.862 1.00 11.54 N ATOM 428 CA THR A 29 16.724 -9.236 -4.385 1.00 75.43 C ATOM 429 C THR A 29 16.351 -8.077 -3.469 1.00 3.43 C ATOM 430 O THR A 29 15.378 -7.365 -3.717 1.00 63.55 O ATOM 431 CB THR A 29 15.497 -10.151 -4.561 1.00 54.13 C ATOM 432 OG1 THR A 29 14.372 -9.383 -5.004 1.00 43.40 O ATOM 433 CG2 THR A 29 15.154 -10.854 -3.257 1.00 24.44 C ATOM 0 H THR A 29 17.709 -10.403 -2.950 1.00 11.54 H new ATOM 0 HA THR A 29 17.020 -8.844 -5.358 1.00 75.43 H new ATOM 0 HB THR A 29 15.739 -10.905 -5.309 1.00 54.13 H new ATOM 0 HG1 THR A 29 14.410 -8.488 -4.606 1.00 43.40 H new ATOM 0 HG21 THR A 29 14.285 -11.494 -3.407 1.00 24.44 H new ATOM 0 HG22 THR A 29 16.001 -11.461 -2.937 1.00 24.44 H new ATOM 0 HG23 THR A 29 14.930 -10.111 -2.491 1.00 24.44 H new ATOM 441 N GLN A 30 17.132 -7.892 -2.409 1.00 41.31 N ATOM 442 CA GLN A 30 16.883 -6.817 -1.456 1.00 21.04 C ATOM 443 C GLN A 30 17.560 -5.525 -1.902 1.00 73.34 C ATOM 444 O GLN A 30 17.563 -4.530 -1.177 1.00 55.34 O ATOM 445 CB GLN A 30 17.383 -7.214 -0.066 1.00 31.15 C ATOM 446 CG GLN A 30 18.835 -7.662 -0.046 1.00 64.12 C ATOM 447 CD GLN A 30 18.984 -9.165 -0.176 1.00 23.11 C ATOM 448 OE1 GLN A 30 17.996 -9.892 -0.276 1.00 34.34 O ATOM 449 NE2 GLN A 30 20.225 -9.640 -0.176 1.00 14.45 N ATOM 0 H GLN A 30 17.942 -8.472 -2.189 1.00 41.31 H new ATOM 0 HA GLN A 30 15.807 -6.646 -1.413 1.00 21.04 H new ATOM 0 HB2 GLN A 30 17.264 -6.367 0.609 1.00 31.15 H new ATOM 0 HB3 GLN A 30 16.758 -8.019 0.319 1.00 31.15 H new ATOM 0 HG2 GLN A 30 19.372 -7.176 -0.860 1.00 64.12 H new ATOM 0 HG3 GLN A 30 19.300 -7.334 0.884 1.00 64.12 H new ATOM 0 HE21 GLN A 30 21.016 -9.001 -0.091 1.00 14.45 H new ATOM 0 HE22 GLN A 30 20.387 -10.643 -0.261 1.00 14.45 H new ATOM 458 N THR A 31 18.134 -5.548 -3.101 1.00 51.43 N ATOM 459 CA THR A 31 18.815 -4.379 -3.644 1.00 62.23 C ATOM 460 C THR A 31 18.055 -3.802 -4.833 1.00 33.41 C ATOM 461 O THR A 31 18.602 -3.022 -5.612 1.00 55.24 O ATOM 462 CB THR A 31 20.251 -4.721 -4.085 1.00 2.42 C ATOM 463 OG1 THR A 31 20.303 -6.058 -4.593 1.00 73.25 O ATOM 464 CG2 THR A 31 21.222 -4.577 -2.923 1.00 3.22 C ATOM 0 H THR A 31 18.141 -6.363 -3.714 1.00 51.43 H new ATOM 0 HA THR A 31 18.854 -3.637 -2.846 1.00 62.23 H new ATOM 0 HB THR A 31 20.542 -4.023 -4.870 1.00 2.42 H new ATOM 0 HG1 THR A 31 21.219 -6.266 -4.873 1.00 73.25 H new ATOM 0 HG21 THR A 31 22.229 -4.824 -3.258 1.00 3.22 H new ATOM 0 HG22 THR A 31 21.202 -3.550 -2.557 1.00 3.22 H new ATOM 0 HG23 THR A 31 20.931 -5.254 -2.120 1.00 3.22 H new ATOM 472 N TYR A 32 16.791 -4.191 -4.966 1.00 4.54 N ATOM 473 CA TYR A 32 15.956 -3.713 -6.061 1.00 0.30 C ATOM 474 C TYR A 32 14.708 -3.014 -5.530 1.00 2.12 C ATOM 475 O TYR A 32 14.173 -3.382 -4.484 1.00 33.22 O ATOM 476 CB TYR A 32 15.555 -4.876 -6.969 1.00 71.32 C ATOM 477 CG TYR A 32 15.882 -4.647 -8.427 1.00 42.15 C ATOM 478 CD1 TYR A 32 14.875 -4.430 -9.360 1.00 20.31 C ATOM 479 CD2 TYR A 32 17.198 -4.648 -8.873 1.00 41.31 C ATOM 480 CE1 TYR A 32 15.169 -4.221 -10.693 1.00 41.14 C ATOM 481 CE2 TYR A 32 17.502 -4.438 -10.204 1.00 54.33 C ATOM 482 CZ TYR A 32 16.484 -4.225 -11.111 1.00 32.15 C ATOM 483 OH TYR A 32 16.782 -4.017 -12.438 1.00 11.03 O ATOM 0 H TYR A 32 16.323 -4.836 -4.329 1.00 4.54 H new ATOM 0 HA TYR A 32 16.536 -2.993 -6.638 1.00 0.30 H new ATOM 0 HB2 TYR A 32 16.059 -5.781 -6.630 1.00 71.32 H new ATOM 0 HB3 TYR A 32 14.484 -5.051 -6.869 1.00 71.32 H new ATOM 0 HD1 TYR A 32 13.844 -4.425 -9.037 1.00 20.31 H new ATOM 0 HD2 TYR A 32 17.997 -4.816 -8.166 1.00 41.31 H new ATOM 0 HE1 TYR A 32 14.374 -4.055 -11.405 1.00 41.14 H new ATOM 0 HE2 TYR A 32 18.531 -4.440 -10.533 1.00 54.33 H new ATOM 0 HH TYR A 32 17.753 -4.050 -12.564 1.00 11.03 H new ATOM 493 N THR A 33 14.249 -2.002 -6.259 1.00 52.14 N ATOM 494 CA THR A 33 13.065 -1.250 -5.863 1.00 52.14 C ATOM 495 C THR A 33 12.377 -0.630 -7.074 1.00 41.52 C ATOM 496 O THR A 33 13.024 -0.302 -8.068 1.00 23.40 O ATOM 497 CB THR A 33 13.417 -0.135 -4.860 1.00 73.32 C ATOM 498 OG1 THR A 33 14.245 -0.659 -3.816 1.00 60.43 O ATOM 499 CG2 THR A 33 12.157 0.470 -4.259 1.00 72.44 C ATOM 0 H THR A 33 14.680 -1.684 -7.127 1.00 52.14 H new ATOM 0 HA THR A 33 12.387 -1.957 -5.386 1.00 52.14 H new ATOM 0 HB THR A 33 13.957 0.647 -5.394 1.00 73.32 H new ATOM 0 HG1 THR A 33 15.111 -0.200 -3.824 1.00 60.43 H new ATOM 0 HG21 THR A 33 12.431 1.255 -3.554 1.00 72.44 H new ATOM 0 HG22 THR A 33 11.542 0.894 -5.053 1.00 72.44 H new ATOM 0 HG23 THR A 33 11.594 -0.305 -3.739 1.00 72.44 H new ATOM 507 N GLY A 34 11.060 -0.470 -6.984 1.00 2.52 N ATOM 508 CA GLY A 34 10.307 0.112 -8.079 1.00 53.22 C ATOM 509 C GLY A 34 8.972 0.673 -7.631 1.00 53.21 C ATOM 510 O GLY A 34 8.524 1.704 -8.133 1.00 74.34 O ATOM 0 H GLY A 34 10.501 -0.733 -6.172 1.00 2.52 H new ATOM 0 HA2 GLY A 34 10.895 0.906 -8.539 1.00 53.22 H new ATOM 0 HA3 GLY A 34 10.141 -0.646 -8.845 1.00 53.22 H new ATOM 514 N SER A 35 8.333 -0.007 -6.684 1.00 65.11 N ATOM 515 CA SER A 35 7.039 0.427 -6.172 1.00 72.52 C ATOM 516 C SER A 35 7.179 1.023 -4.775 1.00 42.52 C ATOM 517 O SER A 35 7.990 0.566 -3.972 1.00 23.35 O ATOM 518 CB SER A 35 6.059 -0.748 -6.141 1.00 65.40 C ATOM 519 OG SER A 35 6.277 -1.623 -7.235 1.00 1.13 O ATOM 0 H SER A 35 8.691 -0.861 -6.256 1.00 65.11 H new ATOM 0 HA SER A 35 6.652 1.197 -6.839 1.00 72.52 H new ATOM 0 HB2 SER A 35 6.172 -1.295 -5.205 1.00 65.40 H new ATOM 0 HB3 SER A 35 5.036 -0.373 -6.169 1.00 65.40 H new ATOM 0 HG SER A 35 5.528 -1.554 -7.863 1.00 1.13 H new ATOM 525 N ASN A 36 6.382 2.049 -4.494 1.00 42.31 N ATOM 526 CA ASN A 36 6.417 2.711 -3.195 1.00 22.43 C ATOM 527 C ASN A 36 7.794 3.311 -2.927 1.00 12.41 C ATOM 528 O ASN A 36 8.222 3.421 -1.779 1.00 0.41 O ATOM 529 CB ASN A 36 6.056 1.721 -2.085 1.00 71.45 C ATOM 530 CG ASN A 36 5.484 2.408 -0.860 1.00 45.15 C ATOM 531 OD1 ASN A 36 6.086 2.388 0.213 1.00 1.44 O ATOM 532 ND2 ASN A 36 4.317 3.021 -1.017 1.00 34.43 N ATOM 0 H ASN A 36 5.704 2.440 -5.148 1.00 42.31 H new ATOM 0 HA ASN A 36 5.684 3.518 -3.207 1.00 22.43 H new ATOM 0 HB2 ASN A 36 5.332 1.001 -2.466 1.00 71.45 H new ATOM 0 HB3 ASN A 36 6.945 1.158 -1.801 1.00 71.45 H new ATOM 0 HD21 ASN A 36 3.883 3.502 -0.229 1.00 34.43 H new ATOM 0 HD22 ASN A 36 3.854 3.011 -1.926 1.00 34.43 H new ATOM 539 N GLY A 37 8.482 3.700 -3.996 1.00 64.41 N ATOM 540 CA GLY A 37 9.803 4.285 -3.856 1.00 31.14 C ATOM 541 C GLY A 37 10.481 4.513 -5.192 1.00 11.41 C ATOM 542 O GLY A 37 10.700 5.654 -5.598 1.00 73.20 O ATOM 0 H GLY A 37 8.148 3.621 -4.957 1.00 64.41 H new ATOM 0 HA2 GLY A 37 9.722 5.234 -3.326 1.00 31.14 H new ATOM 0 HA3 GLY A 37 10.424 3.631 -3.244 1.00 31.14 H new ATOM 546 N GLY A 38 10.816 3.425 -5.878 1.00 25.44 N ATOM 547 CA GLY A 38 11.472 3.533 -7.168 1.00 1.23 C ATOM 548 C GLY A 38 12.938 3.900 -7.044 1.00 53.02 C ATOM 549 O GLY A 38 13.308 5.063 -7.198 1.00 3.41 O ATOM 0 H GLY A 38 10.645 2.470 -5.563 1.00 25.44 H new ATOM 0 HA2 GLY A 38 11.382 2.585 -7.699 1.00 1.23 H new ATOM 0 HA3 GLY A 38 10.962 4.285 -7.770 1.00 1.23 H new ATOM 553 N ALA A 39 13.773 2.905 -6.764 1.00 44.43 N ATOM 554 CA ALA A 39 15.207 3.129 -6.620 1.00 55.44 C ATOM 555 C ALA A 39 15.937 1.827 -6.310 1.00 43.41 C ATOM 556 O ALA A 39 16.093 1.454 -5.147 1.00 73.34 O ATOM 557 CB ALA A 39 15.473 4.159 -5.532 1.00 62.22 C ATOM 0 H ALA A 39 13.482 1.936 -6.632 1.00 44.43 H new ATOM 0 HA ALA A 39 15.588 3.511 -7.567 1.00 55.44 H new ATOM 0 HB1 ALA A 39 16.547 4.317 -5.435 1.00 62.22 H new ATOM 0 HB2 ALA A 39 14.991 5.100 -5.796 1.00 62.22 H new ATOM 0 HB3 ALA A 39 15.072 3.799 -4.584 1.00 62.22 H new ATOM 563 N ASP A 40 16.383 1.141 -7.356 1.00 70.13 N ATOM 564 CA ASP A 40 17.098 -0.120 -7.195 1.00 51.12 C ATOM 565 C ASP A 40 18.586 0.125 -6.965 1.00 60.23 C ATOM 566 O ASP A 40 19.283 0.643 -7.839 1.00 22.51 O ATOM 567 CB ASP A 40 16.898 -1.005 -8.426 1.00 62.05 C ATOM 568 CG ASP A 40 17.449 -0.373 -9.690 1.00 11.35 C ATOM 569 OD1 ASP A 40 18.347 -0.977 -10.313 1.00 0.40 O ATOM 570 OD2 ASP A 40 16.981 0.726 -10.055 1.00 61.32 O ATOM 0 H ASP A 40 16.262 1.437 -8.325 1.00 70.13 H new ATOM 0 HA ASP A 40 16.693 -0.630 -6.321 1.00 51.12 H new ATOM 0 HB2 ASP A 40 17.385 -1.966 -8.262 1.00 62.05 H new ATOM 0 HB3 ASP A 40 15.835 -1.205 -8.557 1.00 62.05 H new ATOM 575 N LEU A 41 19.066 -0.249 -5.785 1.00 23.53 N ATOM 576 CA LEU A 41 20.472 -0.070 -5.439 1.00 1.13 C ATOM 577 C LEU A 41 20.842 -0.902 -4.216 1.00 25.55 C ATOM 578 O LEU A 41 20.096 -1.792 -3.809 1.00 32.21 O ATOM 579 CB LEU A 41 20.768 1.407 -5.173 1.00 14.21 C ATOM 580 CG LEU A 41 22.092 1.936 -5.724 1.00 2.43 C ATOM 581 CD1 LEU A 41 21.957 2.284 -7.198 1.00 74.21 C ATOM 582 CD2 LEU A 41 22.554 3.149 -4.929 1.00 22.24 C ATOM 0 H LEU A 41 18.503 -0.678 -5.051 1.00 23.53 H new ATOM 0 HA LEU A 41 21.074 -0.409 -6.282 1.00 1.13 H new ATOM 0 HB2 LEU A 41 19.958 2.001 -5.596 1.00 14.21 H new ATOM 0 HB3 LEU A 41 20.754 1.571 -4.096 1.00 14.21 H new ATOM 0 HG LEU A 41 22.843 1.152 -5.624 1.00 2.43 H new ATOM 0 HD11 LEU A 41 22.910 2.659 -7.572 1.00 74.21 H new ATOM 0 HD12 LEU A 41 21.673 1.393 -7.758 1.00 74.21 H new ATOM 0 HD13 LEU A 41 21.192 3.050 -7.322 1.00 74.21 H new ATOM 0 HD21 LEU A 41 23.498 3.512 -5.335 1.00 22.24 H new ATOM 0 HD22 LEU A 41 21.803 3.936 -4.997 1.00 22.24 H new ATOM 0 HD23 LEU A 41 22.692 2.869 -3.885 1.00 22.24 H new ATOM 594 N MET A 42 21.999 -0.606 -3.632 1.00 42.43 N ATOM 595 CA MET A 42 22.467 -1.325 -2.453 1.00 13.10 C ATOM 596 C MET A 42 22.486 -0.412 -1.231 1.00 54.33 C ATOM 597 O MET A 42 23.148 0.625 -1.230 1.00 12.15 O ATOM 598 CB MET A 42 23.864 -1.896 -2.699 1.00 24.44 C ATOM 599 CG MET A 42 24.021 -2.556 -4.059 1.00 74.40 C ATOM 600 SD MET A 42 24.888 -1.510 -5.243 1.00 40.34 S ATOM 601 CE MET A 42 26.583 -1.724 -4.707 1.00 23.02 C ATOM 0 H MET A 42 22.630 0.127 -3.956 1.00 42.43 H new ATOM 0 HA MET A 42 21.776 -2.145 -2.261 1.00 13.10 H new ATOM 0 HB2 MET A 42 24.596 -1.094 -2.607 1.00 24.44 H new ATOM 0 HB3 MET A 42 24.091 -2.626 -1.922 1.00 24.44 H new ATOM 0 HG2 MET A 42 24.564 -3.494 -3.943 1.00 74.40 H new ATOM 0 HG3 MET A 42 23.036 -2.805 -4.453 1.00 74.40 H new ATOM 0 HE1 MET A 42 27.243 -1.136 -5.345 1.00 23.02 H new ATOM 0 HE2 MET A 42 26.683 -1.389 -3.675 1.00 23.02 H new ATOM 0 HE3 MET A 42 26.856 -2.777 -4.775 1.00 23.02 H new ATOM 611 N GLY A 43 21.754 -0.804 -0.193 1.00 33.21 N ATOM 612 CA GLY A 43 21.700 -0.009 1.020 1.00 24.20 C ATOM 613 C GLY A 43 21.122 -0.777 2.192 1.00 74.13 C ATOM 614 O GLY A 43 21.821 -1.112 3.148 1.00 33.31 O ATOM 0 H GLY A 43 21.197 -1.658 -0.170 1.00 33.21 H new ATOM 0 HA2 GLY A 43 22.704 0.331 1.273 1.00 24.20 H new ATOM 0 HA3 GLY A 43 21.097 0.881 0.841 1.00 24.20 H new ATOM 618 N PRO A 44 19.813 -1.066 2.127 1.00 64.24 N ATOM 619 CA PRO A 44 19.112 -1.802 3.183 1.00 54.42 C ATOM 620 C PRO A 44 19.532 -3.266 3.247 1.00 1.00 C ATOM 621 O PRO A 44 19.191 -3.979 4.190 1.00 11.45 O ATOM 622 CB PRO A 44 17.640 -1.685 2.778 1.00 31.14 C ATOM 623 CG PRO A 44 17.667 -1.481 1.303 1.00 65.11 C ATOM 624 CD PRO A 44 18.919 -0.698 1.016 1.00 13.25 C ATOM 0 HA PRO A 44 19.330 -1.401 4.173 1.00 54.42 H new ATOM 0 HB2 PRO A 44 17.084 -2.584 3.043 1.00 31.14 H new ATOM 0 HB3 PRO A 44 17.155 -0.850 3.284 1.00 31.14 H new ATOM 0 HG2 PRO A 44 17.675 -2.436 0.777 1.00 65.11 H new ATOM 0 HG3 PRO A 44 16.783 -0.939 0.968 1.00 65.11 H new ATOM 0 HD2 PRO A 44 19.347 -0.965 0.050 1.00 13.25 H new ATOM 0 HD3 PRO A 44 18.726 0.375 0.994 1.00 13.25 H new ATOM 632 N ALA A 45 20.275 -3.708 2.238 1.00 61.32 N ATOM 633 CA ALA A 45 20.744 -5.087 2.182 1.00 60.34 C ATOM 634 C ALA A 45 21.966 -5.288 3.071 1.00 20.34 C ATOM 635 O ALA A 45 22.031 -6.241 3.848 1.00 31.41 O ATOM 636 CB ALA A 45 21.064 -5.478 0.746 1.00 11.13 C ATOM 0 H ALA A 45 20.565 -3.131 1.448 1.00 61.32 H new ATOM 0 HA ALA A 45 19.947 -5.731 2.554 1.00 60.34 H new ATOM 0 HB1 ALA A 45 21.413 -6.510 0.719 1.00 11.13 H new ATOM 0 HB2 ALA A 45 20.167 -5.382 0.134 1.00 11.13 H new ATOM 0 HB3 ALA A 45 21.841 -4.822 0.355 1.00 11.13 H new ATOM 642 N PHE A 46 22.934 -4.385 2.953 1.00 74.24 N ATOM 643 CA PHE A 46 24.155 -4.465 3.745 1.00 0.44 C ATOM 644 C PHE A 46 23.888 -4.075 5.196 1.00 31.24 C ATOM 645 O PHE A 46 24.621 -4.472 6.102 1.00 72.33 O ATOM 646 CB PHE A 46 25.233 -3.556 3.152 1.00 45.21 C ATOM 647 CG PHE A 46 25.907 -4.136 1.941 1.00 20.44 C ATOM 648 CD1 PHE A 46 25.422 -3.875 0.670 1.00 3.41 C ATOM 649 CD2 PHE A 46 27.025 -4.944 2.075 1.00 33.40 C ATOM 650 CE1 PHE A 46 26.040 -4.407 -0.446 1.00 0.11 C ATOM 651 CE2 PHE A 46 27.647 -5.479 0.963 1.00 73.13 C ATOM 652 CZ PHE A 46 27.153 -5.211 -0.299 1.00 61.22 C ATOM 0 H PHE A 46 22.896 -3.589 2.316 1.00 74.24 H new ATOM 0 HA PHE A 46 24.506 -5.497 3.722 1.00 0.44 H new ATOM 0 HB2 PHE A 46 24.784 -2.600 2.885 1.00 45.21 H new ATOM 0 HB3 PHE A 46 25.985 -3.353 3.914 1.00 45.21 H new ATOM 0 HD1 PHE A 46 24.551 -3.248 0.550 1.00 3.41 H new ATOM 0 HD2 PHE A 46 27.414 -5.158 3.059 1.00 33.40 H new ATOM 0 HE1 PHE A 46 25.653 -4.194 -1.432 1.00 0.11 H new ATOM 0 HE2 PHE A 46 28.518 -6.106 1.080 1.00 73.13 H new ATOM 0 HZ PHE A 46 27.637 -5.630 -1.169 1.00 61.22 H new ATOM 662 N ALA A 47 22.833 -3.295 5.409 1.00 43.12 N ATOM 663 CA ALA A 47 22.468 -2.853 6.749 1.00 52.53 C ATOM 664 C ALA A 47 21.850 -3.991 7.553 1.00 13.02 C ATOM 665 O ALA A 47 21.942 -4.018 8.780 1.00 61.10 O ATOM 666 CB ALA A 47 21.507 -1.675 6.672 1.00 31.41 C ATOM 0 H ALA A 47 22.216 -2.956 4.671 1.00 43.12 H new ATOM 0 HA ALA A 47 23.376 -2.534 7.260 1.00 52.53 H new ATOM 0 HB1 ALA A 47 21.242 -1.355 7.680 1.00 31.41 H new ATOM 0 HB2 ALA A 47 21.984 -0.850 6.143 1.00 31.41 H new ATOM 0 HB3 ALA A 47 20.605 -1.975 6.138 1.00 31.41 H new ATOM 672 N ALA A 48 21.219 -4.929 6.854 1.00 12.21 N ATOM 673 CA ALA A 48 20.587 -6.070 7.504 1.00 74.33 C ATOM 674 C ALA A 48 21.475 -7.307 7.426 1.00 32.42 C ATOM 675 O ALA A 48 21.347 -8.227 8.233 1.00 0.14 O ATOM 676 CB ALA A 48 19.230 -6.352 6.874 1.00 44.51 C ATOM 0 H ALA A 48 21.132 -4.921 5.838 1.00 12.21 H new ATOM 0 HA ALA A 48 20.443 -5.823 8.556 1.00 74.33 H new ATOM 0 HB1 ALA A 48 18.769 -7.207 7.369 1.00 44.51 H new ATOM 0 HB2 ALA A 48 18.588 -5.478 6.986 1.00 44.51 H new ATOM 0 HB3 ALA A 48 19.360 -6.573 5.815 1.00 44.51 H new ATOM 682 N GLY A 49 22.375 -7.324 6.448 1.00 4.51 N ATOM 683 CA GLY A 49 23.271 -8.453 6.283 1.00 61.40 C ATOM 684 C GLY A 49 22.755 -9.460 5.274 1.00 50.34 C ATOM 685 O GLY A 49 23.223 -10.598 5.226 1.00 74.21 O ATOM 0 H GLY A 49 22.500 -6.575 5.767 1.00 4.51 H new ATOM 0 HA2 GLY A 49 24.249 -8.093 5.965 1.00 61.40 H new ATOM 0 HA3 GLY A 49 23.410 -8.946 7.245 1.00 61.40 H new ATOM 689 N LEU A 50 21.787 -9.041 4.465 1.00 22.35 N ATOM 690 CA LEU A 50 21.205 -9.915 3.453 1.00 42.05 C ATOM 691 C LEU A 50 22.216 -10.222 2.352 1.00 22.35 C ATOM 692 O LEU A 50 22.607 -9.338 1.590 1.00 33.10 O ATOM 693 CB LEU A 50 19.958 -9.268 2.848 1.00 11.22 C ATOM 694 CG LEU A 50 19.070 -8.487 3.818 1.00 42.21 C ATOM 695 CD1 LEU A 50 17.797 -8.027 3.124 1.00 4.11 C ATOM 696 CD2 LEU A 50 18.739 -9.334 5.038 1.00 53.12 C ATOM 0 H LEU A 50 21.389 -8.102 4.491 1.00 22.35 H new ATOM 0 HA LEU A 50 20.924 -10.851 3.935 1.00 42.05 H new ATOM 0 HB2 LEU A 50 20.273 -8.594 2.052 1.00 11.22 H new ATOM 0 HB3 LEU A 50 19.356 -10.050 2.384 1.00 11.22 H new ATOM 0 HG LEU A 50 19.617 -7.605 4.151 1.00 42.21 H new ATOM 0 HD11 LEU A 50 17.178 -7.473 3.830 1.00 4.11 H new ATOM 0 HD12 LEU A 50 18.054 -7.383 2.283 1.00 4.11 H new ATOM 0 HD13 LEU A 50 17.246 -8.895 2.761 1.00 4.11 H new ATOM 0 HD21 LEU A 50 18.107 -8.762 5.717 1.00 53.12 H new ATOM 0 HD22 LEU A 50 18.212 -10.235 4.723 1.00 53.12 H new ATOM 0 HD23 LEU A 50 19.661 -9.612 5.549 1.00 53.12 H new ATOM 708 N ARG A 51 22.634 -11.481 2.275 1.00 23.52 N ATOM 709 CA ARG A 51 23.599 -11.906 1.268 1.00 51.33 C ATOM 710 C ARG A 51 23.267 -13.303 0.752 1.00 43.13 C ATOM 711 O ARG A 51 22.596 -14.083 1.428 1.00 52.44 O ATOM 712 CB ARG A 51 25.015 -11.887 1.847 1.00 52.13 C ATOM 713 CG ARG A 51 25.914 -10.833 1.222 1.00 2.45 C ATOM 714 CD ARG A 51 27.287 -11.396 0.892 1.00 24.25 C ATOM 715 NE ARG A 51 28.143 -10.408 0.241 1.00 13.21 N ATOM 716 CZ ARG A 51 29.331 -10.693 -0.280 1.00 74.44 C ATOM 717 NH1 ARG A 51 29.801 -11.932 -0.227 1.00 40.15 N ATOM 718 NH2 ARG A 51 30.050 -9.739 -0.857 1.00 22.31 N ATOM 0 H ARG A 51 22.319 -12.225 2.898 1.00 23.52 H new ATOM 0 HA ARG A 51 23.546 -11.207 0.433 1.00 51.33 H new ATOM 0 HB2 ARG A 51 24.957 -11.712 2.921 1.00 52.13 H new ATOM 0 HB3 ARG A 51 25.469 -12.868 1.708 1.00 52.13 H new ATOM 0 HG2 ARG A 51 25.449 -10.449 0.314 1.00 2.45 H new ATOM 0 HG3 ARG A 51 26.020 -9.991 1.906 1.00 2.45 H new ATOM 0 HD2 ARG A 51 27.766 -11.743 1.808 1.00 24.25 H new ATOM 0 HD3 ARG A 51 27.176 -12.264 0.242 1.00 24.25 H new ATOM 0 HE ARG A 51 27.810 -9.446 0.183 1.00 13.21 H new ATOM 0 HH11 ARG A 51 29.250 -12.668 0.214 1.00 40.15 H new ATOM 0 HH12 ARG A 51 30.714 -12.149 -0.628 1.00 40.15 H new ATOM 0 HH21 ARG A 51 29.691 -8.785 -0.901 1.00 22.31 H new ATOM 0 HH22 ARG A 51 30.962 -9.959 -1.257 1.00 22.31 H new ATOM 732 N VAL A 52 23.742 -13.612 -0.451 1.00 24.44 N ATOM 733 CA VAL A 52 23.497 -14.915 -1.057 1.00 62.33 C ATOM 734 C VAL A 52 23.985 -16.043 -0.154 1.00 51.42 C ATOM 735 O VAL A 52 25.100 -15.999 0.364 1.00 12.31 O ATOM 736 CB VAL A 52 24.189 -15.035 -2.428 1.00 74.04 C ATOM 737 CG1 VAL A 52 23.721 -13.928 -3.361 1.00 20.01 C ATOM 738 CG2 VAL A 52 25.701 -15.004 -2.267 1.00 12.25 C ATOM 0 H VAL A 52 24.298 -12.978 -1.024 1.00 24.44 H new ATOM 0 HA VAL A 52 22.419 -15.003 -1.192 1.00 62.33 H new ATOM 0 HB VAL A 52 23.914 -15.992 -2.871 1.00 74.04 H new ATOM 0 HG11 VAL A 52 24.220 -14.029 -4.325 1.00 20.01 H new ATOM 0 HG12 VAL A 52 22.643 -14.002 -3.502 1.00 20.01 H new ATOM 0 HG13 VAL A 52 23.964 -12.959 -2.926 1.00 20.01 H new ATOM 0 HG21 VAL A 52 26.173 -15.090 -3.246 1.00 12.25 H new ATOM 0 HG22 VAL A 52 25.998 -14.064 -1.802 1.00 12.25 H new ATOM 0 HG23 VAL A 52 26.017 -15.836 -1.638 1.00 12.25 H new ATOM 748 N GLY A 53 23.141 -17.054 0.030 1.00 40.44 N ATOM 749 CA GLY A 53 23.504 -18.179 0.870 1.00 21.44 C ATOM 750 C GLY A 53 22.498 -18.425 1.977 1.00 0.43 C ATOM 751 O GLY A 53 22.267 -19.567 2.373 1.00 35.20 O ATOM 0 H GLY A 53 22.212 -17.113 -0.388 1.00 40.44 H new ATOM 0 HA2 GLY A 53 23.589 -19.075 0.255 1.00 21.44 H new ATOM 0 HA3 GLY A 53 24.485 -17.999 1.309 1.00 21.44 H new ATOM 755 N ASP A 54 21.900 -17.350 2.479 1.00 32.14 N ATOM 756 CA ASP A 54 20.913 -17.454 3.548 1.00 2.43 C ATOM 757 C ASP A 54 19.518 -17.689 2.979 1.00 54.22 C ATOM 758 O ASP A 54 19.232 -17.318 1.841 1.00 73.44 O ATOM 759 CB ASP A 54 20.922 -16.186 4.404 1.00 55.34 C ATOM 760 CG ASP A 54 22.022 -16.198 5.446 1.00 2.31 C ATOM 761 OD1 ASP A 54 21.712 -16.425 6.634 1.00 11.15 O ATOM 762 OD2 ASP A 54 23.194 -15.981 5.074 1.00 50.25 O ATOM 0 H ASP A 54 22.081 -16.397 2.163 1.00 32.14 H new ATOM 0 HA ASP A 54 21.179 -18.307 4.173 1.00 2.43 H new ATOM 0 HB2 ASP A 54 21.047 -15.317 3.759 1.00 55.34 H new ATOM 0 HB3 ASP A 54 19.957 -16.079 4.900 1.00 55.34 H new ATOM 767 N GLN A 55 18.654 -18.307 3.778 1.00 24.30 N ATOM 768 CA GLN A 55 17.290 -18.593 3.352 1.00 35.20 C ATOM 769 C GLN A 55 16.308 -17.601 3.968 1.00 60.34 C ATOM 770 O GLN A 55 16.510 -17.125 5.085 1.00 13.34 O ATOM 771 CB GLN A 55 16.900 -20.021 3.739 1.00 4.13 C ATOM 772 CG GLN A 55 17.906 -21.069 3.290 1.00 41.30 C ATOM 773 CD GLN A 55 17.487 -22.477 3.663 1.00 63.22 C ATOM 774 OE1 GLN A 55 17.938 -23.026 4.669 1.00 43.51 O ATOM 775 NE2 GLN A 55 16.620 -23.071 2.852 1.00 71.42 N ATOM 0 H GLN A 55 18.875 -18.619 4.724 1.00 24.30 H new ATOM 0 HA GLN A 55 17.247 -18.494 2.267 1.00 35.20 H new ATOM 0 HB2 GLN A 55 16.788 -20.077 4.822 1.00 4.13 H new ATOM 0 HB3 GLN A 55 15.927 -20.253 3.305 1.00 4.13 H new ATOM 0 HG2 GLN A 55 18.033 -21.006 2.209 1.00 41.30 H new ATOM 0 HG3 GLN A 55 18.876 -20.852 3.738 1.00 41.30 H new ATOM 0 HE21 GLN A 55 16.272 -22.579 2.029 1.00 71.42 H new ATOM 0 HE22 GLN A 55 16.302 -24.019 3.052 1.00 71.42 H new ATOM 784 N LEU A 56 15.246 -17.294 3.232 1.00 74.02 N ATOM 785 CA LEU A 56 14.232 -16.358 3.705 1.00 12.12 C ATOM 786 C LEU A 56 12.835 -16.958 3.580 1.00 63.41 C ATOM 787 O LEU A 56 12.426 -17.384 2.500 1.00 72.31 O ATOM 788 CB LEU A 56 14.310 -15.050 2.916 1.00 15.45 C ATOM 789 CG LEU A 56 14.973 -15.133 1.541 1.00 21.14 C ATOM 790 CD1 LEU A 56 14.409 -14.071 0.611 1.00 53.02 C ATOM 791 CD2 LEU A 56 16.482 -14.986 1.668 1.00 65.51 C ATOM 0 H LEU A 56 15.064 -17.679 2.305 1.00 74.02 H new ATOM 0 HA LEU A 56 14.426 -16.153 4.758 1.00 12.12 H new ATOM 0 HB2 LEU A 56 13.298 -14.667 2.786 1.00 15.45 H new ATOM 0 HB3 LEU A 56 14.853 -14.320 3.515 1.00 15.45 H new ATOM 0 HG LEU A 56 14.757 -16.112 1.113 1.00 21.14 H new ATOM 0 HD11 LEU A 56 14.893 -14.146 -0.363 1.00 53.02 H new ATOM 0 HD12 LEU A 56 13.336 -14.222 0.495 1.00 53.02 H new ATOM 0 HD13 LEU A 56 14.593 -13.083 1.033 1.00 53.02 H new ATOM 0 HD21 LEU A 56 16.938 -15.047 0.680 1.00 65.51 H new ATOM 0 HD22 LEU A 56 16.717 -14.021 2.117 1.00 65.51 H new ATOM 0 HD23 LEU A 56 16.874 -15.784 2.299 1.00 65.51 H new ATOM 803 N VAL A 57 12.107 -16.987 4.692 1.00 61.34 N ATOM 804 CA VAL A 57 10.755 -17.532 4.706 1.00 71.21 C ATOM 805 C VAL A 57 9.730 -16.450 5.024 1.00 14.25 C ATOM 806 O VAL A 57 8.625 -16.448 4.482 1.00 75.32 O ATOM 807 CB VAL A 57 10.619 -18.671 5.734 1.00 4.12 C ATOM 808 CG1 VAL A 57 11.503 -19.847 5.348 1.00 75.53 C ATOM 809 CG2 VAL A 57 10.963 -18.172 7.130 1.00 52.34 C ATOM 0 H VAL A 57 12.431 -16.639 5.595 1.00 61.34 H new ATOM 0 HA VAL A 57 10.563 -17.928 3.709 1.00 71.21 H new ATOM 0 HB VAL A 57 9.583 -19.011 5.739 1.00 4.12 H new ATOM 0 HG11 VAL A 57 11.394 -20.642 6.086 1.00 75.53 H new ATOM 0 HG12 VAL A 57 11.206 -20.219 4.367 1.00 75.53 H new ATOM 0 HG13 VAL A 57 12.544 -19.524 5.314 1.00 75.53 H new ATOM 0 HG21 VAL A 57 10.862 -18.989 7.844 1.00 52.34 H new ATOM 0 HG22 VAL A 57 11.989 -17.804 7.142 1.00 52.34 H new ATOM 0 HG23 VAL A 57 10.285 -17.364 7.405 1.00 52.34 H new ATOM 819 N ARG A 58 10.104 -15.530 5.908 1.00 55.24 N ATOM 820 CA ARG A 58 9.216 -14.442 6.299 1.00 0.54 C ATOM 821 C ARG A 58 7.851 -14.978 6.721 1.00 23.02 C ATOM 822 O ARG A 58 6.838 -14.290 6.600 1.00 55.01 O ATOM 823 CB ARG A 58 9.052 -13.449 5.147 1.00 52.10 C ATOM 824 CG ARG A 58 10.352 -13.131 4.427 1.00 1.11 C ATOM 825 CD ARG A 58 10.113 -12.262 3.202 1.00 34.40 C ATOM 826 NE ARG A 58 10.821 -12.765 2.028 1.00 44.40 N ATOM 827 CZ ARG A 58 10.511 -13.900 1.412 1.00 24.24 C ATOM 828 NH1 ARG A 58 9.510 -14.647 1.857 1.00 61.11 N ATOM 829 NH2 ARG A 58 11.203 -14.290 0.350 1.00 62.45 N ATOM 0 H ARG A 58 11.015 -15.517 6.366 1.00 55.24 H new ATOM 0 HA ARG A 58 9.665 -13.930 7.150 1.00 0.54 H new ATOM 0 HB2 ARG A 58 8.338 -13.853 4.429 1.00 52.10 H new ATOM 0 HB3 ARG A 58 8.625 -12.524 5.534 1.00 52.10 H new ATOM 0 HG2 ARG A 58 11.032 -12.621 5.109 1.00 1.11 H new ATOM 0 HG3 ARG A 58 10.839 -14.059 4.127 1.00 1.11 H new ATOM 0 HD2 ARG A 58 9.045 -12.220 2.990 1.00 34.40 H new ATOM 0 HD3 ARG A 58 10.437 -11.243 3.412 1.00 34.40 H new ATOM 0 HE ARG A 58 11.597 -12.214 1.661 1.00 44.40 H new ATOM 0 HH11 ARG A 58 8.976 -14.350 2.674 1.00 61.11 H new ATOM 0 HH12 ARG A 58 9.274 -15.518 1.382 1.00 61.11 H new ATOM 0 HH21 ARG A 58 11.974 -13.718 0.006 1.00 62.45 H new ATOM 0 HH22 ARG A 58 10.964 -15.162 -0.122 1.00 62.45 H new ATOM 843 N PHE A 59 7.833 -16.211 7.216 1.00 23.05 N ATOM 844 CA PHE A 59 6.593 -16.841 7.655 1.00 42.21 C ATOM 845 C PHE A 59 6.833 -17.722 8.877 1.00 24.21 C ATOM 846 O PHE A 59 7.909 -18.299 9.038 1.00 14.43 O ATOM 847 CB PHE A 59 5.991 -17.674 6.522 1.00 41.04 C ATOM 848 CG PHE A 59 4.737 -18.402 6.913 1.00 11.45 C ATOM 849 CD1 PHE A 59 3.509 -17.761 6.880 1.00 41.41 C ATOM 850 CD2 PHE A 59 4.786 -19.727 7.316 1.00 0.51 C ATOM 851 CE1 PHE A 59 2.353 -18.427 7.240 1.00 71.44 C ATOM 852 CE2 PHE A 59 3.633 -20.398 7.676 1.00 23.54 C ATOM 853 CZ PHE A 59 2.415 -19.748 7.639 1.00 5.23 C ATOM 0 H PHE A 59 8.663 -16.794 7.323 1.00 23.05 H new ATOM 0 HA PHE A 59 5.892 -16.053 7.930 1.00 42.21 H new ATOM 0 HB2 PHE A 59 5.773 -17.020 5.677 1.00 41.04 H new ATOM 0 HB3 PHE A 59 6.731 -18.399 6.182 1.00 41.04 H new ATOM 0 HD1 PHE A 59 3.455 -16.728 6.569 1.00 41.41 H new ATOM 0 HD2 PHE A 59 5.735 -20.241 7.349 1.00 0.51 H new ATOM 0 HE1 PHE A 59 1.402 -17.915 7.209 1.00 71.44 H new ATOM 0 HE2 PHE A 59 3.684 -21.431 7.986 1.00 23.54 H new ATOM 0 HZ PHE A 59 1.513 -20.271 7.921 1.00 5.23 H new ATOM 863 N ALA A 60 5.824 -17.821 9.735 1.00 34.05 N ATOM 864 CA ALA A 60 5.923 -18.633 10.942 1.00 4.52 C ATOM 865 C ALA A 60 5.893 -20.120 10.608 1.00 53.04 C ATOM 866 O ALA A 60 4.840 -20.674 10.292 1.00 44.54 O ATOM 867 CB ALA A 60 4.800 -18.283 11.907 1.00 23.44 C ATOM 0 H ALA A 60 4.928 -17.349 9.617 1.00 34.05 H new ATOM 0 HA ALA A 60 6.878 -18.415 11.419 1.00 4.52 H new ATOM 0 HB1 ALA A 60 4.886 -18.897 12.804 1.00 23.44 H new ATOM 0 HB2 ALA A 60 4.870 -17.230 12.180 1.00 23.44 H new ATOM 0 HB3 ALA A 60 3.838 -18.471 11.430 1.00 23.44 H new ATOM 873 N GLY A 61 7.055 -20.762 10.678 1.00 32.25 N ATOM 874 CA GLY A 61 7.138 -22.180 10.379 1.00 5.33 C ATOM 875 C GLY A 61 8.392 -22.536 9.605 1.00 51.12 C ATOM 876 O GLY A 61 8.678 -23.712 9.380 1.00 72.11 O ATOM 0 H GLY A 61 7.940 -20.326 10.936 1.00 32.25 H new ATOM 0 HA2 GLY A 61 7.116 -22.747 11.310 1.00 5.33 H new ATOM 0 HA3 GLY A 61 6.262 -22.479 9.803 1.00 5.33 H new ATOM 880 N TYR A 62 9.141 -21.518 9.194 1.00 34.43 N ATOM 881 CA TYR A 62 10.368 -21.730 8.437 1.00 43.25 C ATOM 882 C TYR A 62 10.080 -22.445 7.120 1.00 33.02 C ATOM 883 O TYR A 62 10.840 -23.314 6.692 1.00 75.34 O ATOM 884 CB TYR A 62 11.369 -22.541 9.262 1.00 54.12 C ATOM 885 CG TYR A 62 11.427 -22.131 10.716 1.00 33.32 C ATOM 886 CD1 TYR A 62 11.422 -23.085 11.727 1.00 3.52 C ATOM 887 CD2 TYR A 62 11.485 -20.792 11.079 1.00 10.44 C ATOM 888 CE1 TYR A 62 11.475 -22.715 13.057 1.00 35.14 C ATOM 889 CE2 TYR A 62 11.539 -20.413 12.407 1.00 70.12 C ATOM 890 CZ TYR A 62 11.533 -21.378 13.392 1.00 23.31 C ATOM 891 OH TYR A 62 11.585 -21.005 14.716 1.00 65.34 O ATOM 0 H TYR A 62 8.919 -20.539 9.373 1.00 34.43 H new ATOM 0 HA TYR A 62 10.799 -20.754 8.213 1.00 43.25 H new ATOM 0 HB2 TYR A 62 11.106 -23.597 9.201 1.00 54.12 H new ATOM 0 HB3 TYR A 62 12.361 -22.433 8.823 1.00 54.12 H new ATOM 0 HD1 TYR A 62 11.376 -24.133 11.469 1.00 3.52 H new ATOM 0 HD2 TYR A 62 11.488 -20.033 10.310 1.00 10.44 H new ATOM 0 HE1 TYR A 62 11.471 -23.469 13.831 1.00 35.14 H new ATOM 0 HE2 TYR A 62 11.586 -19.367 12.672 1.00 70.12 H new ATOM 0 HH TYR A 62 11.623 -20.028 14.779 1.00 65.34 H new ATOM 901 N THR A 63 8.975 -22.072 6.481 1.00 31.14 N ATOM 902 CA THR A 63 8.584 -22.677 5.214 1.00 12.33 C ATOM 903 C THR A 63 8.394 -21.617 4.135 1.00 61.11 C ATOM 904 O THR A 63 8.150 -20.448 4.434 1.00 34.32 O ATOM 905 CB THR A 63 7.281 -23.487 5.357 1.00 45.12 C ATOM 906 OG1 THR A 63 6.794 -23.861 4.064 1.00 75.44 O ATOM 907 CG2 THR A 63 6.220 -22.681 6.091 1.00 64.11 C ATOM 0 H THR A 63 8.335 -21.354 6.821 1.00 31.14 H new ATOM 0 HA THR A 63 9.391 -23.349 4.922 1.00 12.33 H new ATOM 0 HB THR A 63 7.498 -24.384 5.937 1.00 45.12 H new ATOM 0 HG1 THR A 63 7.505 -24.314 3.565 1.00 75.44 H new ATOM 0 HG21 THR A 63 5.309 -23.274 6.180 1.00 64.11 H new ATOM 0 HG22 THR A 63 6.583 -22.422 7.086 1.00 64.11 H new ATOM 0 HG23 THR A 63 6.006 -21.769 5.534 1.00 64.11 H new ATOM 915 N VAL A 64 8.508 -22.033 2.877 1.00 12.04 N ATOM 916 CA VAL A 64 8.347 -21.119 1.753 1.00 71.44 C ATOM 917 C VAL A 64 7.538 -21.764 0.633 1.00 51.14 C ATOM 918 O VAL A 64 7.495 -22.988 0.507 1.00 63.22 O ATOM 919 CB VAL A 64 9.711 -20.671 1.194 1.00 75.52 C ATOM 920 CG1 VAL A 64 9.534 -19.526 0.209 1.00 71.25 C ATOM 921 CG2 VAL A 64 10.645 -20.272 2.326 1.00 33.31 C ATOM 0 H VAL A 64 8.711 -22.997 2.611 1.00 12.04 H new ATOM 0 HA VAL A 64 7.812 -20.246 2.128 1.00 71.44 H new ATOM 0 HB VAL A 64 10.160 -21.510 0.662 1.00 75.52 H new ATOM 0 HG11 VAL A 64 10.508 -19.223 -0.175 1.00 71.25 H new ATOM 0 HG12 VAL A 64 8.903 -19.852 -0.618 1.00 71.25 H new ATOM 0 HG13 VAL A 64 9.064 -18.682 0.713 1.00 71.25 H new ATOM 0 HG21 VAL A 64 11.604 -19.958 1.913 1.00 33.31 H new ATOM 0 HG22 VAL A 64 10.205 -19.448 2.888 1.00 33.31 H new ATOM 0 HG23 VAL A 64 10.797 -21.123 2.990 1.00 33.31 H new ATOM 931 N THR A 65 6.896 -20.931 -0.181 1.00 63.23 N ATOM 932 CA THR A 65 6.088 -21.419 -1.291 1.00 55.03 C ATOM 933 C THR A 65 6.849 -21.328 -2.608 1.00 44.24 C ATOM 934 O THR A 65 7.177 -22.345 -3.218 1.00 21.55 O ATOM 935 CB THR A 65 4.771 -20.629 -1.417 1.00 42.10 C ATOM 936 OG1 THR A 65 4.741 -19.571 -0.452 1.00 74.14 O ATOM 937 CG2 THR A 65 3.571 -21.541 -1.215 1.00 30.43 C ATOM 0 H THR A 65 6.920 -19.915 -0.092 1.00 63.23 H new ATOM 0 HA THR A 65 5.859 -22.463 -1.079 1.00 55.03 H new ATOM 0 HB THR A 65 4.721 -20.207 -2.421 1.00 42.10 H new ATOM 0 HG1 THR A 65 3.845 -19.175 -0.429 1.00 74.14 H new ATOM 0 HG21 THR A 65 2.653 -20.961 -1.309 1.00 30.43 H new ATOM 0 HG22 THR A 65 3.581 -22.328 -1.969 1.00 30.43 H new ATOM 0 HG23 THR A 65 3.617 -21.989 -0.222 1.00 30.43 H new ATOM 945 N GLU A 66 7.129 -20.102 -3.042 1.00 33.42 N ATOM 946 CA GLU A 66 7.853 -19.880 -4.288 1.00 34.01 C ATOM 947 C GLU A 66 8.044 -18.388 -4.547 1.00 62.51 C ATOM 948 O GLU A 66 7.555 -17.547 -3.792 1.00 32.53 O ATOM 949 CB GLU A 66 7.105 -20.520 -5.459 1.00 71.52 C ATOM 950 CG GLU A 66 5.625 -20.179 -5.496 1.00 72.21 C ATOM 951 CD GLU A 66 4.898 -20.858 -6.641 1.00 50.41 C ATOM 952 OE1 GLU A 66 4.959 -20.335 -7.774 1.00 71.40 O ATOM 953 OE2 GLU A 66 4.269 -21.910 -6.405 1.00 15.33 O ATOM 0 H GLU A 66 6.865 -19.249 -2.549 1.00 33.42 H new ATOM 0 HA GLU A 66 8.835 -20.344 -4.196 1.00 34.01 H new ATOM 0 HB2 GLU A 66 7.567 -20.199 -6.393 1.00 71.52 H new ATOM 0 HB3 GLU A 66 7.218 -21.603 -5.403 1.00 71.52 H new ATOM 0 HG2 GLU A 66 5.165 -20.473 -4.553 1.00 72.21 H new ATOM 0 HG3 GLU A 66 5.507 -19.099 -5.585 1.00 72.21 H new ATOM 960 N LEU A 67 8.760 -18.068 -5.619 1.00 52.33 N ATOM 961 CA LEU A 67 9.018 -16.678 -5.979 1.00 55.43 C ATOM 962 C LEU A 67 7.714 -15.894 -6.094 1.00 31.04 C ATOM 963 O LEU A 67 7.690 -14.679 -5.903 1.00 10.44 O ATOM 964 CB LEU A 67 9.786 -16.606 -7.300 1.00 22.31 C ATOM 965 CG LEU A 67 9.224 -17.444 -8.449 1.00 45.45 C ATOM 966 CD1 LEU A 67 8.136 -16.678 -9.186 1.00 2.45 C ATOM 967 CD2 LEU A 67 10.336 -17.848 -9.407 1.00 53.24 C ATOM 0 H LEU A 67 9.172 -18.752 -6.254 1.00 52.33 H new ATOM 0 HA LEU A 67 9.622 -16.231 -5.189 1.00 55.43 H new ATOM 0 HB2 LEU A 67 9.822 -15.565 -7.620 1.00 22.31 H new ATOM 0 HB3 LEU A 67 10.814 -16.919 -7.117 1.00 22.31 H new ATOM 0 HG LEU A 67 8.783 -18.349 -8.032 1.00 45.45 H new ATOM 0 HD11 LEU A 67 7.748 -17.290 -10.000 1.00 2.45 H new ATOM 0 HD12 LEU A 67 7.328 -16.439 -8.495 1.00 2.45 H new ATOM 0 HD13 LEU A 67 8.552 -15.756 -9.592 1.00 2.45 H new ATOM 0 HD21 LEU A 67 9.918 -18.444 -10.219 1.00 53.24 H new ATOM 0 HD22 LEU A 67 10.805 -16.954 -9.817 1.00 53.24 H new ATOM 0 HD23 LEU A 67 11.082 -18.436 -8.872 1.00 53.24 H new ATOM 979 N ALA A 68 6.631 -16.599 -6.404 1.00 60.14 N ATOM 980 CA ALA A 68 5.323 -15.970 -6.540 1.00 31.33 C ATOM 981 C ALA A 68 4.849 -15.398 -5.208 1.00 52.44 C ATOM 982 O ALA A 68 4.332 -14.282 -5.151 1.00 32.34 O ATOM 983 CB ALA A 68 4.310 -16.970 -7.077 1.00 72.21 C ATOM 0 H ALA A 68 6.634 -17.606 -6.566 1.00 60.14 H new ATOM 0 HA ALA A 68 5.415 -15.146 -7.248 1.00 31.33 H new ATOM 0 HB1 ALA A 68 3.338 -16.487 -7.174 1.00 72.21 H new ATOM 0 HB2 ALA A 68 4.635 -17.329 -8.053 1.00 72.21 H new ATOM 0 HB3 ALA A 68 4.230 -17.812 -6.389 1.00 72.21 H new ATOM 989 N ALA A 69 5.028 -16.168 -4.141 1.00 33.34 N ATOM 990 CA ALA A 69 4.619 -15.737 -2.810 1.00 2.43 C ATOM 991 C ALA A 69 5.464 -14.561 -2.331 1.00 14.43 C ATOM 992 O ALA A 69 4.972 -13.675 -1.630 1.00 64.15 O ATOM 993 CB ALA A 69 4.716 -16.894 -1.826 1.00 43.35 C ATOM 0 H ALA A 69 5.454 -17.094 -4.172 1.00 33.34 H new ATOM 0 HA ALA A 69 3.581 -15.408 -2.865 1.00 2.43 H new ATOM 0 HB1 ALA A 69 4.407 -16.557 -0.836 1.00 43.35 H new ATOM 0 HB2 ALA A 69 4.065 -17.705 -2.153 1.00 43.35 H new ATOM 0 HB3 ALA A 69 5.745 -17.250 -1.783 1.00 43.35 H new ATOM 999 N PHE A 70 6.737 -14.558 -2.712 1.00 33.30 N ATOM 1000 CA PHE A 70 7.650 -13.491 -2.320 1.00 22.53 C ATOM 1001 C PHE A 70 7.175 -12.144 -2.855 1.00 13.02 C ATOM 1002 O PHE A 70 7.544 -11.092 -2.335 1.00 24.22 O ATOM 1003 CB PHE A 70 9.062 -13.786 -2.831 1.00 30.43 C ATOM 1004 CG PHE A 70 10.012 -12.634 -2.667 1.00 74.31 C ATOM 1005 CD1 PHE A 70 10.147 -12.000 -1.443 1.00 4.31 C ATOM 1006 CD2 PHE A 70 10.768 -12.186 -3.738 1.00 2.44 C ATOM 1007 CE1 PHE A 70 11.021 -10.939 -1.289 1.00 33.52 C ATOM 1008 CE2 PHE A 70 11.643 -11.126 -3.589 1.00 63.34 C ATOM 1009 CZ PHE A 70 11.769 -10.502 -2.364 1.00 12.41 C ATOM 0 H PHE A 70 7.160 -15.283 -3.292 1.00 33.30 H new ATOM 0 HA PHE A 70 7.667 -13.444 -1.231 1.00 22.53 H new ATOM 0 HB2 PHE A 70 9.458 -14.652 -2.300 1.00 30.43 H new ATOM 0 HB3 PHE A 70 9.009 -14.056 -3.886 1.00 30.43 H new ATOM 0 HD1 PHE A 70 9.563 -12.338 -0.599 1.00 4.31 H new ATOM 0 HD2 PHE A 70 10.673 -12.670 -4.699 1.00 2.44 H new ATOM 0 HE1 PHE A 70 11.118 -10.453 -0.329 1.00 33.52 H new ATOM 0 HE2 PHE A 70 12.228 -10.786 -4.431 1.00 63.34 H new ATOM 0 HZ PHE A 70 12.452 -9.673 -2.247 1.00 12.41 H new ATOM 1019 N ASN A 71 6.353 -12.185 -3.898 1.00 74.24 N ATOM 1020 CA ASN A 71 5.827 -10.968 -4.506 1.00 33.12 C ATOM 1021 C ASN A 71 4.779 -10.320 -3.606 1.00 0.12 C ATOM 1022 O ASN A 71 4.652 -9.096 -3.563 1.00 53.34 O ATOM 1023 CB ASN A 71 5.218 -11.278 -5.875 1.00 31.33 C ATOM 1024 CG ASN A 71 5.575 -10.235 -6.916 1.00 72.20 C ATOM 1025 OD1 ASN A 71 5.115 -9.095 -6.851 1.00 44.23 O ATOM 1026 ND2 ASN A 71 6.398 -10.623 -7.883 1.00 41.43 N ATOM 0 H ASN A 71 6.036 -13.048 -4.340 1.00 74.24 H new ATOM 0 HA ASN A 71 6.654 -10.269 -4.634 1.00 33.12 H new ATOM 0 HB2 ASN A 71 5.564 -12.256 -6.211 1.00 31.33 H new ATOM 0 HB3 ASN A 71 4.134 -11.338 -5.782 1.00 31.33 H new ATOM 0 HD21 ASN A 71 6.674 -9.966 -8.612 1.00 41.43 H new ATOM 0 HD22 ASN A 71 6.755 -11.579 -7.896 1.00 41.43 H new ATOM 1033 N THR A 72 4.030 -11.150 -2.886 1.00 50.50 N ATOM 1034 CA THR A 72 2.993 -10.658 -1.987 1.00 61.53 C ATOM 1035 C THR A 72 3.600 -10.044 -0.731 1.00 61.02 C ATOM 1036 O THR A 72 3.163 -8.990 -0.270 1.00 11.30 O ATOM 1037 CB THR A 72 2.025 -11.784 -1.578 1.00 20.41 C ATOM 1038 OG1 THR A 72 2.286 -12.960 -2.352 1.00 60.50 O ATOM 1039 CG2 THR A 72 0.579 -11.353 -1.774 1.00 4.15 C ATOM 0 H THR A 72 4.122 -12.166 -2.908 1.00 50.50 H new ATOM 0 HA THR A 72 2.440 -9.892 -2.531 1.00 61.53 H new ATOM 0 HB THR A 72 2.183 -12.002 -0.522 1.00 20.41 H new ATOM 0 HG1 THR A 72 3.126 -13.368 -2.054 1.00 60.50 H new ATOM 0 HG21 THR A 72 -0.086 -12.165 -1.478 1.00 4.15 H new ATOM 0 HG22 THR A 72 0.375 -10.475 -1.161 1.00 4.15 H new ATOM 0 HG23 THR A 72 0.411 -11.110 -2.823 1.00 4.15 H new ATOM 1047 N VAL A 73 4.611 -10.710 -0.182 1.00 1.45 N ATOM 1048 CA VAL A 73 5.280 -10.227 1.021 1.00 32.51 C ATOM 1049 C VAL A 73 6.112 -8.984 0.726 1.00 32.54 C ATOM 1050 O VAL A 73 6.104 -8.022 1.494 1.00 33.33 O ATOM 1051 CB VAL A 73 6.192 -11.310 1.628 1.00 33.14 C ATOM 1052 CG1 VAL A 73 5.369 -12.501 2.097 1.00 52.54 C ATOM 1053 CG2 VAL A 73 7.247 -11.744 0.622 1.00 53.52 C ATOM 0 H VAL A 73 4.985 -11.585 -0.550 1.00 1.45 H new ATOM 0 HA VAL A 73 4.499 -9.975 1.739 1.00 32.51 H new ATOM 0 HB VAL A 73 6.701 -10.887 2.494 1.00 33.14 H new ATOM 0 HG11 VAL A 73 6.031 -13.255 2.523 1.00 52.54 H new ATOM 0 HG12 VAL A 73 4.656 -12.175 2.854 1.00 52.54 H new ATOM 0 HG13 VAL A 73 4.830 -12.927 1.251 1.00 52.54 H new ATOM 0 HG21 VAL A 73 7.882 -12.509 1.068 1.00 53.52 H new ATOM 0 HG22 VAL A 73 6.759 -12.149 -0.265 1.00 53.52 H new ATOM 0 HG23 VAL A 73 7.857 -10.885 0.341 1.00 53.52 H new ATOM 1063 N VAL A 74 6.830 -9.011 -0.392 1.00 53.01 N ATOM 1064 CA VAL A 74 7.667 -7.885 -0.790 1.00 73.51 C ATOM 1065 C VAL A 74 6.823 -6.652 -1.089 1.00 13.42 C ATOM 1066 O VAL A 74 7.238 -5.524 -0.824 1.00 11.15 O ATOM 1067 CB VAL A 74 8.514 -8.227 -2.030 1.00 52.04 C ATOM 1068 CG1 VAL A 74 7.633 -8.335 -3.266 1.00 11.23 C ATOM 1069 CG2 VAL A 74 9.605 -7.187 -2.233 1.00 0.43 C ATOM 0 H VAL A 74 6.849 -9.800 -1.038 1.00 53.01 H new ATOM 0 HA VAL A 74 8.331 -7.672 0.048 1.00 73.51 H new ATOM 0 HB VAL A 74 8.991 -9.194 -1.867 1.00 52.04 H new ATOM 0 HG11 VAL A 74 8.249 -8.577 -4.132 1.00 11.23 H new ATOM 0 HG12 VAL A 74 6.892 -9.120 -3.117 1.00 11.23 H new ATOM 0 HG13 VAL A 74 7.126 -7.385 -3.436 1.00 11.23 H new ATOM 0 HG21 VAL A 74 10.194 -7.444 -3.113 1.00 0.43 H new ATOM 0 HG22 VAL A 74 9.151 -6.206 -2.374 1.00 0.43 H new ATOM 0 HG23 VAL A 74 10.253 -7.164 -1.357 1.00 0.43 H new ATOM 1079 N ALA A 75 5.635 -6.874 -1.642 1.00 50.32 N ATOM 1080 CA ALA A 75 4.731 -5.780 -1.975 1.00 14.01 C ATOM 1081 C ALA A 75 4.331 -4.999 -0.727 1.00 62.24 C ATOM 1082 O ALA A 75 4.308 -3.768 -0.735 1.00 21.31 O ATOM 1083 CB ALA A 75 3.495 -6.314 -2.684 1.00 31.01 C ATOM 0 H ALA A 75 5.276 -7.802 -1.869 1.00 50.32 H new ATOM 0 HA ALA A 75 5.256 -5.099 -2.645 1.00 14.01 H new ATOM 0 HB1 ALA A 75 2.829 -5.486 -2.927 1.00 31.01 H new ATOM 0 HB2 ALA A 75 3.793 -6.821 -3.602 1.00 31.01 H new ATOM 0 HB3 ALA A 75 2.977 -7.017 -2.032 1.00 31.01 H new ATOM 1089 N ARG A 76 4.017 -5.723 0.342 1.00 14.52 N ATOM 1090 CA ARG A 76 3.616 -5.097 1.597 1.00 50.03 C ATOM 1091 C ARG A 76 4.837 -4.667 2.404 1.00 23.12 C ATOM 1092 O ARG A 76 4.747 -3.796 3.270 1.00 42.44 O ATOM 1093 CB ARG A 76 2.760 -6.060 2.421 1.00 74.11 C ATOM 1094 CG ARG A 76 1.294 -6.068 2.019 1.00 72.12 C ATOM 1095 CD ARG A 76 1.109 -6.576 0.598 1.00 73.34 C ATOM 1096 NE ARG A 76 -0.301 -6.658 0.225 1.00 41.24 N ATOM 1097 CZ ARG A 76 -0.729 -7.170 -0.924 1.00 42.51 C ATOM 1098 NH1 ARG A 76 0.140 -7.643 -1.807 1.00 74.10 N ATOM 1099 NH2 ARG A 76 -2.028 -7.209 -1.191 1.00 41.24 N ATOM 0 H ARG A 76 4.032 -6.743 0.365 1.00 14.52 H new ATOM 0 HA ARG A 76 3.028 -4.210 1.360 1.00 50.03 H new ATOM 0 HB2 ARG A 76 3.162 -7.068 2.319 1.00 74.11 H new ATOM 0 HB3 ARG A 76 2.838 -5.791 3.475 1.00 74.11 H new ATOM 0 HG2 ARG A 76 0.730 -6.697 2.708 1.00 72.12 H new ATOM 0 HG3 ARG A 76 0.887 -5.060 2.102 1.00 72.12 H new ATOM 0 HD2 ARG A 76 1.629 -5.914 -0.094 1.00 73.34 H new ATOM 0 HD3 ARG A 76 1.567 -7.560 0.502 1.00 73.34 H new ATOM 0 HE ARG A 76 -0.995 -6.303 0.883 1.00 41.24 H new ATOM 0 HH11 ARG A 76 1.139 -7.614 -1.605 1.00 74.10 H new ATOM 0 HH12 ARG A 76 -0.191 -8.036 -2.688 1.00 74.10 H new ATOM 0 HH21 ARG A 76 -2.699 -6.846 -0.514 1.00 41.24 H new ATOM 0 HH22 ARG A 76 -2.356 -7.602 -2.073 1.00 41.24 H new ATOM 1113 N HIS A 77 5.978 -5.285 2.116 1.00 44.12 N ATOM 1114 CA HIS A 77 7.218 -4.966 2.815 1.00 62.20 C ATOM 1115 C HIS A 77 7.822 -3.668 2.287 1.00 74.20 C ATOM 1116 O HIS A 77 8.165 -2.772 3.058 1.00 25.54 O ATOM 1117 CB HIS A 77 8.223 -6.109 2.662 1.00 51.51 C ATOM 1118 CG HIS A 77 9.356 -6.045 3.639 1.00 1.51 C ATOM 1119 ND1 HIS A 77 10.235 -7.087 3.841 1.00 22.45 N ATOM 1120 CD2 HIS A 77 9.753 -5.053 4.471 1.00 34.33 C ATOM 1121 CE1 HIS A 77 11.122 -6.741 4.757 1.00 23.21 C ATOM 1122 NE2 HIS A 77 10.852 -5.511 5.155 1.00 31.11 N ATOM 0 H HIS A 77 6.070 -6.009 1.404 1.00 44.12 H new ATOM 0 HA HIS A 77 6.986 -4.834 3.872 1.00 62.20 H new ATOM 0 HB2 HIS A 77 7.702 -7.059 2.784 1.00 51.51 H new ATOM 0 HB3 HIS A 77 8.626 -6.094 1.649 1.00 51.51 H new ATOM 0 HD2 HIS A 77 9.291 -4.082 4.577 1.00 34.33 H new ATOM 0 HE1 HIS A 77 11.930 -7.359 5.119 1.00 23.21 H new ATOM 0 HE2 HIS A 77 11.375 -4.987 5.856 1.00 31.11 H new ATOM 1130 N VAL A 78 7.948 -3.574 0.967 1.00 10.20 N ATOM 1131 CA VAL A 78 8.509 -2.386 0.336 1.00 45.52 C ATOM 1132 C VAL A 78 7.886 -1.115 0.903 1.00 22.24 C ATOM 1133 O VAL A 78 6.747 -0.775 0.585 1.00 52.23 O ATOM 1134 CB VAL A 78 8.301 -2.409 -1.190 1.00 41.01 C ATOM 1135 CG1 VAL A 78 9.198 -3.455 -1.836 1.00 15.34 C ATOM 1136 CG2 VAL A 78 6.840 -2.668 -1.524 1.00 32.11 C ATOM 0 H VAL A 78 7.669 -4.306 0.314 1.00 10.20 H new ATOM 0 HA VAL A 78 9.578 -2.390 0.550 1.00 45.52 H new ATOM 0 HB VAL A 78 8.574 -1.433 -1.591 1.00 41.01 H new ATOM 0 HG11 VAL A 78 9.037 -3.457 -2.914 1.00 15.34 H new ATOM 0 HG12 VAL A 78 10.241 -3.220 -1.625 1.00 15.34 H new ATOM 0 HG13 VAL A 78 8.959 -4.439 -1.432 1.00 15.34 H new ATOM 0 HG21 VAL A 78 6.711 -2.681 -2.606 1.00 32.11 H new ATOM 0 HG22 VAL A 78 6.537 -3.630 -1.111 1.00 32.11 H new ATOM 0 HG23 VAL A 78 6.223 -1.879 -1.095 1.00 32.11 H new ATOM 1146 N ARG A 79 8.641 -0.418 1.746 1.00 42.43 N ATOM 1147 CA ARG A 79 8.163 0.816 2.359 1.00 74.43 C ATOM 1148 C ARG A 79 9.330 1.714 2.755 1.00 2.42 C ATOM 1149 O ARG A 79 10.469 1.268 2.899 1.00 75.23 O ATOM 1150 CB ARG A 79 7.307 0.501 3.587 1.00 22.13 C ATOM 1151 CG ARG A 79 5.822 0.742 3.373 1.00 32.51 C ATOM 1152 CD ARG A 79 5.217 1.544 4.515 1.00 61.23 C ATOM 1153 NE ARG A 79 4.063 2.327 4.082 1.00 34.31 N ATOM 1154 CZ ARG A 79 3.221 2.920 4.921 1.00 33.42 C ATOM 1155 NH1 ARG A 79 3.404 2.820 6.231 1.00 71.45 N ATOM 1156 NH2 ARG A 79 2.193 3.615 4.451 1.00 60.11 N ATOM 0 H ARG A 79 9.586 -0.687 2.020 1.00 42.43 H new ATOM 0 HA ARG A 79 7.554 1.345 1.626 1.00 74.43 H new ATOM 0 HB2 ARG A 79 7.460 -0.541 3.869 1.00 22.13 H new ATOM 0 HB3 ARG A 79 7.648 1.111 4.423 1.00 22.13 H new ATOM 0 HG2 ARG A 79 5.670 1.273 2.434 1.00 32.51 H new ATOM 0 HG3 ARG A 79 5.306 -0.214 3.285 1.00 32.51 H new ATOM 0 HD2 ARG A 79 4.916 0.867 5.314 1.00 61.23 H new ATOM 0 HD3 ARG A 79 5.973 2.211 4.930 1.00 61.23 H new ATOM 0 HE ARG A 79 3.894 2.424 3.081 1.00 34.31 H new ATOM 0 HH11 ARG A 79 4.193 2.287 6.596 1.00 71.45 H new ATOM 0 HH12 ARG A 79 2.756 3.276 6.873 1.00 71.45 H new ATOM 0 HH21 ARG A 79 2.049 3.694 3.444 1.00 60.11 H new ATOM 0 HH22 ARG A 79 1.547 4.070 5.096 1.00 60.11 H new ATOM 1170 N PRO A 80 9.043 3.012 2.936 1.00 4.13 N ATOM 1171 CA PRO A 80 10.056 4.001 3.319 1.00 60.34 C ATOM 1172 C PRO A 80 10.543 3.808 4.751 1.00 61.34 C ATOM 1173 O PRO A 80 9.854 4.167 5.705 1.00 55.33 O ATOM 1174 CB PRO A 80 9.319 5.335 3.180 1.00 41.22 C ATOM 1175 CG PRO A 80 7.880 4.993 3.356 1.00 11.35 C ATOM 1176 CD PRO A 80 7.708 3.614 2.782 1.00 4.14 C ATOM 0 HA PRO A 80 10.952 3.927 2.702 1.00 60.34 H new ATOM 0 HB2 PRO A 80 9.651 6.051 3.932 1.00 41.22 H new ATOM 0 HB3 PRO A 80 9.502 5.789 2.206 1.00 41.22 H new ATOM 0 HG2 PRO A 80 7.600 5.015 4.409 1.00 11.35 H new ATOM 0 HG3 PRO A 80 7.242 5.712 2.842 1.00 11.35 H new ATOM 0 HD2 PRO A 80 6.947 3.047 3.319 1.00 4.14 H new ATOM 0 HD3 PRO A 80 7.401 3.649 1.737 1.00 4.14 H new ATOM 1184 N SER A 81 11.736 3.238 4.893 1.00 13.24 N ATOM 1185 CA SER A 81 12.314 2.994 6.210 1.00 55.41 C ATOM 1186 C SER A 81 11.419 2.074 7.034 1.00 35.11 C ATOM 1187 O SER A 81 11.239 2.276 8.235 1.00 42.35 O ATOM 1188 CB SER A 81 12.524 4.316 6.950 1.00 3.54 C ATOM 1189 OG SER A 81 13.729 4.297 7.696 1.00 22.10 O ATOM 0 H SER A 81 12.320 2.937 4.113 1.00 13.24 H new ATOM 0 HA SER A 81 13.278 2.505 6.072 1.00 55.41 H new ATOM 0 HB2 SER A 81 12.549 5.137 6.234 1.00 3.54 H new ATOM 0 HB3 SER A 81 11.682 4.501 7.617 1.00 3.54 H new ATOM 0 HG SER A 81 13.841 5.154 8.158 1.00 22.10 H new ATOM 1195 N ALA A 82 10.859 1.062 6.379 1.00 21.55 N ATOM 1196 CA ALA A 82 9.984 0.108 7.051 1.00 44.14 C ATOM 1197 C ALA A 82 10.791 -0.990 7.734 1.00 24.42 C ATOM 1198 O ALA A 82 11.283 -1.911 7.081 1.00 11.30 O ATOM 1199 CB ALA A 82 9.002 -0.496 6.058 1.00 11.12 C ATOM 0 H ALA A 82 10.995 0.881 5.384 1.00 21.55 H new ATOM 0 HA ALA A 82 9.425 0.643 7.819 1.00 44.14 H new ATOM 0 HB1 ALA A 82 8.355 -1.206 6.573 1.00 11.12 H new ATOM 0 HB2 ALA A 82 8.395 0.296 5.619 1.00 11.12 H new ATOM 0 HB3 ALA A 82 9.552 -1.011 5.270 1.00 11.12 H new ATOM 1205 N SER A 83 10.925 -0.887 9.053 1.00 73.13 N ATOM 1206 CA SER A 83 11.676 -1.870 9.824 1.00 4.14 C ATOM 1207 C SER A 83 10.774 -3.017 10.269 1.00 10.35 C ATOM 1208 O SER A 83 9.953 -2.860 11.174 1.00 4.11 O ATOM 1209 CB SER A 83 12.319 -1.208 11.045 1.00 72.10 C ATOM 1210 OG SER A 83 13.037 -0.044 10.675 1.00 12.20 O ATOM 0 H SER A 83 10.523 -0.132 9.609 1.00 73.13 H new ATOM 0 HA SER A 83 12.460 -2.275 9.184 1.00 4.14 H new ATOM 0 HB2 SER A 83 11.548 -0.948 11.770 1.00 72.10 H new ATOM 0 HB3 SER A 83 12.991 -1.914 11.533 1.00 72.10 H new ATOM 0 HG SER A 83 13.437 0.361 11.473 1.00 12.20 H new ATOM 1216 N ILE A 84 10.932 -4.169 9.627 1.00 22.12 N ATOM 1217 CA ILE A 84 10.133 -5.343 9.957 1.00 42.31 C ATOM 1218 C ILE A 84 11.019 -6.559 10.203 1.00 60.42 C ATOM 1219 O ILE A 84 11.934 -6.857 9.435 1.00 22.40 O ATOM 1220 CB ILE A 84 9.128 -5.672 8.838 1.00 54.32 C ATOM 1221 CG1 ILE A 84 8.230 -4.464 8.558 1.00 63.55 C ATOM 1222 CG2 ILE A 84 8.290 -6.884 9.218 1.00 44.04 C ATOM 1223 CD1 ILE A 84 8.210 -4.052 7.102 1.00 12.24 C ATOM 0 H ILE A 84 11.606 -4.315 8.875 1.00 22.12 H new ATOM 0 HA ILE A 84 9.584 -5.106 10.869 1.00 42.31 H new ATOM 0 HB ILE A 84 9.682 -5.908 7.930 1.00 54.32 H new ATOM 0 HG12 ILE A 84 7.213 -4.695 8.876 1.00 63.55 H new ATOM 0 HG13 ILE A 84 8.569 -3.622 9.161 1.00 63.55 H new ATOM 0 HG21 ILE A 84 7.584 -7.104 8.417 1.00 44.04 H new ATOM 0 HG22 ILE A 84 8.942 -7.743 9.373 1.00 44.04 H new ATOM 0 HG23 ILE A 84 7.742 -6.674 10.137 1.00 44.04 H new ATOM 0 HD11 ILE A 84 7.554 -3.191 6.977 1.00 12.24 H new ATOM 0 HD12 ILE A 84 9.219 -3.789 6.784 1.00 12.24 H new ATOM 0 HD13 ILE A 84 7.843 -4.879 6.495 1.00 12.24 H new ATOM 1235 N PRO A 85 10.741 -7.282 11.298 1.00 4.34 N ATOM 1236 CA PRO A 85 11.500 -8.480 11.670 1.00 1.30 C ATOM 1237 C PRO A 85 11.247 -9.644 10.719 1.00 63.23 C ATOM 1238 O PRO A 85 10.104 -10.047 10.504 1.00 11.04 O ATOM 1239 CB PRO A 85 10.978 -8.810 13.070 1.00 32.14 C ATOM 1240 CG PRO A 85 9.610 -8.221 13.114 1.00 44.54 C ATOM 1241 CD PRO A 85 9.665 -6.985 12.258 1.00 0.24 C ATOM 0 HA PRO A 85 12.576 -8.310 11.631 1.00 1.30 H new ATOM 0 HB2 PRO A 85 10.951 -9.887 13.239 1.00 32.14 H new ATOM 0 HB3 PRO A 85 11.618 -8.382 13.842 1.00 32.14 H new ATOM 0 HG2 PRO A 85 8.869 -8.925 12.736 1.00 44.54 H new ATOM 0 HG3 PRO A 85 9.323 -7.975 14.137 1.00 44.54 H new ATOM 0 HD2 PRO A 85 8.716 -6.803 11.754 1.00 0.24 H new ATOM 0 HD3 PRO A 85 9.888 -6.097 12.849 1.00 0.24 H new ATOM 1249 N VAL A 86 12.322 -10.182 10.150 1.00 31.24 N ATOM 1250 CA VAL A 86 12.216 -11.302 9.223 1.00 63.22 C ATOM 1251 C VAL A 86 12.842 -12.563 9.810 1.00 55.43 C ATOM 1252 O VAL A 86 13.839 -12.497 10.529 1.00 75.20 O ATOM 1253 CB VAL A 86 12.897 -10.983 7.878 1.00 35.22 C ATOM 1254 CG1 VAL A 86 12.797 -12.172 6.934 1.00 4.13 C ATOM 1255 CG2 VAL A 86 12.281 -9.741 7.251 1.00 33.54 C ATOM 0 H VAL A 86 13.276 -9.860 10.315 1.00 31.24 H new ATOM 0 HA VAL A 86 11.153 -11.473 9.053 1.00 63.22 H new ATOM 0 HB VAL A 86 13.953 -10.784 8.063 1.00 35.22 H new ATOM 0 HG11 VAL A 86 13.283 -11.928 5.989 1.00 4.13 H new ATOM 0 HG12 VAL A 86 13.288 -13.035 7.383 1.00 4.13 H new ATOM 0 HG13 VAL A 86 11.748 -12.405 6.752 1.00 4.13 H new ATOM 0 HG21 VAL A 86 12.774 -9.530 6.302 1.00 33.54 H new ATOM 0 HG22 VAL A 86 11.218 -9.910 7.078 1.00 33.54 H new ATOM 0 HG23 VAL A 86 12.409 -8.892 7.923 1.00 33.54 H new ATOM 1265 N VAL A 87 12.249 -13.711 9.498 1.00 41.04 N ATOM 1266 CA VAL A 87 12.749 -14.988 9.993 1.00 73.24 C ATOM 1267 C VAL A 87 13.644 -15.665 8.961 1.00 21.10 C ATOM 1268 O VAL A 87 13.225 -15.922 7.832 1.00 33.44 O ATOM 1269 CB VAL A 87 11.593 -15.940 10.357 1.00 44.44 C ATOM 1270 CG1 VAL A 87 12.133 -17.292 10.795 1.00 65.41 C ATOM 1271 CG2 VAL A 87 10.721 -15.327 11.442 1.00 24.33 C ATOM 0 H VAL A 87 11.422 -13.783 8.905 1.00 41.04 H new ATOM 0 HA VAL A 87 13.331 -14.774 10.890 1.00 73.24 H new ATOM 0 HB VAL A 87 10.977 -16.092 9.471 1.00 44.44 H new ATOM 0 HG11 VAL A 87 11.302 -17.951 11.048 1.00 65.41 H new ATOM 0 HG12 VAL A 87 12.712 -17.733 9.983 1.00 65.41 H new ATOM 0 HG13 VAL A 87 12.773 -17.163 11.668 1.00 65.41 H new ATOM 0 HG21 VAL A 87 9.910 -16.012 11.687 1.00 24.33 H new ATOM 0 HG22 VAL A 87 11.323 -15.144 12.332 1.00 24.33 H new ATOM 0 HG23 VAL A 87 10.305 -14.385 11.085 1.00 24.33 H new ATOM 1281 N PHE A 88 14.880 -15.952 9.356 1.00 42.21 N ATOM 1282 CA PHE A 88 15.836 -16.599 8.465 1.00 25.13 C ATOM 1283 C PHE A 88 16.221 -17.979 8.990 1.00 34.33 C ATOM 1284 O PHE A 88 16.141 -18.243 10.190 1.00 24.11 O ATOM 1285 CB PHE A 88 17.088 -15.733 8.311 1.00 65.23 C ATOM 1286 CG PHE A 88 17.058 -14.846 7.099 1.00 31.01 C ATOM 1287 CD1 PHE A 88 18.164 -14.743 6.272 1.00 44.24 C ATOM 1288 CD2 PHE A 88 15.923 -14.115 6.788 1.00 12.10 C ATOM 1289 CE1 PHE A 88 18.139 -13.928 5.156 1.00 45.44 C ATOM 1290 CE2 PHE A 88 15.892 -13.298 5.673 1.00 31.53 C ATOM 1291 CZ PHE A 88 17.002 -13.204 4.857 1.00 51.32 C ATOM 0 H PHE A 88 15.243 -15.747 10.287 1.00 42.21 H new ATOM 0 HA PHE A 88 15.363 -16.719 7.490 1.00 25.13 H new ATOM 0 HB2 PHE A 88 17.204 -15.115 9.201 1.00 65.23 H new ATOM 0 HB3 PHE A 88 17.963 -16.380 8.256 1.00 65.23 H new ATOM 0 HD1 PHE A 88 19.056 -15.306 6.502 1.00 44.24 H new ATOM 0 HD2 PHE A 88 15.053 -14.184 7.424 1.00 12.10 H new ATOM 0 HE1 PHE A 88 19.008 -13.858 4.519 1.00 45.44 H new ATOM 0 HE2 PHE A 88 15.001 -12.734 5.441 1.00 31.53 H new ATOM 0 HZ PHE A 88 16.981 -12.565 3.986 1.00 51.32 H new ATOM 1301 N SER A 89 16.636 -18.857 8.082 1.00 4.44 N ATOM 1302 CA SER A 89 17.029 -20.211 8.452 1.00 32.51 C ATOM 1303 C SER A 89 18.353 -20.592 7.796 1.00 13.31 C ATOM 1304 O SER A 89 18.660 -20.147 6.690 1.00 5.43 O ATOM 1305 CB SER A 89 15.941 -21.208 8.048 1.00 62.54 C ATOM 1306 OG SER A 89 15.198 -21.638 9.175 1.00 10.21 O ATOM 0 H SER A 89 16.709 -18.654 7.085 1.00 4.44 H new ATOM 0 HA SER A 89 17.158 -20.243 9.534 1.00 32.51 H new ATOM 0 HB2 SER A 89 15.272 -20.746 7.322 1.00 62.54 H new ATOM 0 HB3 SER A 89 16.396 -22.069 7.559 1.00 62.54 H new ATOM 0 HG SER A 89 15.800 -21.753 9.940 1.00 10.21 H new ATOM 1312 N ARG A 90 19.132 -21.418 8.486 1.00 1.23 N ATOM 1313 CA ARG A 90 20.424 -21.858 7.972 1.00 14.35 C ATOM 1314 C ARG A 90 20.488 -23.380 7.896 1.00 23.31 C ATOM 1315 O ARG A 90 21.026 -24.034 8.790 1.00 62.43 O ATOM 1316 CB ARG A 90 21.555 -21.332 8.858 1.00 33.44 C ATOM 1317 CG ARG A 90 22.313 -20.164 8.249 1.00 21.53 C ATOM 1318 CD ARG A 90 23.805 -20.265 8.525 1.00 2.40 C ATOM 1319 NE ARG A 90 24.366 -18.992 8.970 1.00 42.30 N ATOM 1320 CZ ARG A 90 25.654 -18.810 9.239 1.00 23.43 C ATOM 1321 NH1 ARG A 90 26.510 -19.815 9.109 1.00 10.21 N ATOM 1322 NH2 ARG A 90 26.089 -17.622 9.639 1.00 32.24 N ATOM 0 H ARG A 90 18.891 -21.796 9.402 1.00 1.23 H new ATOM 0 HA ARG A 90 20.543 -21.456 6.966 1.00 14.35 H new ATOM 0 HB2 ARG A 90 21.140 -21.024 9.818 1.00 33.44 H new ATOM 0 HB3 ARG A 90 22.255 -22.143 9.059 1.00 33.44 H new ATOM 0 HG2 ARG A 90 22.142 -20.139 7.173 1.00 21.53 H new ATOM 0 HG3 ARG A 90 21.929 -19.228 8.655 1.00 21.53 H new ATOM 0 HD2 ARG A 90 23.982 -21.025 9.286 1.00 2.40 H new ATOM 0 HD3 ARG A 90 24.320 -20.592 7.621 1.00 2.40 H new ATOM 0 HE ARG A 90 23.734 -18.199 9.080 1.00 42.30 H new ATOM 0 HH11 ARG A 90 26.180 -20.730 8.802 1.00 10.21 H new ATOM 0 HH12 ARG A 90 27.499 -19.673 9.316 1.00 10.21 H new ATOM 0 HH21 ARG A 90 25.434 -16.847 9.740 1.00 32.24 H new ATOM 0 HH22 ARG A 90 27.078 -17.484 9.845 1.00 32.24 H new ATOM 1336 N ASP A 91 19.936 -23.938 6.824 1.00 44.41 N ATOM 1337 CA ASP A 91 19.932 -25.383 6.630 1.00 13.12 C ATOM 1338 C ASP A 91 19.172 -26.079 7.755 1.00 60.41 C ATOM 1339 O ASP A 91 19.568 -27.149 8.216 1.00 60.24 O ATOM 1340 CB ASP A 91 21.364 -25.914 6.560 1.00 22.32 C ATOM 1341 CG ASP A 91 22.231 -25.119 5.604 1.00 53.23 C ATOM 1342 OD1 ASP A 91 23.076 -24.333 6.082 1.00 62.53 O ATOM 1343 OD2 ASP A 91 22.064 -25.282 4.377 1.00 30.31 O ATOM 0 H ASP A 91 19.485 -23.411 6.076 1.00 44.41 H new ATOM 0 HA ASP A 91 19.428 -25.597 5.688 1.00 13.12 H new ATOM 0 HB2 ASP A 91 21.807 -25.887 7.555 1.00 22.32 H new ATOM 0 HB3 ASP A 91 21.346 -26.958 6.247 1.00 22.32 H new ATOM 1348 N GLY A 92 18.078 -25.464 8.193 1.00 0.23 N ATOM 1349 CA GLY A 92 17.281 -26.038 9.261 1.00 20.43 C ATOM 1350 C GLY A 92 17.555 -25.389 10.603 1.00 11.31 C ATOM 1351 O GLY A 92 17.146 -25.902 11.645 1.00 63.13 O ATOM 0 H GLY A 92 17.729 -24.578 7.827 1.00 0.23 H new ATOM 0 HA2 GLY A 92 16.224 -25.931 9.019 1.00 20.43 H new ATOM 0 HA3 GLY A 92 17.486 -27.106 9.329 1.00 20.43 H new ATOM 1355 N VAL A 93 18.250 -24.256 10.580 1.00 43.05 N ATOM 1356 CA VAL A 93 18.579 -23.535 11.804 1.00 62.25 C ATOM 1357 C VAL A 93 17.557 -22.441 12.088 1.00 12.24 C ATOM 1358 O VAL A 93 17.056 -21.790 11.171 1.00 31.02 O ATOM 1359 CB VAL A 93 19.982 -22.904 11.723 1.00 12.04 C ATOM 1360 CG1 VAL A 93 20.221 -21.982 12.909 1.00 21.04 C ATOM 1361 CG2 VAL A 93 21.049 -23.986 11.655 1.00 43.44 C ATOM 0 H VAL A 93 18.596 -23.818 9.727 1.00 43.05 H new ATOM 0 HA VAL A 93 18.562 -24.263 12.615 1.00 62.25 H new ATOM 0 HB VAL A 93 20.042 -22.309 10.812 1.00 12.04 H new ATOM 0 HG11 VAL A 93 21.217 -21.545 12.835 1.00 21.04 H new ATOM 0 HG12 VAL A 93 19.475 -21.187 12.908 1.00 21.04 H new ATOM 0 HG13 VAL A 93 20.143 -22.552 13.835 1.00 21.04 H new ATOM 0 HG21 VAL A 93 22.034 -23.523 11.598 1.00 43.44 H new ATOM 0 HG22 VAL A 93 20.992 -24.610 12.547 1.00 43.44 H new ATOM 0 HG23 VAL A 93 20.886 -24.602 10.771 1.00 43.44 H new ATOM 1371 N VAL A 94 17.251 -22.242 13.367 1.00 61.32 N ATOM 1372 CA VAL A 94 16.289 -21.225 13.774 1.00 62.12 C ATOM 1373 C VAL A 94 16.995 -19.971 14.278 1.00 63.33 C ATOM 1374 O VAL A 94 17.650 -19.992 15.320 1.00 53.24 O ATOM 1375 CB VAL A 94 15.350 -21.750 14.876 1.00 52.12 C ATOM 1376 CG1 VAL A 94 14.394 -20.657 15.328 1.00 54.31 C ATOM 1377 CG2 VAL A 94 14.584 -22.970 14.386 1.00 25.14 C ATOM 0 H VAL A 94 17.656 -22.772 14.139 1.00 61.32 H new ATOM 0 HA VAL A 94 15.699 -20.976 12.892 1.00 62.12 H new ATOM 0 HB VAL A 94 15.954 -22.048 15.733 1.00 52.12 H new ATOM 0 HG11 VAL A 94 13.738 -21.046 16.107 1.00 54.31 H new ATOM 0 HG12 VAL A 94 14.964 -19.815 15.721 1.00 54.31 H new ATOM 0 HG13 VAL A 94 13.794 -20.325 14.481 1.00 54.31 H new ATOM 0 HG21 VAL A 94 13.925 -23.328 15.177 1.00 25.14 H new ATOM 0 HG22 VAL A 94 13.989 -22.700 13.513 1.00 25.14 H new ATOM 0 HG23 VAL A 94 15.288 -23.757 14.116 1.00 25.14 H new ATOM 1387 N MET A 95 16.857 -18.881 13.531 1.00 44.31 N ATOM 1388 CA MET A 95 17.481 -17.616 13.903 1.00 21.22 C ATOM 1389 C MET A 95 16.578 -16.439 13.549 1.00 34.31 C ATOM 1390 O MET A 95 15.824 -16.494 12.577 1.00 0.43 O ATOM 1391 CB MET A 95 18.833 -17.465 13.204 1.00 44.51 C ATOM 1392 CG MET A 95 19.448 -16.083 13.362 1.00 31.34 C ATOM 1393 SD MET A 95 21.250 -16.127 13.418 1.00 14.10 S ATOM 1394 CE MET A 95 21.653 -15.601 11.754 1.00 74.11 C ATOM 0 H MET A 95 16.319 -18.848 12.665 1.00 44.31 H new ATOM 0 HA MET A 95 17.636 -17.620 14.982 1.00 21.22 H new ATOM 0 HB2 MET A 95 19.524 -18.209 13.602 1.00 44.51 H new ATOM 0 HB3 MET A 95 18.710 -17.680 12.142 1.00 44.51 H new ATOM 0 HG2 MET A 95 19.129 -15.451 12.533 1.00 31.34 H new ATOM 0 HG3 MET A 95 19.071 -15.624 14.276 1.00 31.34 H new ATOM 0 HE1 MET A 95 22.736 -15.578 11.632 1.00 74.11 H new ATOM 0 HE2 MET A 95 21.222 -16.300 11.037 1.00 74.11 H new ATOM 0 HE3 MET A 95 21.247 -14.605 11.579 1.00 74.11 H new ATOM 1404 N SER A 96 16.658 -15.377 14.344 1.00 43.12 N ATOM 1405 CA SER A 96 15.845 -14.188 14.116 1.00 34.42 C ATOM 1406 C SER A 96 16.725 -12.964 13.883 1.00 75.14 C ATOM 1407 O SER A 96 17.645 -12.692 14.652 1.00 2.14 O ATOM 1408 CB SER A 96 14.917 -13.944 15.308 1.00 52.22 C ATOM 1409 OG SER A 96 15.611 -13.321 16.375 1.00 55.22 O ATOM 0 H SER A 96 17.278 -15.316 15.152 1.00 43.12 H new ATOM 0 HA SER A 96 15.243 -14.355 13.223 1.00 34.42 H new ATOM 0 HB2 SER A 96 14.080 -13.317 14.999 1.00 52.22 H new ATOM 0 HB3 SER A 96 14.498 -14.892 15.647 1.00 52.22 H new ATOM 0 HG SER A 96 14.996 -13.174 17.124 1.00 55.22 H new ATOM 1415 N ALA A 97 16.434 -12.229 12.814 1.00 34.40 N ATOM 1416 CA ALA A 97 17.196 -11.033 12.479 1.00 70.11 C ATOM 1417 C ALA A 97 16.285 -9.934 11.943 1.00 41.03 C ATOM 1418 O ALA A 97 15.366 -10.198 11.167 1.00 14.10 O ATOM 1419 CB ALA A 97 18.280 -11.365 11.464 1.00 72.01 C ATOM 0 H ALA A 97 15.676 -12.441 12.166 1.00 34.40 H new ATOM 0 HA ALA A 97 17.668 -10.665 13.390 1.00 70.11 H new ATOM 0 HB1 ALA A 97 18.841 -10.462 11.223 1.00 72.01 H new ATOM 0 HB2 ALA A 97 18.955 -12.111 11.883 1.00 72.01 H new ATOM 0 HB3 ALA A 97 17.821 -11.760 10.558 1.00 72.01 H new ATOM 1425 N THR A 98 16.545 -8.699 12.361 1.00 24.22 N ATOM 1426 CA THR A 98 15.748 -7.560 11.925 1.00 70.24 C ATOM 1427 C THR A 98 16.258 -7.008 10.599 1.00 45.52 C ATOM 1428 O THR A 98 17.432 -6.656 10.473 1.00 71.00 O ATOM 1429 CB THR A 98 15.756 -6.433 12.975 1.00 60.23 C ATOM 1430 OG1 THR A 98 15.817 -6.991 14.292 1.00 62.51 O ATOM 1431 CG2 THR A 98 14.515 -5.563 12.844 1.00 30.23 C ATOM 0 H THR A 98 17.303 -8.462 13.002 1.00 24.22 H new ATOM 0 HA THR A 98 14.727 -7.919 11.797 1.00 70.24 H new ATOM 0 HB THR A 98 16.635 -5.812 12.803 1.00 60.23 H new ATOM 0 HG1 THR A 98 15.823 -6.268 14.954 1.00 62.51 H new ATOM 0 HG21 THR A 98 14.543 -4.774 13.596 1.00 30.23 H new ATOM 0 HG22 THR A 98 14.487 -5.116 11.850 1.00 30.23 H new ATOM 0 HG23 THR A 98 13.625 -6.174 12.992 1.00 30.23 H new ATOM 1439 N ILE A 99 15.371 -6.933 9.613 1.00 14.22 N ATOM 1440 CA ILE A 99 15.732 -6.421 8.297 1.00 1.32 C ATOM 1441 C ILE A 99 14.992 -5.123 7.990 1.00 61.31 C ATOM 1442 O ILE A 99 13.764 -5.065 8.059 1.00 43.23 O ATOM 1443 CB ILE A 99 15.427 -7.447 7.190 1.00 32.24 C ATOM 1444 CG1 ILE A 99 16.158 -8.762 7.468 1.00 31.24 C ATOM 1445 CG2 ILE A 99 15.822 -6.892 5.830 1.00 60.50 C ATOM 1446 CD1 ILE A 99 15.897 -9.830 6.429 1.00 1.01 C ATOM 0 H ILE A 99 14.396 -7.221 9.701 1.00 14.22 H new ATOM 0 HA ILE A 99 16.805 -6.229 8.317 1.00 1.32 H new ATOM 0 HB ILE A 99 14.355 -7.644 7.183 1.00 32.24 H new ATOM 0 HG12 ILE A 99 17.230 -8.569 7.518 1.00 31.24 H new ATOM 0 HG13 ILE A 99 15.856 -9.136 8.446 1.00 31.24 H new ATOM 0 HG21 ILE A 99 15.600 -7.629 5.058 1.00 60.50 H new ATOM 0 HG22 ILE A 99 15.260 -5.979 5.632 1.00 60.50 H new ATOM 0 HG23 ILE A 99 16.889 -6.670 5.824 1.00 60.50 H new ATOM 0 HD11 ILE A 99 16.447 -10.734 6.690 1.00 1.01 H new ATOM 0 HD12 ILE A 99 14.830 -10.051 6.395 1.00 1.01 H new ATOM 0 HD13 ILE A 99 16.225 -9.475 5.452 1.00 1.01 H new ATOM 1458 N VAL A 100 15.748 -4.084 7.649 1.00 74.13 N ATOM 1459 CA VAL A 100 15.164 -2.787 7.327 1.00 32.34 C ATOM 1460 C VAL A 100 15.251 -2.500 5.833 1.00 62.43 C ATOM 1461 O VAL A 100 16.338 -2.304 5.290 1.00 44.42 O ATOM 1462 CB VAL A 100 15.861 -1.651 8.099 1.00 64.13 C ATOM 1463 CG1 VAL A 100 17.369 -1.725 7.911 1.00 51.14 C ATOM 1464 CG2 VAL A 100 15.326 -0.299 7.654 1.00 52.42 C ATOM 0 H VAL A 100 16.766 -4.115 7.589 1.00 74.13 H new ATOM 0 HA VAL A 100 14.116 -2.829 7.625 1.00 32.34 H new ATOM 0 HB VAL A 100 15.645 -1.770 9.161 1.00 64.13 H new ATOM 0 HG11 VAL A 100 17.845 -0.915 8.463 1.00 51.14 H new ATOM 0 HG12 VAL A 100 17.735 -2.682 8.283 1.00 51.14 H new ATOM 0 HG13 VAL A 100 17.609 -1.631 6.852 1.00 51.14 H new ATOM 0 HG21 VAL A 100 15.829 0.492 8.210 1.00 52.42 H new ATOM 0 HG22 VAL A 100 15.511 -0.168 6.588 1.00 52.42 H new ATOM 0 HG23 VAL A 100 14.254 -0.251 7.845 1.00 52.42 H new ATOM 1474 N VAL A 101 14.098 -2.478 5.172 1.00 42.34 N ATOM 1475 CA VAL A 101 14.043 -2.213 3.739 1.00 65.12 C ATOM 1476 C VAL A 101 13.584 -0.786 3.461 1.00 71.34 C ATOM 1477 O VAL A 101 12.444 -0.423 3.748 1.00 42.13 O ATOM 1478 CB VAL A 101 13.097 -3.195 3.023 1.00 51.54 C ATOM 1479 CG1 VAL A 101 13.029 -2.882 1.535 1.00 10.05 C ATOM 1480 CG2 VAL A 101 13.544 -4.630 3.254 1.00 31.02 C ATOM 0 H VAL A 101 13.189 -2.640 5.606 1.00 42.34 H new ATOM 0 HA VAL A 101 15.053 -2.347 3.353 1.00 65.12 H new ATOM 0 HB VAL A 101 12.097 -3.079 3.441 1.00 51.54 H new ATOM 0 HG11 VAL A 101 12.356 -3.586 1.045 1.00 10.05 H new ATOM 0 HG12 VAL A 101 12.658 -1.867 1.393 1.00 10.05 H new ATOM 0 HG13 VAL A 101 14.024 -2.969 1.099 1.00 10.05 H new ATOM 0 HG21 VAL A 101 12.864 -5.310 2.741 1.00 31.02 H new ATOM 0 HG22 VAL A 101 14.553 -4.764 2.865 1.00 31.02 H new ATOM 0 HG23 VAL A 101 13.536 -4.846 4.322 1.00 31.02 H new ATOM 1490 N GLY A 102 14.480 0.019 2.899 1.00 50.45 N ATOM 1491 CA GLY A 102 14.148 1.398 2.590 1.00 14.01 C ATOM 1492 C GLY A 102 14.045 1.650 1.099 1.00 44.11 C ATOM 1493 O GLY A 102 15.049 1.618 0.388 1.00 61.32 O ATOM 0 H GLY A 102 15.430 -0.259 2.652 1.00 50.45 H new ATOM 0 HA2 GLY A 102 13.201 1.656 3.065 1.00 14.01 H new ATOM 0 HA3 GLY A 102 14.907 2.055 3.015 1.00 14.01 H new ATOM 1497 N GLU A 103 12.829 1.900 0.624 1.00 10.25 N ATOM 1498 CA GLU A 103 12.600 2.156 -0.793 1.00 3.02 C ATOM 1499 C GLU A 103 12.933 3.603 -1.145 1.00 50.01 C ATOM 1500 O GLU A 103 13.173 3.931 -2.308 1.00 4.43 O ATOM 1501 CB GLU A 103 11.147 1.851 -1.161 1.00 14.44 C ATOM 1502 CG GLU A 103 10.701 0.451 -0.774 1.00 5.13 C ATOM 1503 CD GLU A 103 11.754 -0.599 -1.071 1.00 43.13 C ATOM 1504 OE1 GLU A 103 12.740 -0.683 -0.308 1.00 54.14 O ATOM 1505 OE2 GLU A 103 11.593 -1.336 -2.066 1.00 45.23 O ATOM 0 H GLU A 103 11.987 1.931 1.200 1.00 10.25 H new ATOM 0 HA GLU A 103 13.257 1.501 -1.365 1.00 3.02 H new ATOM 0 HB2 GLU A 103 10.497 2.578 -0.673 1.00 14.44 H new ATOM 0 HB3 GLU A 103 11.019 1.980 -2.236 1.00 14.44 H new ATOM 0 HG2 GLU A 103 10.463 0.431 0.289 1.00 5.13 H new ATOM 0 HG3 GLU A 103 9.785 0.204 -1.311 1.00 5.13 H new ATOM 1512 N LEU A 104 12.944 4.464 -0.134 1.00 4.23 N ATOM 1513 CA LEU A 104 13.247 5.877 -0.335 1.00 70.02 C ATOM 1514 C LEU A 104 14.465 6.295 0.482 1.00 11.05 C ATOM 1515 O LEU A 104 14.349 7.060 1.439 1.00 14.11 O ATOM 1516 CB LEU A 104 12.041 6.737 0.048 1.00 24.25 C ATOM 1517 CG LEU A 104 10.852 6.692 -0.912 1.00 21.44 C ATOM 1518 CD1 LEU A 104 11.305 6.969 -2.336 1.00 45.04 C ATOM 1519 CD2 LEU A 104 10.149 5.345 -0.826 1.00 73.14 C ATOM 0 H LEU A 104 12.747 4.209 0.834 1.00 4.23 H new ATOM 0 HA LEU A 104 13.472 6.028 -1.391 1.00 70.02 H new ATOM 0 HB2 LEU A 104 11.697 6.426 1.035 1.00 24.25 H new ATOM 0 HB3 LEU A 104 12.372 7.772 0.137 1.00 24.25 H new ATOM 0 HG LEU A 104 10.144 7.468 -0.621 1.00 21.44 H new ATOM 0 HD11 LEU A 104 10.445 6.933 -3.005 1.00 45.04 H new ATOM 0 HD12 LEU A 104 11.763 7.957 -2.387 1.00 45.04 H new ATOM 0 HD13 LEU A 104 12.033 6.216 -2.639 1.00 45.04 H new ATOM 0 HD21 LEU A 104 9.305 5.330 -1.516 1.00 73.14 H new ATOM 0 HD22 LEU A 104 10.848 4.552 -1.091 1.00 73.14 H new ATOM 0 HD23 LEU A 104 9.789 5.187 0.191 1.00 73.14 H new ATOM 1531 N GLU A 105 15.632 5.789 0.097 1.00 22.22 N ATOM 1532 CA GLU A 105 16.872 6.111 0.794 1.00 15.55 C ATOM 1533 C GLU A 105 16.749 5.817 2.287 1.00 72.53 C ATOM 1534 O GLU A 105 17.693 5.338 2.914 1.00 32.31 O ATOM 1535 CB GLU A 105 17.234 7.583 0.582 1.00 31.14 C ATOM 1536 CG GLU A 105 18.729 7.851 0.605 1.00 23.21 C ATOM 1537 CD GLU A 105 19.365 7.496 1.935 1.00 3.53 C ATOM 1538 OE1 GLU A 105 18.855 7.957 2.978 1.00 53.43 O ATOM 1539 OE2 GLU A 105 20.373 6.759 1.934 1.00 10.11 O ATOM 0 H GLU A 105 15.745 5.155 -0.694 1.00 22.22 H new ATOM 0 HA GLU A 105 17.664 5.486 0.382 1.00 15.55 H new ATOM 0 HB2 GLU A 105 16.829 7.914 -0.374 1.00 31.14 H new ATOM 0 HB3 GLU A 105 16.754 8.182 1.356 1.00 31.14 H new ATOM 0 HG2 GLU A 105 19.209 7.277 -0.188 1.00 23.21 H new ATOM 0 HG3 GLU A 105 18.909 8.904 0.390 1.00 23.21 H new TER 1546 GLU A 105