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 -120:sc= -0.696 USER MOD Set 1.2: A 55 GLN : amide:sc= -1.92 K(o=-2.6,f=-6.9!) USER MOD Set 2.1: A 18 SER OG : rot -63:sc= 1.31 USER MOD Set 2.2: A 20 CYS SG : rot 18:sc= 0.145 USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.0222 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 21 THR OG1 : rot 180:sc=-0.00318 USER MOD Single : A 24 SER OG : rot 180:sc= -0.0445 USER MOD Single : A 26 GLN : amide:sc= 0.261 K(o=0.26,f=-7!) USER MOD Single : A 29 THR OG1 : rot -33:sc= 0.494 USER MOD Single : A 30 GLN : amide:sc= -1.46 K(o=-1.5,f=-2.2!) USER MOD Single : A 31 THR OG1 : rot 27:sc= 0.352 USER MOD Single : A 32 TYR OH : rot 153:sc= 1.12 USER MOD Single : A 33 THR OG1 : rot 122:sc= 0.297 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.134 X(o=-0.13,f=-0.54) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0902 USER MOD Single : A 71 ASN : amide:sc= -2.43! C(o=-2.4!,f=-2.3!) USER MOD Single : A 72 THR OG1 : rot -88:sc= -0.571 USER MOD Single : A 77 HIS : no HD1:sc= -0.994 K(o=-0.99,f=-2.4) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0.0433 USER MOD Single : A 89 SER OG : rot -49:sc= 1.23 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 2.429 0.052 -2.438 1.00 1.41 N ATOM 2 CA PRO A 1 3.503 -0.217 -3.399 1.00 53.10 C ATOM 3 C PRO A 1 3.049 -1.129 -4.534 1.00 5.11 C ATOM 4 O PRO A 1 1.886 -1.528 -4.596 1.00 72.04 O ATOM 5 CB PRO A 1 4.572 -0.910 -2.551 1.00 44.51 C ATOM 6 CG PRO A 1 3.821 -1.524 -1.421 1.00 11.42 C ATOM 7 CD PRO A 1 2.668 -0.600 -1.140 1.00 2.25 C ATOM 0 H2 PRO A 1 1.542 -0.274 -2.822 1.00 1.41 H new ATOM 0 H3 PRO A 1 2.343 1.059 -2.300 1.00 1.41 H new ATOM 0 HA PRO A 1 3.851 0.693 -3.887 1.00 53.10 H new ATOM 0 HB2 PRO A 1 5.106 -1.665 -3.128 1.00 44.51 H new ATOM 0 HB3 PRO A 1 5.315 -0.198 -2.192 1.00 44.51 H new ATOM 0 HG2 PRO A 1 3.467 -2.521 -1.683 1.00 11.42 H new ATOM 0 HG3 PRO A 1 4.457 -1.633 -0.543 1.00 11.42 H new ATOM 0 HD2 PRO A 1 1.789 -1.147 -0.797 1.00 2.25 H new ATOM 0 HD3 PRO A 1 2.914 0.126 -0.365 1.00 2.25 H new ATOM 15 N LEU A 2 3.975 -1.456 -5.429 1.00 52.12 N ATOM 16 CA LEU A 2 3.670 -2.322 -6.563 1.00 23.33 C ATOM 17 C LEU A 2 4.906 -3.103 -6.999 1.00 1.21 C ATOM 18 O LEU A 2 5.301 -3.061 -8.165 1.00 21.43 O ATOM 19 CB LEU A 2 3.136 -1.495 -7.733 1.00 61.02 C ATOM 20 CG LEU A 2 2.539 -2.287 -8.897 1.00 42.54 C ATOM 21 CD1 LEU A 2 1.113 -2.708 -8.580 1.00 71.44 C ATOM 22 CD2 LEU A 2 2.582 -1.466 -10.178 1.00 44.30 C ATOM 0 H LEU A 2 4.942 -1.135 -5.392 1.00 52.12 H new ATOM 0 HA LEU A 2 2.905 -3.033 -6.250 1.00 23.33 H new ATOM 0 HB2 LEU A 2 2.373 -0.815 -7.353 1.00 61.02 H new ATOM 0 HB3 LEU A 2 3.949 -0.879 -8.118 1.00 61.02 H new ATOM 0 HG LEU A 2 3.137 -3.186 -9.045 1.00 42.54 H new ATOM 0 HD11 LEU A 2 0.704 -3.270 -9.420 1.00 71.44 H new ATOM 0 HD12 LEU A 2 1.108 -3.334 -7.687 1.00 71.44 H new ATOM 0 HD13 LEU A 2 0.502 -1.822 -8.405 1.00 71.44 H new ATOM 0 HD21 LEU A 2 2.153 -2.045 -10.996 1.00 44.30 H new ATOM 0 HD22 LEU A 2 2.008 -0.550 -10.042 1.00 44.30 H new ATOM 0 HD23 LEU A 2 3.616 -1.215 -10.415 1.00 44.30 H new ATOM 34 N THR A 3 5.513 -3.817 -6.055 1.00 53.44 N ATOM 35 CA THR A 3 6.703 -4.608 -6.342 1.00 13.41 C ATOM 36 C THR A 3 6.375 -6.096 -6.389 1.00 44.32 C ATOM 37 O THR A 3 5.410 -6.548 -5.774 1.00 21.53 O ATOM 38 CB THR A 3 7.803 -4.369 -5.290 1.00 53.34 C ATOM 39 OG1 THR A 3 7.952 -2.965 -5.048 1.00 31.42 O ATOM 40 CG2 THR A 3 9.129 -4.952 -5.753 1.00 22.42 C ATOM 0 H THR A 3 5.200 -3.863 -5.085 1.00 53.44 H new ATOM 0 HA THR A 3 7.068 -4.288 -7.318 1.00 13.41 H new ATOM 0 HB THR A 3 7.507 -4.867 -4.367 1.00 53.34 H new ATOM 0 HG1 THR A 3 8.652 -2.821 -4.377 1.00 31.42 H new ATOM 0 HG21 THR A 3 9.891 -4.771 -4.994 1.00 22.42 H new ATOM 0 HG22 THR A 3 9.020 -6.025 -5.909 1.00 22.42 H new ATOM 0 HG23 THR A 3 9.428 -4.478 -6.688 1.00 22.42 H new ATOM 48 N ARG A 4 7.185 -6.852 -7.123 1.00 5.12 N ATOM 49 CA ARG A 4 6.981 -8.290 -7.250 1.00 40.24 C ATOM 50 C ARG A 4 8.124 -9.062 -6.598 1.00 2.54 C ATOM 51 O ARG A 4 9.231 -8.551 -6.424 1.00 11.13 O ATOM 52 CB ARG A 4 6.864 -8.681 -8.725 1.00 11.03 C ATOM 53 CG ARG A 4 7.872 -7.982 -9.622 1.00 52.23 C ATOM 54 CD ARG A 4 7.273 -6.746 -10.275 1.00 41.30 C ATOM 55 NE ARG A 4 7.281 -6.838 -11.732 1.00 74.35 N ATOM 56 CZ ARG A 4 6.680 -5.960 -12.528 1.00 4.22 C ATOM 57 NH1 ARG A 4 6.029 -4.928 -12.009 1.00 74.22 N ATOM 58 NH2 ARG A 4 6.732 -6.112 -13.845 1.00 31.11 N ATOM 0 H ARG A 4 7.988 -6.493 -7.639 1.00 5.12 H new ATOM 0 HA ARG A 4 6.054 -8.546 -6.737 1.00 40.24 H new ATOM 0 HB2 ARG A 4 6.994 -9.759 -8.818 1.00 11.03 H new ATOM 0 HB3 ARG A 4 5.858 -8.450 -9.075 1.00 11.03 H new ATOM 0 HG2 ARG A 4 8.746 -7.698 -9.036 1.00 52.23 H new ATOM 0 HG3 ARG A 4 8.215 -8.672 -10.393 1.00 52.23 H new ATOM 0 HD2 ARG A 4 6.249 -6.612 -9.926 1.00 41.30 H new ATOM 0 HD3 ARG A 4 7.834 -5.864 -9.964 1.00 41.30 H new ATOM 0 HE ARG A 4 7.775 -7.619 -12.163 1.00 74.35 H new ATOM 0 HH11 ARG A 4 5.989 -4.807 -10.997 1.00 74.22 H new ATOM 0 HH12 ARG A 4 5.568 -4.255 -12.622 1.00 74.22 H new ATOM 0 HH21 ARG A 4 7.234 -6.904 -14.248 1.00 31.11 H new ATOM 0 HH22 ARG A 4 6.270 -5.437 -14.455 1.00 31.11 H new ATOM 72 N PRO A 5 7.852 -10.321 -6.227 1.00 30.43 N ATOM 73 CA PRO A 5 8.845 -11.190 -5.587 1.00 74.33 C ATOM 74 C PRO A 5 9.953 -11.609 -6.547 1.00 50.54 C ATOM 75 O PRO A 5 9.860 -12.645 -7.205 1.00 34.53 O ATOM 76 CB PRO A 5 8.024 -12.408 -5.155 1.00 11.00 C ATOM 77 CG PRO A 5 6.862 -12.433 -6.087 1.00 44.55 C ATOM 78 CD PRO A 5 6.554 -10.995 -6.403 1.00 45.12 C ATOM 0 HA PRO A 5 9.356 -10.689 -4.765 1.00 74.33 H new ATOM 0 HB2 PRO A 5 8.609 -13.325 -5.227 1.00 11.00 H new ATOM 0 HB3 PRO A 5 7.698 -12.318 -4.119 1.00 11.00 H new ATOM 0 HG2 PRO A 5 7.101 -12.989 -6.993 1.00 44.55 H new ATOM 0 HG3 PRO A 5 6.004 -12.924 -5.628 1.00 44.55 H new ATOM 0 HD2 PRO A 5 6.175 -10.879 -7.419 1.00 45.12 H new ATOM 0 HD3 PRO A 5 5.797 -10.590 -5.732 1.00 45.12 H new ATOM 86 N TYR A 6 11.001 -10.796 -6.623 1.00 62.21 N ATOM 87 CA TYR A 6 12.127 -11.081 -7.505 1.00 30.43 C ATOM 88 C TYR A 6 13.435 -11.128 -6.721 1.00 32.25 C ATOM 89 O TYR A 6 13.770 -10.192 -5.993 1.00 65.42 O ATOM 90 CB TYR A 6 12.218 -10.026 -8.608 1.00 3.43 C ATOM 91 CG TYR A 6 12.882 -10.525 -9.871 1.00 71.50 C ATOM 92 CD1 TYR A 6 14.248 -10.773 -9.911 1.00 4.34 C ATOM 93 CD2 TYR A 6 12.142 -10.752 -11.025 1.00 54.40 C ATOM 94 CE1 TYR A 6 14.859 -11.229 -11.063 1.00 12.41 C ATOM 95 CE2 TYR A 6 12.743 -11.209 -12.181 1.00 43.05 C ATOM 96 CZ TYR A 6 14.102 -11.446 -12.196 1.00 1.55 C ATOM 97 OH TYR A 6 14.706 -11.901 -13.345 1.00 21.11 O ATOM 0 H TYR A 6 11.094 -9.935 -6.085 1.00 62.21 H new ATOM 0 HA TYR A 6 11.961 -12.058 -7.959 1.00 30.43 H new ATOM 0 HB2 TYR A 6 11.214 -9.677 -8.849 1.00 3.43 H new ATOM 0 HB3 TYR A 6 12.772 -9.166 -8.232 1.00 3.43 H new ATOM 0 HD1 TYR A 6 14.843 -10.606 -9.025 1.00 4.34 H new ATOM 0 HD2 TYR A 6 11.078 -10.568 -11.018 1.00 54.40 H new ATOM 0 HE1 TYR A 6 15.923 -11.415 -11.077 1.00 12.41 H new ATOM 0 HE2 TYR A 6 12.152 -11.380 -13.069 1.00 43.05 H new ATOM 0 HH TYR A 6 14.033 -12.003 -14.050 1.00 21.11 H new ATOM 107 N LEU A 7 14.170 -12.224 -6.874 1.00 51.10 N ATOM 108 CA LEU A 7 15.443 -12.395 -6.182 1.00 14.34 C ATOM 109 C LEU A 7 16.607 -11.960 -7.066 1.00 55.04 C ATOM 110 O LEU A 7 16.673 -12.316 -8.242 1.00 32.40 O ATOM 111 CB LEU A 7 15.625 -13.854 -5.760 1.00 54.12 C ATOM 112 CG LEU A 7 16.228 -14.786 -6.812 1.00 10.23 C ATOM 113 CD1 LEU A 7 16.564 -16.136 -6.198 1.00 73.33 C ATOM 114 CD2 LEU A 7 15.275 -14.953 -7.986 1.00 35.52 C ATOM 0 H LEU A 7 13.906 -13.008 -7.471 1.00 51.10 H new ATOM 0 HA LEU A 7 15.432 -11.765 -5.293 1.00 14.34 H new ATOM 0 HB2 LEU A 7 16.260 -13.879 -4.875 1.00 54.12 H new ATOM 0 HB3 LEU A 7 14.653 -14.251 -5.466 1.00 54.12 H new ATOM 0 HG LEU A 7 17.151 -14.338 -7.181 1.00 10.23 H new ATOM 0 HD11 LEU A 7 16.992 -16.786 -6.961 1.00 73.33 H new ATOM 0 HD12 LEU A 7 17.285 -16.000 -5.392 1.00 73.33 H new ATOM 0 HD13 LEU A 7 15.657 -16.591 -5.801 1.00 73.33 H new ATOM 0 HD21 LEU A 7 15.721 -15.619 -8.725 1.00 35.52 H new ATOM 0 HD22 LEU A 7 14.335 -15.378 -7.634 1.00 35.52 H new ATOM 0 HD23 LEU A 7 15.085 -13.981 -8.442 1.00 35.52 H new ATOM 126 N GLY A 8 17.524 -11.189 -6.492 1.00 5.45 N ATOM 127 CA GLY A 8 18.675 -10.720 -7.242 1.00 12.32 C ATOM 128 C GLY A 8 19.984 -10.995 -6.528 1.00 73.15 C ATOM 129 O GLY A 8 20.998 -10.356 -6.809 1.00 22.32 O ATOM 0 H GLY A 8 17.491 -10.880 -5.520 1.00 5.45 H new ATOM 0 HA2 GLY A 8 18.689 -11.203 -8.219 1.00 12.32 H new ATOM 0 HA3 GLY A 8 18.578 -9.649 -7.417 1.00 12.32 H new ATOM 133 N PHE A 9 19.962 -11.948 -5.602 1.00 51.41 N ATOM 134 CA PHE A 9 21.155 -12.304 -4.844 1.00 65.31 C ATOM 135 C PHE A 9 21.207 -13.807 -4.586 1.00 70.42 C ATOM 136 O PHE A 9 20.340 -14.555 -5.038 1.00 33.53 O ATOM 137 CB PHE A 9 21.187 -11.546 -3.515 1.00 62.15 C ATOM 138 CG PHE A 9 20.088 -11.943 -2.572 1.00 72.13 C ATOM 139 CD1 PHE A 9 18.777 -11.569 -2.819 1.00 74.33 C ATOM 140 CD2 PHE A 9 20.365 -12.690 -1.439 1.00 63.51 C ATOM 141 CE1 PHE A 9 17.763 -11.933 -1.953 1.00 3.35 C ATOM 142 CE2 PHE A 9 19.356 -13.057 -0.569 1.00 31.21 C ATOM 143 CZ PHE A 9 18.053 -12.679 -0.827 1.00 0.53 C ATOM 0 H PHE A 9 19.131 -12.487 -5.359 1.00 51.41 H new ATOM 0 HA PHE A 9 22.027 -12.024 -5.435 1.00 65.31 H new ATOM 0 HB2 PHE A 9 22.149 -11.717 -3.032 1.00 62.15 H new ATOM 0 HB3 PHE A 9 21.116 -10.477 -3.714 1.00 62.15 H new ATOM 0 HD1 PHE A 9 18.545 -10.986 -3.698 1.00 74.33 H new ATOM 0 HD2 PHE A 9 21.382 -12.989 -1.233 1.00 63.51 H new ATOM 0 HE1 PHE A 9 16.745 -11.635 -2.156 1.00 3.35 H new ATOM 0 HE2 PHE A 9 19.586 -13.639 0.311 1.00 31.21 H new ATOM 0 HZ PHE A 9 17.262 -12.966 -0.150 1.00 0.53 H new ATOM 153 N ARG A 10 22.230 -14.242 -3.858 1.00 0.03 N ATOM 154 CA ARG A 10 22.397 -15.655 -3.541 1.00 35.32 C ATOM 155 C ARG A 10 22.262 -15.895 -2.040 1.00 20.41 C ATOM 156 O ARG A 10 22.762 -15.116 -1.229 1.00 23.45 O ATOM 157 CB ARG A 10 23.759 -16.152 -4.027 1.00 42.25 C ATOM 158 CG ARG A 10 23.828 -16.367 -5.530 1.00 74.55 C ATOM 159 CD ARG A 10 24.826 -17.456 -5.892 1.00 41.12 C ATOM 160 NE ARG A 10 24.640 -17.937 -7.258 1.00 72.44 N ATOM 161 CZ ARG A 10 23.631 -18.717 -7.632 1.00 11.42 C ATOM 162 NH1 ARG A 10 22.722 -19.100 -6.746 1.00 11.00 N ATOM 163 NH2 ARG A 10 23.530 -19.114 -8.894 1.00 14.41 N ATOM 0 H ARG A 10 22.956 -13.636 -3.476 1.00 0.03 H new ATOM 0 HA ARG A 10 21.612 -16.211 -4.053 1.00 35.32 H new ATOM 0 HB2 ARG A 10 24.524 -15.432 -3.736 1.00 42.25 H new ATOM 0 HB3 ARG A 10 23.995 -17.089 -3.523 1.00 42.25 H new ATOM 0 HG2 ARG A 10 22.841 -16.637 -5.906 1.00 74.55 H new ATOM 0 HG3 ARG A 10 24.111 -15.435 -6.019 1.00 74.55 H new ATOM 0 HD2 ARG A 10 25.839 -17.071 -5.778 1.00 41.12 H new ATOM 0 HD3 ARG A 10 24.721 -18.289 -5.197 1.00 41.12 H new ATOM 0 HE ARG A 10 25.322 -17.659 -7.964 1.00 72.44 H new ATOM 0 HH11 ARG A 10 22.796 -18.796 -5.775 1.00 11.00 H new ATOM 0 HH12 ARG A 10 21.948 -19.699 -7.035 1.00 11.00 H new ATOM 0 HH21 ARG A 10 24.227 -18.821 -9.578 1.00 14.41 H new ATOM 0 HH22 ARG A 10 22.755 -19.713 -9.180 1.00 14.41 H new ATOM 177 N VAL A 11 21.582 -16.979 -1.678 1.00 3.12 N ATOM 178 CA VAL A 11 21.382 -17.322 -0.275 1.00 22.40 C ATOM 179 C VAL A 11 21.738 -18.781 -0.010 1.00 72.02 C ATOM 180 O VAL A 11 21.182 -19.688 -0.629 1.00 63.11 O ATOM 181 CB VAL A 11 19.926 -17.073 0.162 1.00 44.13 C ATOM 182 CG1 VAL A 11 18.962 -17.830 -0.738 1.00 34.21 C ATOM 183 CG2 VAL A 11 19.732 -17.468 1.618 1.00 43.01 C ATOM 0 H VAL A 11 21.161 -17.634 -2.337 1.00 3.12 H new ATOM 0 HA VAL A 11 22.043 -16.678 0.305 1.00 22.40 H new ATOM 0 HB VAL A 11 19.713 -16.008 0.067 1.00 44.13 H new ATOM 0 HG11 VAL A 11 17.938 -17.642 -0.414 1.00 34.21 H new ATOM 0 HG12 VAL A 11 19.085 -17.493 -1.767 1.00 34.21 H new ATOM 0 HG13 VAL A 11 19.171 -18.898 -0.678 1.00 34.21 H new ATOM 0 HG21 VAL A 11 18.698 -17.285 1.910 1.00 43.01 H new ATOM 0 HG22 VAL A 11 19.963 -18.526 1.742 1.00 43.01 H new ATOM 0 HG23 VAL A 11 20.396 -16.876 2.247 1.00 43.01 H new ATOM 193 N ALA A 12 22.667 -18.999 0.914 1.00 23.32 N ATOM 194 CA ALA A 12 23.096 -20.348 1.263 1.00 33.12 C ATOM 195 C ALA A 12 22.690 -20.701 2.690 1.00 1.12 C ATOM 196 O ALA A 12 23.076 -20.022 3.642 1.00 52.22 O ATOM 197 CB ALA A 12 24.601 -20.485 1.091 1.00 2.12 C ATOM 0 H ALA A 12 23.137 -18.259 1.435 1.00 23.32 H new ATOM 0 HA ALA A 12 22.600 -21.046 0.589 1.00 33.12 H new ATOM 0 HB1 ALA A 12 24.907 -21.497 1.355 1.00 2.12 H new ATOM 0 HB2 ALA A 12 24.868 -20.284 0.054 1.00 2.12 H new ATOM 0 HB3 ALA A 12 25.108 -19.772 1.741 1.00 2.12 H new ATOM 203 N VAL A 13 21.909 -21.767 2.832 1.00 21.12 N ATOM 204 CA VAL A 13 21.451 -22.210 4.144 1.00 63.44 C ATOM 205 C VAL A 13 22.442 -23.184 4.771 1.00 4.14 C ATOM 206 O VAL A 13 22.722 -24.246 4.217 1.00 55.03 O ATOM 207 CB VAL A 13 20.070 -22.886 4.057 1.00 12.31 C ATOM 208 CG1 VAL A 13 20.093 -24.023 3.047 1.00 42.52 C ATOM 209 CG2 VAL A 13 19.636 -23.387 5.426 1.00 33.02 C ATOM 0 H VAL A 13 21.580 -22.340 2.055 1.00 21.12 H new ATOM 0 HA VAL A 13 21.374 -21.321 4.770 1.00 63.44 H new ATOM 0 HB VAL A 13 19.344 -22.147 3.718 1.00 12.31 H new ATOM 0 HG11 VAL A 13 19.108 -24.488 3.000 1.00 42.52 H new ATOM 0 HG12 VAL A 13 20.357 -23.632 2.064 1.00 42.52 H new ATOM 0 HG13 VAL A 13 20.831 -24.765 3.352 1.00 42.52 H new ATOM 0 HG21 VAL A 13 18.658 -23.862 5.346 1.00 33.02 H new ATOM 0 HG22 VAL A 13 20.362 -24.111 5.795 1.00 33.02 H new ATOM 0 HG23 VAL A 13 19.576 -22.547 6.119 1.00 33.02 H new ATOM 219 N GLY A 14 22.972 -22.814 5.934 1.00 74.11 N ATOM 220 CA GLY A 14 23.926 -23.666 6.619 1.00 70.01 C ATOM 221 C GLY A 14 24.016 -23.361 8.101 1.00 31.10 C ATOM 222 O GLY A 14 23.031 -22.956 8.719 1.00 22.11 O ATOM 0 H GLY A 14 22.757 -21.940 6.413 1.00 74.11 H new ATOM 0 HA2 GLY A 14 23.640 -24.709 6.483 1.00 70.01 H new ATOM 0 HA3 GLY A 14 24.909 -23.543 6.165 1.00 70.01 H new ATOM 226 N ARG A 15 25.199 -23.557 8.673 1.00 22.32 N ATOM 227 CA ARG A 15 25.413 -23.303 10.093 1.00 71.31 C ATOM 228 C ARG A 15 26.687 -22.493 10.314 1.00 13.14 C ATOM 229 O ARG A 15 27.697 -22.711 9.646 1.00 25.43 O ATOM 230 CB ARG A 15 25.495 -24.623 10.862 1.00 21.02 C ATOM 231 CG ARG A 15 24.138 -25.190 11.245 1.00 71.42 C ATOM 232 CD ARG A 15 23.585 -26.096 10.155 1.00 25.14 C ATOM 233 NE ARG A 15 22.585 -27.026 10.672 1.00 55.22 N ATOM 234 CZ ARG A 15 21.933 -27.900 9.913 1.00 31.12 C ATOM 235 NH1 ARG A 15 22.176 -27.964 8.611 1.00 21.14 N ATOM 236 NH2 ARG A 15 21.036 -28.713 10.457 1.00 62.23 N ATOM 0 H ARG A 15 26.024 -23.891 8.175 1.00 22.32 H new ATOM 0 HA ARG A 15 24.567 -22.726 10.465 1.00 71.31 H new ATOM 0 HB2 ARG A 15 26.027 -25.355 10.254 1.00 21.02 H new ATOM 0 HB3 ARG A 15 26.084 -24.471 11.766 1.00 21.02 H new ATOM 0 HG2 ARG A 15 24.226 -25.751 12.176 1.00 71.42 H new ATOM 0 HG3 ARG A 15 23.440 -24.373 11.430 1.00 71.42 H new ATOM 0 HD2 ARG A 15 23.141 -25.487 9.368 1.00 25.14 H new ATOM 0 HD3 ARG A 15 24.402 -26.657 9.701 1.00 25.14 H new ATOM 0 HE ARG A 15 22.376 -27.003 11.670 1.00 55.22 H new ATOM 0 HH11 ARG A 15 22.865 -27.341 8.190 1.00 21.14 H new ATOM 0 HH12 ARG A 15 21.674 -28.636 8.031 1.00 21.14 H new ATOM 0 HH21 ARG A 15 20.847 -28.667 11.458 1.00 62.23 H new ATOM 0 HH22 ARG A 15 20.536 -29.384 9.874 1.00 62.23 H new ATOM 250 N ASP A 16 26.630 -21.557 11.256 1.00 60.23 N ATOM 251 CA ASP A 16 27.779 -20.714 11.566 1.00 71.30 C ATOM 252 C ASP A 16 28.614 -21.325 12.688 1.00 55.44 C ATOM 253 O ASP A 16 28.336 -22.431 13.149 1.00 22.45 O ATOM 254 CB ASP A 16 27.317 -19.311 11.963 1.00 73.41 C ATOM 255 CG ASP A 16 26.211 -19.338 13.000 1.00 41.21 C ATOM 256 OD1 ASP A 16 26.447 -19.869 14.105 1.00 34.43 O ATOM 257 OD2 ASP A 16 25.111 -18.826 12.706 1.00 34.14 O ATOM 0 H ASP A 16 25.801 -21.363 11.818 1.00 60.23 H new ATOM 0 HA ASP A 16 28.399 -20.644 10.672 1.00 71.30 H new ATOM 0 HB2 ASP A 16 28.165 -18.750 12.355 1.00 73.41 H new ATOM 0 HB3 ASP A 16 26.967 -18.782 11.076 1.00 73.41 H new ATOM 262 N SER A 17 29.637 -20.596 13.120 1.00 5.22 N ATOM 263 CA SER A 17 30.516 -21.067 14.184 1.00 31.43 C ATOM 264 C SER A 17 29.713 -21.431 15.430 1.00 65.52 C ATOM 265 O SER A 17 30.133 -22.268 16.229 1.00 32.42 O ATOM 266 CB SER A 17 31.555 -19.999 14.528 1.00 43.32 C ATOM 267 OG SER A 17 32.636 -20.554 15.257 1.00 13.15 O ATOM 0 H SER A 17 29.878 -19.677 12.750 1.00 5.22 H new ATOM 0 HA SER A 17 31.029 -21.961 13.828 1.00 31.43 H new ATOM 0 HB2 SER A 17 31.927 -19.541 13.612 1.00 43.32 H new ATOM 0 HB3 SER A 17 31.087 -19.207 15.112 1.00 43.32 H new ATOM 0 HG SER A 17 33.287 -19.851 15.463 1.00 13.15 H new ATOM 273 N SER A 18 28.557 -20.796 15.587 1.00 33.14 N ATOM 274 CA SER A 18 27.696 -21.049 16.737 1.00 20.10 C ATOM 275 C SER A 18 26.743 -22.207 16.458 1.00 72.14 C ATOM 276 O SER A 18 26.327 -22.918 17.371 1.00 11.05 O ATOM 277 CB SER A 18 26.899 -19.792 17.091 1.00 43.11 C ATOM 278 OG SER A 18 25.574 -19.871 16.595 1.00 63.33 O ATOM 0 H SER A 18 28.194 -20.102 14.933 1.00 33.14 H new ATOM 0 HA SER A 18 28.330 -21.318 17.582 1.00 20.10 H new ATOM 0 HB2 SER A 18 26.878 -19.664 18.173 1.00 43.11 H new ATOM 0 HB3 SER A 18 27.394 -18.915 16.675 1.00 43.11 H new ATOM 0 HG SER A 18 25.593 -19.918 15.616 1.00 63.33 H new ATOM 284 N GLY A 19 26.401 -22.390 15.186 1.00 74.22 N ATOM 285 CA GLY A 19 25.499 -23.462 14.807 1.00 20.52 C ATOM 286 C GLY A 19 24.076 -23.213 15.266 1.00 41.42 C ATOM 287 O GLY A 19 23.640 -23.754 16.283 1.00 45.22 O ATOM 0 H GLY A 19 26.733 -21.815 14.411 1.00 74.22 H new ATOM 0 HA2 GLY A 19 25.513 -23.578 13.723 1.00 20.52 H new ATOM 0 HA3 GLY A 19 25.856 -24.400 15.232 1.00 20.52 H new ATOM 291 N CYS A 20 23.351 -22.390 14.516 1.00 34.23 N ATOM 292 CA CYS A 20 21.969 -22.067 14.853 1.00 35.42 C ATOM 293 C CYS A 20 21.120 -21.929 13.593 1.00 31.44 C ATOM 294 O CYS A 20 20.005 -21.409 13.636 1.00 14.13 O ATOM 295 CB CYS A 20 21.909 -20.774 15.667 1.00 31.12 C ATOM 296 SG CYS A 20 22.364 -20.974 17.406 1.00 62.44 S ATOM 0 H CYS A 20 23.697 -21.935 13.671 1.00 34.23 H new ATOM 0 HA CYS A 20 21.567 -22.884 15.453 1.00 35.42 H new ATOM 0 HB2 CYS A 20 22.573 -20.039 15.211 1.00 31.12 H new ATOM 0 HB3 CYS A 20 20.899 -20.369 15.611 1.00 31.12 H new ATOM 0 HG CYS A 20 23.017 -22.088 17.558 1.00 62.44 H new ATOM 302 N THR A 21 21.656 -22.398 12.471 1.00 40.34 N ATOM 303 CA THR A 21 20.950 -22.324 11.198 1.00 71.12 C ATOM 304 C THR A 21 20.765 -20.877 10.754 1.00 22.43 C ATOM 305 O THR A 21 19.901 -20.165 11.266 1.00 31.14 O ATOM 306 CB THR A 21 19.570 -23.004 11.281 1.00 42.13 C ATOM 307 OG1 THR A 21 19.640 -24.152 12.134 1.00 41.13 O ATOM 308 CG2 THR A 21 19.088 -23.421 9.899 1.00 4.33 C ATOM 0 H THR A 21 22.577 -22.833 12.418 1.00 40.34 H new ATOM 0 HA THR A 21 21.563 -22.850 10.466 1.00 71.12 H new ATOM 0 HB THR A 21 18.861 -22.287 11.695 1.00 42.13 H new ATOM 0 HG1 THR A 21 18.759 -24.577 12.183 1.00 41.13 H new ATOM 0 HG21 THR A 21 18.112 -23.899 9.983 1.00 4.33 H new ATOM 0 HG22 THR A 21 19.008 -22.541 9.261 1.00 4.33 H new ATOM 0 HG23 THR A 21 19.799 -24.122 9.462 1.00 4.33 H new ATOM 316 N THR A 22 21.582 -20.447 9.798 1.00 65.52 N ATOM 317 CA THR A 22 21.509 -19.085 9.285 1.00 24.14 C ATOM 318 C THR A 22 21.755 -19.049 7.781 1.00 34.43 C ATOM 319 O THR A 22 22.306 -19.991 7.209 1.00 13.13 O ATOM 320 CB THR A 22 22.531 -18.167 9.983 1.00 61.14 C ATOM 321 OG1 THR A 22 23.843 -18.412 9.464 1.00 42.41 O ATOM 322 CG2 THR A 22 22.524 -18.394 11.487 1.00 65.12 C ATOM 0 H THR A 22 22.303 -21.023 9.363 1.00 65.52 H new ATOM 0 HA THR A 22 20.503 -18.722 9.494 1.00 24.14 H new ATOM 0 HB THR A 22 22.250 -17.132 9.787 1.00 61.14 H new ATOM 0 HG1 THR A 22 24.433 -18.703 10.190 1.00 42.41 H new ATOM 0 HG21 THR A 22 23.253 -17.735 11.958 1.00 65.12 H new ATOM 0 HG22 THR A 22 21.532 -18.179 11.883 1.00 65.12 H new ATOM 0 HG23 THR A 22 22.782 -19.431 11.700 1.00 65.12 H new ATOM 330 N LEU A 23 21.343 -17.958 7.145 1.00 22.14 N ATOM 331 CA LEU A 23 21.519 -17.799 5.706 1.00 63.31 C ATOM 332 C LEU A 23 22.426 -16.612 5.396 1.00 72.41 C ATOM 333 O LEU A 23 22.050 -15.460 5.608 1.00 3.44 O ATOM 334 CB LEU A 23 20.163 -17.612 5.024 1.00 11.50 C ATOM 335 CG LEU A 23 19.413 -18.893 4.657 1.00 11.44 C ATOM 336 CD1 LEU A 23 19.293 -19.806 5.867 1.00 2.04 C ATOM 337 CD2 LEU A 23 18.037 -18.563 4.097 1.00 31.23 C ATOM 0 H LEU A 23 20.885 -17.170 7.603 1.00 22.14 H new ATOM 0 HA LEU A 23 21.991 -18.703 5.320 1.00 63.31 H new ATOM 0 HB2 LEU A 23 19.527 -17.018 5.681 1.00 11.50 H new ATOM 0 HB3 LEU A 23 20.313 -17.030 4.115 1.00 11.50 H new ATOM 0 HG LEU A 23 19.981 -19.416 3.888 1.00 11.44 H new ATOM 0 HD11 LEU A 23 18.756 -20.713 5.587 1.00 2.04 H new ATOM 0 HD12 LEU A 23 20.289 -20.069 6.224 1.00 2.04 H new ATOM 0 HD13 LEU A 23 18.748 -19.292 6.658 1.00 2.04 H new ATOM 0 HD21 LEU A 23 17.517 -19.486 3.841 1.00 31.23 H new ATOM 0 HD22 LEU A 23 17.461 -18.018 4.845 1.00 31.23 H new ATOM 0 HD23 LEU A 23 18.146 -17.948 3.203 1.00 31.23 H new ATOM 349 N SER A 24 23.620 -16.903 4.890 1.00 3.12 N ATOM 350 CA SER A 24 24.581 -15.860 4.552 1.00 44.30 C ATOM 351 C SER A 24 24.316 -15.309 3.154 1.00 13.23 C ATOM 352 O SER A 24 24.065 -16.064 2.215 1.00 71.41 O ATOM 353 CB SER A 24 26.008 -16.405 4.635 1.00 63.22 C ATOM 354 OG SER A 24 26.879 -15.466 5.242 1.00 72.21 O ATOM 0 H SER A 24 23.945 -17.852 4.705 1.00 3.12 H new ATOM 0 HA SER A 24 24.467 -15.049 5.271 1.00 44.30 H new ATOM 0 HB2 SER A 24 26.013 -17.333 5.207 1.00 63.22 H new ATOM 0 HB3 SER A 24 26.368 -16.645 3.634 1.00 63.22 H new ATOM 0 HG SER A 24 27.784 -15.839 5.285 1.00 72.21 H new ATOM 360 N ILE A 25 24.373 -13.988 3.025 1.00 14.44 N ATOM 361 CA ILE A 25 24.139 -13.335 1.743 1.00 3.12 C ATOM 362 C ILE A 25 25.454 -13.040 1.029 1.00 2.34 C ATOM 363 O ILE A 25 26.229 -12.188 1.464 1.00 64.42 O ATOM 364 CB ILE A 25 23.355 -12.021 1.915 1.00 41.51 C ATOM 365 CG1 ILE A 25 22.259 -12.189 2.969 1.00 74.34 C ATOM 366 CG2 ILE A 25 22.757 -11.583 0.586 1.00 5.10 C ATOM 367 CD1 ILE A 25 21.283 -13.301 2.652 1.00 31.25 C ATOM 0 H ILE A 25 24.579 -13.349 3.793 1.00 14.44 H new ATOM 0 HA ILE A 25 23.548 -14.025 1.141 1.00 3.12 H new ATOM 0 HB ILE A 25 24.043 -11.247 2.254 1.00 41.51 H new ATOM 0 HG12 ILE A 25 22.722 -12.387 3.935 1.00 74.34 H new ATOM 0 HG13 ILE A 25 21.711 -11.252 3.065 1.00 74.34 H new ATOM 0 HG21 ILE A 25 22.206 -10.653 0.724 1.00 5.10 H new ATOM 0 HG22 ILE A 25 23.556 -11.427 -0.139 1.00 5.10 H new ATOM 0 HG23 ILE A 25 22.080 -12.355 0.220 1.00 5.10 H new ATOM 0 HD11 ILE A 25 20.534 -13.363 3.441 1.00 31.25 H new ATOM 0 HD12 ILE A 25 20.792 -13.094 1.701 1.00 31.25 H new ATOM 0 HD13 ILE A 25 21.819 -14.248 2.585 1.00 31.25 H new ATOM 379 N GLN A 26 25.697 -13.748 -0.069 1.00 11.02 N ATOM 380 CA GLN A 26 26.918 -13.561 -0.844 1.00 12.34 C ATOM 381 C GLN A 26 26.810 -12.332 -1.741 1.00 71.31 C ATOM 382 O GLN A 26 27.753 -11.987 -2.451 1.00 45.32 O ATOM 383 CB GLN A 26 27.205 -14.802 -1.690 1.00 42.12 C ATOM 384 CG GLN A 26 27.333 -16.078 -0.875 1.00 25.34 C ATOM 385 CD GLN A 26 26.065 -16.909 -0.887 1.00 2.31 C ATOM 386 OE1 GLN A 26 24.984 -16.417 -0.561 1.00 24.24 O ATOM 387 NE2 GLN A 26 26.190 -18.176 -1.265 1.00 4.52 N ATOM 0 H GLN A 26 25.065 -14.456 -0.442 1.00 11.02 H new ATOM 0 HA GLN A 26 27.742 -13.408 -0.147 1.00 12.34 H new ATOM 0 HB2 GLN A 26 26.406 -14.926 -2.421 1.00 42.12 H new ATOM 0 HB3 GLN A 26 28.127 -14.644 -2.250 1.00 42.12 H new ATOM 0 HG2 GLN A 26 28.157 -16.674 -1.268 1.00 25.34 H new ATOM 0 HG3 GLN A 26 27.586 -15.823 0.154 1.00 25.34 H new ATOM 0 HE21 GLN A 26 27.105 -18.542 -1.527 1.00 4.52 H new ATOM 0 HE22 GLN A 26 25.371 -18.783 -1.293 1.00 4.52 H new ATOM 396 N GLU A 27 25.653 -11.678 -1.704 1.00 5.35 N ATOM 397 CA GLU A 27 25.423 -10.488 -2.515 1.00 60.30 C ATOM 398 C GLU A 27 24.840 -9.358 -1.671 1.00 71.52 C ATOM 399 O GLU A 27 24.747 -9.466 -0.448 1.00 60.13 O ATOM 400 CB GLU A 27 24.480 -10.811 -3.676 1.00 45.04 C ATOM 401 CG GLU A 27 25.057 -10.471 -5.041 1.00 12.15 C ATOM 402 CD GLU A 27 25.277 -11.698 -5.903 1.00 64.31 C ATOM 403 OE1 GLU A 27 26.098 -12.556 -5.514 1.00 75.32 O ATOM 404 OE2 GLU A 27 24.631 -11.801 -6.966 1.00 71.14 O ATOM 0 H GLU A 27 24.861 -11.952 -1.122 1.00 5.35 H new ATOM 0 HA GLU A 27 26.383 -10.161 -2.915 1.00 60.30 H new ATOM 0 HB2 GLU A 27 24.234 -11.873 -3.649 1.00 45.04 H new ATOM 0 HB3 GLU A 27 23.547 -10.264 -3.539 1.00 45.04 H new ATOM 0 HG2 GLU A 27 24.383 -9.786 -5.556 1.00 12.15 H new ATOM 0 HG3 GLU A 27 26.005 -9.948 -4.911 1.00 12.15 H new ATOM 411 N VAL A 28 24.449 -8.274 -2.333 1.00 72.35 N ATOM 412 CA VAL A 28 23.874 -7.124 -1.646 1.00 23.12 C ATOM 413 C VAL A 28 22.512 -6.761 -2.226 1.00 60.11 C ATOM 414 O VAL A 28 22.407 -5.908 -3.108 1.00 62.34 O ATOM 415 CB VAL A 28 24.801 -5.897 -1.734 1.00 21.12 C ATOM 416 CG1 VAL A 28 25.936 -6.012 -0.728 1.00 2.22 C ATOM 417 CG2 VAL A 28 25.343 -5.740 -3.146 1.00 44.24 C ATOM 0 H VAL A 28 24.520 -8.168 -3.345 1.00 72.35 H new ATOM 0 HA VAL A 28 23.756 -7.407 -0.600 1.00 23.12 H new ATOM 0 HB VAL A 28 24.221 -5.007 -1.491 1.00 21.12 H new ATOM 0 HG11 VAL A 28 26.580 -5.136 -0.805 1.00 2.22 H new ATOM 0 HG12 VAL A 28 25.524 -6.072 0.280 1.00 2.22 H new ATOM 0 HG13 VAL A 28 26.518 -6.910 -0.937 1.00 2.22 H new ATOM 0 HG21 VAL A 28 25.996 -4.868 -3.190 1.00 44.24 H new ATOM 0 HG22 VAL A 28 25.908 -6.631 -3.420 1.00 44.24 H new ATOM 0 HG23 VAL A 28 24.514 -5.608 -3.841 1.00 44.24 H new ATOM 427 N THR A 29 21.468 -7.414 -1.724 1.00 41.15 N ATOM 428 CA THR A 29 20.111 -7.161 -2.193 1.00 4.11 C ATOM 429 C THR A 29 19.389 -6.177 -1.280 1.00 32.45 C ATOM 430 O THR A 29 18.266 -5.763 -1.565 1.00 12.24 O ATOM 431 CB THR A 29 19.293 -8.464 -2.275 1.00 44.43 C ATOM 432 OG1 THR A 29 18.040 -8.215 -2.922 1.00 64.13 O ATOM 433 CG2 THR A 29 19.049 -9.037 -0.888 1.00 35.41 C ATOM 0 H THR A 29 21.536 -8.122 -0.993 1.00 41.15 H new ATOM 0 HA THR A 29 20.196 -6.731 -3.191 1.00 4.11 H new ATOM 0 HB THR A 29 19.863 -9.190 -2.855 1.00 44.43 H new ATOM 0 HG1 THR A 29 17.732 -7.311 -2.702 1.00 64.13 H new ATOM 0 HG21 THR A 29 18.470 -9.957 -0.971 1.00 35.41 H new ATOM 0 HG22 THR A 29 20.005 -9.252 -0.410 1.00 35.41 H new ATOM 0 HG23 THR A 29 18.498 -8.314 -0.287 1.00 35.41 H new ATOM 441 N GLN A 30 20.041 -5.808 -0.182 1.00 34.03 N ATOM 442 CA GLN A 30 19.459 -4.872 0.773 1.00 34.43 C ATOM 443 C GLN A 30 18.955 -3.617 0.068 1.00 23.31 C ATOM 444 O GLN A 30 17.939 -3.039 0.456 1.00 44.14 O ATOM 445 CB GLN A 30 20.487 -4.494 1.841 1.00 61.44 C ATOM 446 CG GLN A 30 20.423 -5.367 3.084 1.00 71.35 C ATOM 447 CD GLN A 30 20.197 -6.831 2.758 1.00 14.51 C ATOM 448 OE1 GLN A 30 19.070 -7.324 2.815 1.00 20.14 O ATOM 449 NE2 GLN A 30 21.269 -7.533 2.413 1.00 23.45 N ATOM 0 H GLN A 30 20.972 -6.142 0.068 1.00 34.03 H new ATOM 0 HA GLN A 30 18.612 -5.362 1.252 1.00 34.43 H new ATOM 0 HB2 GLN A 30 21.486 -4.561 1.411 1.00 61.44 H new ATOM 0 HB3 GLN A 30 20.333 -3.454 2.129 1.00 61.44 H new ATOM 0 HG2 GLN A 30 21.352 -5.263 3.645 1.00 71.35 H new ATOM 0 HG3 GLN A 30 19.619 -5.014 3.730 1.00 71.35 H new ATOM 0 HE21 GLN A 30 22.184 -7.083 2.379 1.00 23.45 H new ATOM 0 HE22 GLN A 30 21.178 -8.522 2.182 1.00 23.45 H new ATOM 458 N THR A 31 19.673 -3.200 -0.970 1.00 40.42 N ATOM 459 CA THR A 31 19.300 -2.012 -1.729 1.00 25.23 C ATOM 460 C THR A 31 18.156 -2.311 -2.690 1.00 41.25 C ATOM 461 O THR A 31 18.301 -3.114 -3.612 1.00 74.23 O ATOM 462 CB THR A 31 20.495 -1.458 -2.527 1.00 44.30 C ATOM 463 OG1 THR A 31 20.845 -2.364 -3.579 1.00 31.31 O ATOM 464 CG2 THR A 31 21.697 -1.238 -1.620 1.00 52.11 C ATOM 0 H THR A 31 20.516 -3.667 -1.304 1.00 40.42 H new ATOM 0 HA THR A 31 18.977 -1.263 -1.006 1.00 25.23 H new ATOM 0 HB THR A 31 20.203 -0.499 -2.956 1.00 44.30 H new ATOM 0 HG1 THR A 31 20.056 -2.884 -3.839 1.00 31.31 H new ATOM 0 HG21 THR A 31 22.528 -0.846 -2.206 1.00 52.11 H new ATOM 0 HG22 THR A 31 21.437 -0.525 -0.838 1.00 52.11 H new ATOM 0 HG23 THR A 31 21.988 -2.185 -1.165 1.00 52.11 H new ATOM 472 N TYR A 32 17.020 -1.659 -2.471 1.00 33.23 N ATOM 473 CA TYR A 32 15.849 -1.857 -3.318 1.00 3.44 C ATOM 474 C TYR A 32 14.870 -0.696 -3.173 1.00 11.14 C ATOM 475 O TYR A 32 14.993 0.128 -2.265 1.00 65.24 O ATOM 476 CB TYR A 32 15.154 -3.172 -2.964 1.00 30.40 C ATOM 477 CG TYR A 32 15.221 -3.517 -1.493 1.00 41.42 C ATOM 478 CD1 TYR A 32 14.885 -2.579 -0.524 1.00 45.33 C ATOM 479 CD2 TYR A 32 15.621 -4.779 -1.072 1.00 50.23 C ATOM 480 CE1 TYR A 32 14.946 -2.888 0.821 1.00 71.33 C ATOM 481 CE2 TYR A 32 15.683 -5.098 0.270 1.00 11.44 C ATOM 482 CZ TYR A 32 15.345 -4.149 1.213 1.00 73.10 C ATOM 483 OH TYR A 32 15.407 -4.462 2.551 1.00 35.45 O ATOM 0 H TYR A 32 16.885 -0.989 -1.714 1.00 33.23 H new ATOM 0 HA TYR A 32 16.184 -1.899 -4.354 1.00 3.44 H new ATOM 0 HB2 TYR A 32 14.109 -3.114 -3.267 1.00 30.40 H new ATOM 0 HB3 TYR A 32 15.608 -3.979 -3.539 1.00 30.40 H new ATOM 0 HD1 TYR A 32 14.571 -1.591 -0.828 1.00 45.33 H new ATOM 0 HD2 TYR A 32 15.888 -5.524 -1.807 1.00 50.23 H new ATOM 0 HE1 TYR A 32 14.683 -2.147 1.561 1.00 71.33 H new ATOM 0 HE2 TYR A 32 15.994 -6.085 0.580 1.00 11.44 H new ATOM 0 HH TYR A 32 15.278 -5.426 2.668 1.00 35.45 H new ATOM 493 N THR A 33 13.894 -0.637 -4.074 1.00 65.01 N ATOM 494 CA THR A 33 12.893 0.422 -4.049 1.00 22.33 C ATOM 495 C THR A 33 11.516 -0.115 -4.421 1.00 71.11 C ATOM 496 O THR A 33 11.378 -1.265 -4.835 1.00 64.33 O ATOM 497 CB THR A 33 13.262 1.567 -5.010 1.00 44.21 C ATOM 498 OG1 THR A 33 12.355 2.662 -4.839 1.00 61.33 O ATOM 499 CG2 THR A 33 13.227 1.093 -6.455 1.00 41.43 C ATOM 0 H THR A 33 13.776 -1.311 -4.830 1.00 65.01 H new ATOM 0 HA THR A 33 12.867 0.808 -3.030 1.00 22.33 H new ATOM 0 HB THR A 33 14.275 1.896 -4.777 1.00 44.21 H new ATOM 0 HG1 THR A 33 12.857 3.468 -4.596 1.00 61.33 H new ATOM 0 HG21 THR A 33 13.491 1.919 -7.115 1.00 41.43 H new ATOM 0 HG22 THR A 33 13.940 0.279 -6.588 1.00 41.43 H new ATOM 0 HG23 THR A 33 12.225 0.740 -6.698 1.00 41.43 H new ATOM 507 N GLY A 34 10.497 0.726 -4.271 1.00 44.55 N ATOM 508 CA GLY A 34 9.144 0.318 -4.597 1.00 75.13 C ATOM 509 C GLY A 34 8.578 1.077 -5.781 1.00 52.11 C ATOM 510 O GLY A 34 7.410 1.465 -5.777 1.00 53.43 O ATOM 0 H GLY A 34 10.585 1.683 -3.929 1.00 44.55 H new ATOM 0 HA2 GLY A 34 9.133 -0.750 -4.815 1.00 75.13 H new ATOM 0 HA3 GLY A 34 8.502 0.473 -3.730 1.00 75.13 H new ATOM 514 N SER A 35 9.408 1.291 -6.797 1.00 23.14 N ATOM 515 CA SER A 35 8.986 2.014 -7.990 1.00 73.24 C ATOM 516 C SER A 35 8.760 3.490 -7.680 1.00 10.41 C ATOM 517 O SER A 35 9.578 4.341 -8.027 1.00 60.13 O ATOM 518 CB SER A 35 7.705 1.399 -8.558 1.00 61.23 C ATOM 519 OG SER A 35 7.935 0.832 -9.836 1.00 71.25 O ATOM 0 H SER A 35 10.377 0.974 -6.817 1.00 23.14 H new ATOM 0 HA SER A 35 9.780 1.934 -8.733 1.00 73.24 H new ATOM 0 HB2 SER A 35 7.333 0.632 -7.878 1.00 61.23 H new ATOM 0 HB3 SER A 35 6.931 2.164 -8.630 1.00 61.23 H new ATOM 0 HG SER A 35 7.102 0.444 -10.177 1.00 71.25 H new ATOM 525 N ASN A 36 7.643 3.786 -7.023 1.00 2.41 N ATOM 526 CA ASN A 36 7.308 5.160 -6.665 1.00 70.04 C ATOM 527 C ASN A 36 8.459 5.823 -5.914 1.00 74.31 C ATOM 528 O ASN A 36 8.863 6.939 -6.237 1.00 22.15 O ATOM 529 CB ASN A 36 6.040 5.191 -5.809 1.00 41.35 C ATOM 530 CG ASN A 36 4.992 6.137 -6.363 1.00 72.24 C ATOM 531 OD1 ASN A 36 4.789 6.215 -7.575 1.00 40.51 O ATOM 532 ND2 ASN A 36 4.320 6.861 -5.476 1.00 31.44 N ATOM 0 H ASN A 36 6.955 3.093 -6.728 1.00 2.41 H new ATOM 0 HA ASN A 36 7.131 5.716 -7.586 1.00 70.04 H new ATOM 0 HB2 ASN A 36 5.622 4.186 -5.747 1.00 41.35 H new ATOM 0 HB3 ASN A 36 6.297 5.493 -4.794 1.00 41.35 H new ATOM 0 HD21 ASN A 36 3.602 7.514 -5.790 1.00 31.44 H new ATOM 0 HD22 ASN A 36 4.521 6.764 -4.481 1.00 31.44 H new ATOM 539 N GLY A 37 8.982 5.126 -4.910 1.00 22.21 N ATOM 540 CA GLY A 37 10.081 5.662 -4.129 1.00 24.13 C ATOM 541 C GLY A 37 11.237 6.123 -4.994 1.00 41.12 C ATOM 542 O GLY A 37 11.605 7.297 -4.977 1.00 22.23 O ATOM 0 H GLY A 37 8.664 4.200 -4.624 1.00 22.21 H new ATOM 0 HA2 GLY A 37 9.723 6.500 -3.531 1.00 24.13 H new ATOM 0 HA3 GLY A 37 10.433 4.901 -3.433 1.00 24.13 H new ATOM 546 N GLY A 38 11.813 5.196 -5.754 1.00 31.34 N ATOM 547 CA GLY A 38 12.929 5.533 -6.618 1.00 21.43 C ATOM 548 C GLY A 38 14.081 4.556 -6.484 1.00 51.33 C ATOM 549 O GLY A 38 14.447 4.165 -5.376 1.00 55.13 O ATOM 0 H GLY A 38 11.526 4.218 -5.786 1.00 31.34 H new ATOM 0 HA2 GLY A 38 12.590 5.551 -7.654 1.00 21.43 H new ATOM 0 HA3 GLY A 38 13.279 6.537 -6.380 1.00 21.43 H new ATOM 553 N ALA A 39 14.653 4.160 -7.617 1.00 2.55 N ATOM 554 CA ALA A 39 15.770 3.224 -7.621 1.00 42.12 C ATOM 555 C ALA A 39 16.847 3.649 -6.629 1.00 42.30 C ATOM 556 O ALA A 39 17.350 4.771 -6.687 1.00 43.55 O ATOM 557 CB ALA A 39 16.355 3.108 -9.021 1.00 25.32 C ATOM 0 H ALA A 39 14.361 4.473 -8.543 1.00 2.55 H new ATOM 0 HA ALA A 39 15.395 2.248 -7.313 1.00 42.12 H new ATOM 0 HB1 ALA A 39 17.189 2.406 -9.010 1.00 25.32 H new ATOM 0 HB2 ALA A 39 15.588 2.750 -9.707 1.00 25.32 H new ATOM 0 HB3 ALA A 39 16.708 4.085 -9.350 1.00 25.32 H new ATOM 563 N ASP A 40 17.196 2.747 -5.719 1.00 31.22 N ATOM 564 CA ASP A 40 18.214 3.029 -4.713 1.00 60.35 C ATOM 565 C ASP A 40 19.552 2.410 -5.106 1.00 72.34 C ATOM 566 O ASP A 40 20.463 3.107 -5.554 1.00 2.22 O ATOM 567 CB ASP A 40 17.774 2.498 -3.348 1.00 72.02 C ATOM 568 CG ASP A 40 16.907 3.487 -2.595 1.00 13.23 C ATOM 569 OD1 ASP A 40 15.711 3.606 -2.934 1.00 50.21 O ATOM 570 OD2 ASP A 40 17.424 4.143 -1.666 1.00 51.11 O ATOM 0 H ASP A 40 16.789 1.814 -5.657 1.00 31.22 H new ATOM 0 HA ASP A 40 18.338 4.110 -4.651 1.00 60.35 H new ATOM 0 HB2 ASP A 40 17.224 1.567 -3.484 1.00 72.02 H new ATOM 0 HB3 ASP A 40 18.655 2.264 -2.751 1.00 72.02 H new ATOM 575 N LEU A 41 19.663 1.097 -4.936 1.00 3.14 N ATOM 576 CA LEU A 41 20.891 0.383 -5.271 1.00 55.34 C ATOM 577 C LEU A 41 22.042 0.828 -4.375 1.00 52.11 C ATOM 578 O LEU A 41 23.204 0.524 -4.644 1.00 34.13 O ATOM 579 CB LEU A 41 21.253 0.615 -6.739 1.00 61.03 C ATOM 580 CG LEU A 41 21.681 -0.623 -7.528 1.00 41.14 C ATOM 581 CD1 LEU A 41 22.974 -1.194 -6.966 1.00 54.10 C ATOM 582 CD2 LEU A 41 20.580 -1.673 -7.511 1.00 60.24 C ATOM 0 H LEU A 41 18.918 0.505 -4.568 1.00 3.14 H new ATOM 0 HA LEU A 41 20.720 -0.681 -5.108 1.00 55.34 H new ATOM 0 HB2 LEU A 41 20.393 1.060 -7.239 1.00 61.03 H new ATOM 0 HB3 LEU A 41 22.060 1.346 -6.782 1.00 61.03 H new ATOM 0 HG LEU A 41 21.858 -0.328 -8.562 1.00 41.14 H new ATOM 0 HD11 LEU A 41 23.263 -2.074 -7.540 1.00 54.10 H new ATOM 0 HD12 LEU A 41 23.762 -0.444 -7.031 1.00 54.10 H new ATOM 0 HD13 LEU A 41 22.825 -1.474 -5.923 1.00 54.10 H new ATOM 0 HD21 LEU A 41 20.902 -2.547 -8.077 1.00 60.24 H new ATOM 0 HD22 LEU A 41 20.371 -1.964 -6.482 1.00 60.24 H new ATOM 0 HD23 LEU A 41 19.677 -1.261 -7.962 1.00 60.24 H new ATOM 594 N MET A 42 21.710 1.548 -3.308 1.00 43.13 N ATOM 595 CA MET A 42 22.717 2.032 -2.370 1.00 72.53 C ATOM 596 C MET A 42 22.083 2.915 -1.300 1.00 71.41 C ATOM 597 O MET A 42 21.901 4.115 -1.500 1.00 22.23 O ATOM 598 CB MET A 42 23.804 2.811 -3.113 1.00 22.33 C ATOM 599 CG MET A 42 25.199 2.239 -2.922 1.00 25.34 C ATOM 600 SD MET A 42 26.089 2.044 -4.478 1.00 24.14 S ATOM 601 CE MET A 42 27.393 3.256 -4.276 1.00 60.50 C ATOM 0 H MET A 42 20.753 1.809 -3.072 1.00 43.13 H new ATOM 0 HA MET A 42 23.169 1.168 -1.882 1.00 72.53 H new ATOM 0 HB2 MET A 42 23.568 2.823 -4.177 1.00 22.33 H new ATOM 0 HB3 MET A 42 23.795 3.846 -2.772 1.00 22.33 H new ATOM 0 HG2 MET A 42 25.768 2.893 -2.262 1.00 25.34 H new ATOM 0 HG3 MET A 42 25.126 1.271 -2.426 1.00 25.34 H new ATOM 0 HE1 MET A 42 28.030 3.255 -5.160 1.00 60.50 H new ATOM 0 HE2 MET A 42 26.954 4.245 -4.146 1.00 60.50 H new ATOM 0 HE3 MET A 42 27.989 3.006 -3.399 1.00 60.50 H new ATOM 611 N GLY A 43 21.748 2.312 -0.163 1.00 71.54 N ATOM 612 CA GLY A 43 21.138 3.059 0.921 1.00 74.42 C ATOM 613 C GLY A 43 20.905 2.207 2.153 1.00 73.32 C ATOM 614 O GLY A 43 21.635 2.293 3.140 1.00 30.43 O ATOM 0 H GLY A 43 21.888 1.320 0.026 1.00 71.54 H new ATOM 0 HA2 GLY A 43 21.777 3.902 1.182 1.00 74.42 H new ATOM 0 HA3 GLY A 43 20.187 3.472 0.584 1.00 74.42 H new ATOM 618 N PRO A 44 19.864 1.362 2.105 1.00 52.12 N ATOM 619 CA PRO A 44 19.512 0.476 3.218 1.00 73.41 C ATOM 620 C PRO A 44 20.533 -0.639 3.417 1.00 70.25 C ATOM 621 O PRO A 44 20.472 -1.383 4.395 1.00 14.11 O ATOM 622 CB PRO A 44 18.161 -0.106 2.794 1.00 33.15 C ATOM 623 CG PRO A 44 18.163 -0.026 1.307 1.00 63.11 C ATOM 624 CD PRO A 44 18.951 1.207 0.960 1.00 52.01 C ATOM 0 HA PRO A 44 19.483 1.008 4.169 1.00 73.41 H new ATOM 0 HB2 PRO A 44 18.049 -1.135 3.135 1.00 33.15 H new ATOM 0 HB3 PRO A 44 17.334 0.462 3.220 1.00 33.15 H new ATOM 0 HG2 PRO A 44 18.616 -0.915 0.869 1.00 63.11 H new ATOM 0 HG3 PRO A 44 17.147 0.038 0.918 1.00 63.11 H new ATOM 0 HD2 PRO A 44 19.497 1.085 0.024 1.00 52.01 H new ATOM 0 HD3 PRO A 44 18.305 2.077 0.841 1.00 52.01 H new ATOM 632 N ALA A 45 21.472 -0.749 2.482 1.00 14.11 N ATOM 633 CA ALA A 45 22.508 -1.772 2.556 1.00 14.44 C ATOM 634 C ALA A 45 23.795 -1.207 3.147 1.00 1.21 C ATOM 635 O ALA A 45 24.183 -1.555 4.262 1.00 24.13 O ATOM 636 CB ALA A 45 22.770 -2.358 1.177 1.00 22.02 C ATOM 0 H ALA A 45 21.536 -0.142 1.665 1.00 14.11 H new ATOM 0 HA ALA A 45 22.155 -2.566 3.214 1.00 14.44 H new ATOM 0 HB1 ALA A 45 23.546 -3.121 1.247 1.00 22.02 H new ATOM 0 HB2 ALA A 45 21.854 -2.806 0.792 1.00 22.02 H new ATOM 0 HB3 ALA A 45 23.098 -1.568 0.502 1.00 22.02 H new ATOM 642 N PHE A 46 24.454 -0.334 2.392 1.00 12.21 N ATOM 643 CA PHE A 46 25.699 0.278 2.841 1.00 62.04 C ATOM 644 C PHE A 46 25.537 0.887 4.230 1.00 34.34 C ATOM 645 O PHE A 46 26.490 0.954 5.006 1.00 72.23 O ATOM 646 CB PHE A 46 26.150 1.354 1.850 1.00 75.41 C ATOM 647 CG PHE A 46 27.543 1.854 2.101 1.00 42.10 C ATOM 648 CD1 PHE A 46 28.642 1.127 1.672 1.00 2.40 C ATOM 649 CD2 PHE A 46 27.754 3.051 2.765 1.00 4.54 C ATOM 650 CE1 PHE A 46 29.926 1.585 1.903 1.00 53.45 C ATOM 651 CE2 PHE A 46 29.036 3.515 2.998 1.00 33.24 C ATOM 652 CZ PHE A 46 30.123 2.781 2.565 1.00 14.13 C ATOM 0 H PHE A 46 24.147 -0.035 1.467 1.00 12.21 H new ATOM 0 HA PHE A 46 26.459 -0.502 2.892 1.00 62.04 H new ATOM 0 HB2 PHE A 46 26.094 0.952 0.839 1.00 75.41 H new ATOM 0 HB3 PHE A 46 25.457 2.194 1.898 1.00 75.41 H new ATOM 0 HD1 PHE A 46 28.494 0.192 1.151 1.00 2.40 H new ATOM 0 HD2 PHE A 46 26.907 3.629 3.105 1.00 4.54 H new ATOM 0 HE1 PHE A 46 30.774 1.008 1.566 1.00 53.45 H new ATOM 0 HE2 PHE A 46 29.187 4.450 3.518 1.00 33.24 H new ATOM 0 HZ PHE A 46 31.125 3.142 2.744 1.00 14.13 H new ATOM 662 N ALA A 47 24.322 1.330 4.537 1.00 33.53 N ATOM 663 CA ALA A 47 24.033 1.931 5.833 1.00 13.30 C ATOM 664 C ALA A 47 24.157 0.906 6.955 1.00 72.34 C ATOM 665 O ALA A 47 24.651 1.214 8.038 1.00 4.05 O ATOM 666 CB ALA A 47 22.642 2.548 5.830 1.00 34.43 C ATOM 0 H ALA A 47 23.522 1.284 3.906 1.00 33.53 H new ATOM 0 HA ALA A 47 24.767 2.717 6.013 1.00 13.30 H new ATOM 0 HB1 ALA A 47 22.439 2.993 6.804 1.00 34.43 H new ATOM 0 HB2 ALA A 47 22.587 3.318 5.061 1.00 34.43 H new ATOM 0 HB3 ALA A 47 21.902 1.775 5.623 1.00 34.43 H new ATOM 672 N ALA A 48 23.704 -0.315 6.687 1.00 50.21 N ATOM 673 CA ALA A 48 23.766 -1.386 7.674 1.00 52.05 C ATOM 674 C ALA A 48 25.072 -2.164 7.557 1.00 32.55 C ATOM 675 O ALA A 48 25.433 -2.927 8.453 1.00 2.40 O ATOM 676 CB ALA A 48 22.576 -2.321 7.513 1.00 11.40 C ATOM 0 H ALA A 48 23.290 -0.587 5.795 1.00 50.21 H new ATOM 0 HA ALA A 48 23.729 -0.936 8.666 1.00 52.05 H new ATOM 0 HB1 ALA A 48 22.635 -3.116 8.256 1.00 11.40 H new ATOM 0 HB2 ALA A 48 21.652 -1.761 7.653 1.00 11.40 H new ATOM 0 HB3 ALA A 48 22.588 -2.757 6.514 1.00 11.40 H new ATOM 682 N GLY A 49 25.776 -1.968 6.447 1.00 3.20 N ATOM 683 CA GLY A 49 27.034 -2.659 6.234 1.00 22.43 C ATOM 684 C GLY A 49 26.846 -4.025 5.604 1.00 13.00 C ATOM 685 O GLY A 49 27.801 -4.790 5.465 1.00 32.32 O ATOM 0 H GLY A 49 25.498 -1.343 5.691 1.00 3.20 H new ATOM 0 HA2 GLY A 49 27.674 -2.052 5.594 1.00 22.43 H new ATOM 0 HA3 GLY A 49 27.550 -2.770 7.188 1.00 22.43 H new ATOM 689 N LEU A 50 25.611 -4.333 5.223 1.00 61.33 N ATOM 690 CA LEU A 50 25.299 -5.618 4.605 1.00 44.42 C ATOM 691 C LEU A 50 26.054 -5.787 3.290 1.00 2.12 C ATOM 692 O LEU A 50 25.601 -5.332 2.240 1.00 60.12 O ATOM 693 CB LEU A 50 23.794 -5.736 4.361 1.00 60.43 C ATOM 694 CG LEU A 50 22.965 -6.274 5.528 1.00 62.33 C ATOM 695 CD1 LEU A 50 23.203 -7.765 5.709 1.00 70.54 C ATOM 696 CD2 LEU A 50 23.295 -5.521 6.808 1.00 53.41 C ATOM 0 H LEU A 50 24.810 -3.711 5.331 1.00 61.33 H new ATOM 0 HA LEU A 50 25.613 -6.408 5.287 1.00 44.42 H new ATOM 0 HB2 LEU A 50 23.411 -4.751 4.093 1.00 60.43 H new ATOM 0 HB3 LEU A 50 23.636 -6.385 3.499 1.00 60.43 H new ATOM 0 HG LEU A 50 21.910 -6.120 5.301 1.00 62.33 H new ATOM 0 HD11 LEU A 50 22.605 -8.130 6.544 1.00 70.54 H new ATOM 0 HD12 LEU A 50 22.916 -8.292 4.799 1.00 70.54 H new ATOM 0 HD13 LEU A 50 24.259 -7.943 5.914 1.00 70.54 H new ATOM 0 HD21 LEU A 50 22.696 -5.917 7.628 1.00 53.41 H new ATOM 0 HD22 LEU A 50 24.353 -5.643 7.040 1.00 53.41 H new ATOM 0 HD23 LEU A 50 23.073 -4.462 6.675 1.00 53.41 H new ATOM 708 N ARG A 51 27.207 -6.446 3.356 1.00 14.31 N ATOM 709 CA ARG A 51 28.024 -6.676 2.171 1.00 73.11 C ATOM 710 C ARG A 51 28.144 -8.168 1.875 1.00 75.21 C ATOM 711 O ARG A 51 27.614 -9.002 2.610 1.00 63.23 O ATOM 712 CB ARG A 51 29.415 -6.069 2.359 1.00 63.20 C ATOM 713 CG ARG A 51 29.709 -4.915 1.414 1.00 24.52 C ATOM 714 CD ARG A 51 30.920 -5.205 0.541 1.00 71.33 C ATOM 715 NE ARG A 51 30.994 -4.307 -0.608 1.00 53.31 N ATOM 716 CZ ARG A 51 31.999 -4.306 -1.477 1.00 14.51 C ATOM 717 NH1 ARG A 51 33.009 -5.151 -1.328 1.00 72.22 N ATOM 718 NH2 ARG A 51 31.994 -3.457 -2.497 1.00 60.43 N ATOM 0 H ARG A 51 27.596 -6.830 4.217 1.00 14.31 H new ATOM 0 HA ARG A 51 27.536 -6.193 1.324 1.00 73.11 H new ATOM 0 HB2 ARG A 51 29.514 -5.720 3.387 1.00 63.20 H new ATOM 0 HB3 ARG A 51 30.164 -6.847 2.213 1.00 63.20 H new ATOM 0 HG2 ARG A 51 28.840 -4.730 0.783 1.00 24.52 H new ATOM 0 HG3 ARG A 51 29.884 -4.007 1.990 1.00 24.52 H new ATOM 0 HD2 ARG A 51 31.828 -5.107 1.136 1.00 71.33 H new ATOM 0 HD3 ARG A 51 30.877 -6.237 0.192 1.00 71.33 H new ATOM 0 HE ARG A 51 30.232 -3.644 -0.751 1.00 53.31 H new ATOM 0 HH11 ARG A 51 33.016 -5.804 -0.545 1.00 72.22 H new ATOM 0 HH12 ARG A 51 33.779 -5.148 -1.997 1.00 72.22 H new ATOM 0 HH21 ARG A 51 31.218 -2.805 -2.614 1.00 60.43 H new ATOM 0 HH22 ARG A 51 32.766 -3.457 -3.164 1.00 60.43 H new ATOM 732 N VAL A 52 28.842 -8.497 0.793 1.00 24.51 N ATOM 733 CA VAL A 52 29.032 -9.888 0.400 1.00 64.52 C ATOM 734 C VAL A 52 29.643 -10.702 1.535 1.00 21.13 C ATOM 735 O VAL A 52 30.795 -10.492 1.914 1.00 15.12 O ATOM 736 CB VAL A 52 29.936 -10.002 -0.842 1.00 61.13 C ATOM 737 CG1 VAL A 52 29.203 -9.514 -2.082 1.00 43.35 C ATOM 738 CG2 VAL A 52 31.227 -9.224 -0.635 1.00 32.25 C ATOM 0 H VAL A 52 29.285 -7.819 0.173 1.00 24.51 H new ATOM 0 HA VAL A 52 28.046 -10.286 0.161 1.00 64.52 H new ATOM 0 HB VAL A 52 30.191 -11.051 -0.989 1.00 61.13 H new ATOM 0 HG11 VAL A 52 29.857 -9.602 -2.950 1.00 43.35 H new ATOM 0 HG12 VAL A 52 28.310 -10.119 -2.238 1.00 43.35 H new ATOM 0 HG13 VAL A 52 28.916 -8.471 -1.948 1.00 43.35 H new ATOM 0 HG21 VAL A 52 31.853 -9.316 -1.522 1.00 32.25 H new ATOM 0 HG22 VAL A 52 30.995 -8.173 -0.462 1.00 32.25 H new ATOM 0 HG23 VAL A 52 31.759 -9.625 0.228 1.00 32.25 H new ATOM 748 N GLY A 53 28.863 -11.634 2.075 1.00 52.22 N ATOM 749 CA GLY A 53 29.344 -12.466 3.162 1.00 61.01 C ATOM 750 C GLY A 53 28.695 -12.121 4.488 1.00 42.34 C ATOM 751 O GLY A 53 29.156 -12.555 5.544 1.00 53.24 O ATOM 0 H GLY A 53 27.906 -11.827 1.779 1.00 52.22 H new ATOM 0 HA2 GLY A 53 29.150 -13.513 2.928 1.00 61.01 H new ATOM 0 HA3 GLY A 53 30.425 -12.354 3.250 1.00 61.01 H new ATOM 755 N ASP A 54 27.624 -11.337 4.434 1.00 42.34 N ATOM 756 CA ASP A 54 26.911 -10.932 5.640 1.00 70.44 C ATOM 757 C ASP A 54 25.639 -11.755 5.820 1.00 53.41 C ATOM 758 O ASP A 54 24.920 -12.022 4.857 1.00 25.21 O ATOM 759 CB ASP A 54 26.567 -9.443 5.579 1.00 34.53 C ATOM 760 CG ASP A 54 27.745 -8.561 5.942 1.00 62.53 C ATOM 761 OD1 ASP A 54 28.898 -9.010 5.768 1.00 31.25 O ATOM 762 OD2 ASP A 54 27.515 -7.422 6.398 1.00 71.13 O ATOM 0 H ASP A 54 27.230 -10.969 3.568 1.00 42.34 H new ATOM 0 HA ASP A 54 27.562 -11.111 6.496 1.00 70.44 H new ATOM 0 HB2 ASP A 54 26.226 -9.193 4.574 1.00 34.53 H new ATOM 0 HB3 ASP A 54 25.739 -9.236 6.258 1.00 34.53 H new ATOM 767 N GLN A 55 25.368 -12.152 7.059 1.00 71.52 N ATOM 768 CA GLN A 55 24.183 -12.946 7.364 1.00 2.20 C ATOM 769 C GLN A 55 22.978 -12.047 7.621 1.00 73.44 C ATOM 770 O GLN A 55 23.088 -11.019 8.290 1.00 73.12 O ATOM 771 CB GLN A 55 24.439 -13.836 8.581 1.00 2.25 C ATOM 772 CG GLN A 55 25.587 -14.814 8.389 1.00 1.25 C ATOM 773 CD GLN A 55 25.505 -16.001 9.328 1.00 23.33 C ATOM 774 OE1 GLN A 55 24.828 -15.950 10.355 1.00 12.13 O ATOM 775 NE2 GLN A 55 26.197 -17.080 8.980 1.00 32.24 N ATOM 0 H GLN A 55 25.952 -11.937 7.867 1.00 71.52 H new ATOM 0 HA GLN A 55 23.966 -13.576 6.501 1.00 2.20 H new ATOM 0 HB2 GLN A 55 24.651 -13.205 9.444 1.00 2.25 H new ATOM 0 HB3 GLN A 55 23.531 -14.394 8.810 1.00 2.25 H new ATOM 0 HG2 GLN A 55 25.588 -15.170 7.359 1.00 1.25 H new ATOM 0 HG3 GLN A 55 26.532 -14.295 8.548 1.00 1.25 H new ATOM 0 HE21 GLN A 55 26.745 -17.079 8.120 1.00 32.24 H new ATOM 0 HE22 GLN A 55 26.180 -17.910 9.573 1.00 32.24 H new ATOM 784 N LEU A 56 21.828 -12.441 7.085 1.00 71.44 N ATOM 785 CA LEU A 56 20.601 -11.671 7.255 1.00 34.52 C ATOM 786 C LEU A 56 19.394 -12.594 7.395 1.00 21.03 C ATOM 787 O LEU A 56 18.920 -13.167 6.414 1.00 24.53 O ATOM 788 CB LEU A 56 20.399 -10.726 6.069 1.00 23.25 C ATOM 789 CG LEU A 56 18.984 -10.179 5.880 1.00 70.42 C ATOM 790 CD1 LEU A 56 19.020 -8.679 5.636 1.00 52.24 C ATOM 791 CD2 LEU A 56 18.286 -10.892 4.730 1.00 24.25 C ATOM 0 H LEU A 56 21.720 -13.289 6.529 1.00 71.44 H new ATOM 0 HA LEU A 56 20.694 -11.083 8.168 1.00 34.52 H new ATOM 0 HB2 LEU A 56 21.081 -9.883 6.182 1.00 23.25 H new ATOM 0 HB3 LEU A 56 20.689 -11.251 5.159 1.00 23.25 H new ATOM 0 HG LEU A 56 18.418 -10.364 6.793 1.00 70.42 H new ATOM 0 HD11 LEU A 56 18.004 -8.307 5.504 1.00 52.24 H new ATOM 0 HD12 LEU A 56 19.480 -8.182 6.490 1.00 52.24 H new ATOM 0 HD13 LEU A 56 19.602 -8.470 4.739 1.00 52.24 H new ATOM 0 HD21 LEU A 56 17.280 -10.490 4.610 1.00 24.25 H new ATOM 0 HD22 LEU A 56 18.851 -10.738 3.810 1.00 24.25 H new ATOM 0 HD23 LEU A 56 18.227 -11.959 4.946 1.00 24.25 H new ATOM 803 N VAL A 57 18.900 -12.731 8.622 1.00 75.04 N ATOM 804 CA VAL A 57 17.746 -13.581 8.890 1.00 32.11 C ATOM 805 C VAL A 57 16.495 -12.747 9.143 1.00 3.51 C ATOM 806 O VAL A 57 15.386 -13.150 8.793 1.00 1.01 O ATOM 807 CB VAL A 57 17.993 -14.496 10.104 1.00 22.20 C ATOM 808 CG1 VAL A 57 18.915 -15.646 9.727 1.00 3.33 C ATOM 809 CG2 VAL A 57 18.569 -13.698 11.264 1.00 43.12 C ATOM 0 H VAL A 57 19.281 -12.265 9.445 1.00 75.04 H new ATOM 0 HA VAL A 57 17.595 -14.197 8.004 1.00 32.11 H new ATOM 0 HB VAL A 57 17.038 -14.916 10.421 1.00 22.20 H new ATOM 0 HG11 VAL A 57 19.078 -16.282 10.597 1.00 3.33 H new ATOM 0 HG12 VAL A 57 18.458 -16.232 8.930 1.00 3.33 H new ATOM 0 HG13 VAL A 57 19.870 -15.249 9.384 1.00 3.33 H new ATOM 0 HG21 VAL A 57 18.737 -14.360 12.113 1.00 43.12 H new ATOM 0 HG22 VAL A 57 19.515 -13.248 10.962 1.00 43.12 H new ATOM 0 HG23 VAL A 57 17.868 -12.913 11.549 1.00 43.12 H new ATOM 819 N ARG A 58 16.682 -11.581 9.753 1.00 42.52 N ATOM 820 CA ARG A 58 15.569 -10.689 10.054 1.00 52.44 C ATOM 821 C ARG A 58 14.651 -11.301 11.108 1.00 4.31 C ATOM 822 O ARG A 58 13.559 -10.794 11.365 1.00 21.04 O ATOM 823 CB ARG A 58 14.772 -10.386 8.783 1.00 44.00 C ATOM 824 CG ARG A 58 14.244 -8.962 8.720 1.00 32.31 C ATOM 825 CD ARG A 58 12.843 -8.862 9.302 1.00 34.15 C ATOM 826 NE ARG A 58 12.026 -7.878 8.597 1.00 33.31 N ATOM 827 CZ ARG A 58 10.916 -7.349 9.099 1.00 34.12 C ATOM 828 NH1 ARG A 58 10.493 -7.707 10.304 1.00 74.03 N ATOM 829 NH2 ARG A 58 10.226 -6.459 8.396 1.00 25.32 N ATOM 0 H ARG A 58 17.594 -11.232 10.048 1.00 42.52 H new ATOM 0 HA ARG A 58 15.978 -9.759 10.449 1.00 52.44 H new ATOM 0 HB2 ARG A 58 15.406 -10.568 7.915 1.00 44.00 H new ATOM 0 HB3 ARG A 58 13.933 -11.079 8.717 1.00 44.00 H new ATOM 0 HG2 ARG A 58 14.915 -8.299 9.267 1.00 32.31 H new ATOM 0 HG3 ARG A 58 14.234 -8.622 7.685 1.00 32.31 H new ATOM 0 HD2 ARG A 58 12.359 -9.837 9.252 1.00 34.15 H new ATOM 0 HD3 ARG A 58 12.907 -8.592 10.356 1.00 34.15 H new ATOM 0 HE ARG A 58 12.324 -7.581 7.668 1.00 33.31 H new ATOM 0 HH11 ARG A 58 11.021 -8.390 10.848 1.00 74.03 H new ATOM 0 HH12 ARG A 58 9.640 -7.299 10.687 1.00 74.03 H new ATOM 0 HH21 ARG A 58 10.548 -6.181 7.469 1.00 25.32 H new ATOM 0 HH22 ARG A 58 9.374 -6.054 8.783 1.00 25.32 H new ATOM 843 N PHE A 59 15.102 -12.393 11.715 1.00 65.40 N ATOM 844 CA PHE A 59 14.322 -13.076 12.740 1.00 11.25 C ATOM 845 C PHE A 59 15.210 -13.503 13.906 1.00 51.05 C ATOM 846 O PHE A 59 16.069 -14.371 13.759 1.00 64.41 O ATOM 847 CB PHE A 59 13.618 -14.298 12.147 1.00 53.43 C ATOM 848 CG PHE A 59 12.123 -14.157 12.085 1.00 25.25 C ATOM 849 CD1 PHE A 59 11.333 -14.548 13.155 1.00 44.14 C ATOM 850 CD2 PHE A 59 11.509 -13.634 10.959 1.00 21.22 C ATOM 851 CE1 PHE A 59 9.958 -14.421 13.100 1.00 3.54 C ATOM 852 CE2 PHE A 59 10.134 -13.504 10.899 1.00 23.04 C ATOM 853 CZ PHE A 59 9.358 -13.897 11.972 1.00 41.20 C ATOM 0 H PHE A 59 16.004 -12.824 11.515 1.00 65.40 H new ATOM 0 HA PHE A 59 13.572 -12.379 13.113 1.00 11.25 H new ATOM 0 HB2 PHE A 59 14.000 -14.475 11.142 1.00 53.43 H new ATOM 0 HB3 PHE A 59 13.868 -15.176 12.743 1.00 53.43 H new ATOM 0 HD1 PHE A 59 11.797 -14.956 14.041 1.00 44.14 H new ATOM 0 HD2 PHE A 59 12.112 -13.324 10.118 1.00 21.22 H new ATOM 0 HE1 PHE A 59 9.353 -14.731 13.939 1.00 3.54 H new ATOM 0 HE2 PHE A 59 9.667 -13.096 10.015 1.00 23.04 H new ATOM 0 HZ PHE A 59 8.284 -13.795 11.929 1.00 41.20 H new ATOM 863 N ALA A 60 14.995 -12.885 15.063 1.00 64.34 N ATOM 864 CA ALA A 60 15.774 -13.202 16.253 1.00 3.43 C ATOM 865 C ALA A 60 17.251 -12.887 16.043 1.00 44.13 C ATOM 866 O ALA A 60 17.725 -11.812 16.407 1.00 2.34 O ATOM 867 CB ALA A 60 15.593 -14.665 16.629 1.00 12.23 C ATOM 0 H ALA A 60 14.288 -12.163 15.201 1.00 64.34 H new ATOM 0 HA ALA A 60 15.410 -12.580 17.071 1.00 3.43 H new ATOM 0 HB1 ALA A 60 16.181 -14.887 17.520 1.00 12.23 H new ATOM 0 HB2 ALA A 60 14.540 -14.861 16.831 1.00 12.23 H new ATOM 0 HB3 ALA A 60 15.928 -15.296 15.806 1.00 12.23 H new ATOM 873 N GLY A 61 17.975 -13.833 15.452 1.00 23.11 N ATOM 874 CA GLY A 61 19.392 -13.637 15.204 1.00 33.22 C ATOM 875 C GLY A 61 20.078 -14.903 14.732 1.00 61.43 C ATOM 876 O GLY A 61 21.279 -15.081 14.939 1.00 34.40 O ATOM 0 H GLY A 61 17.606 -14.731 15.141 1.00 23.11 H new ATOM 0 HA2 GLY A 61 19.522 -12.856 14.455 1.00 33.22 H new ATOM 0 HA3 GLY A 61 19.872 -13.286 16.117 1.00 33.22 H new ATOM 880 N TYR A 62 19.315 -15.786 14.097 1.00 63.05 N ATOM 881 CA TYR A 62 19.856 -17.044 13.597 1.00 24.50 C ATOM 882 C TYR A 62 18.739 -17.967 13.121 1.00 33.53 C ATOM 883 O TYR A 62 18.763 -19.173 13.371 1.00 65.23 O ATOM 884 CB TYR A 62 20.678 -17.738 14.685 1.00 34.41 C ATOM 885 CG TYR A 62 20.062 -17.641 16.063 1.00 44.22 C ATOM 886 CD1 TYR A 62 18.775 -18.103 16.305 1.00 72.12 C ATOM 887 CD2 TYR A 62 20.770 -17.087 17.123 1.00 14.10 C ATOM 888 CE1 TYR A 62 18.209 -18.015 17.562 1.00 73.22 C ATOM 889 CE2 TYR A 62 20.212 -16.996 18.384 1.00 70.22 C ATOM 890 CZ TYR A 62 18.931 -17.461 18.598 1.00 62.20 C ATOM 891 OH TYR A 62 18.371 -17.373 19.852 1.00 64.11 O ATOM 0 H TYR A 62 18.320 -15.654 13.916 1.00 63.05 H new ATOM 0 HA TYR A 62 20.503 -16.820 12.749 1.00 24.50 H new ATOM 0 HB2 TYR A 62 20.798 -18.789 14.423 1.00 34.41 H new ATOM 0 HB3 TYR A 62 21.676 -17.300 14.710 1.00 34.41 H new ATOM 0 HD1 TYR A 62 18.207 -18.539 15.496 1.00 72.12 H new ATOM 0 HD2 TYR A 62 21.773 -16.722 16.958 1.00 14.10 H new ATOM 0 HE1 TYR A 62 17.206 -18.378 17.732 1.00 73.22 H new ATOM 0 HE2 TYR A 62 20.776 -16.563 19.197 1.00 70.22 H new ATOM 0 HH TYR A 62 19.011 -16.959 20.468 1.00 64.11 H new ATOM 901 N THR A 63 17.757 -17.392 12.433 1.00 25.00 N ATOM 902 CA THR A 63 16.630 -18.161 11.922 1.00 53.42 C ATOM 903 C THR A 63 15.871 -17.380 10.854 1.00 23.32 C ATOM 904 O THR A 63 15.390 -16.275 11.103 1.00 3.22 O ATOM 905 CB THR A 63 15.654 -18.545 13.050 1.00 24.43 C ATOM 906 OG1 THR A 63 14.414 -18.994 12.494 1.00 72.33 O ATOM 907 CG2 THR A 63 15.403 -17.364 13.975 1.00 43.32 C ATOM 0 H THR A 63 17.720 -16.396 12.217 1.00 25.00 H new ATOM 0 HA THR A 63 17.041 -19.070 11.482 1.00 53.42 H new ATOM 0 HB THR A 63 16.104 -19.351 13.630 1.00 24.43 H new ATOM 0 HG1 THR A 63 13.800 -19.238 13.218 1.00 72.33 H new ATOM 0 HG21 THR A 63 14.711 -17.660 14.763 1.00 43.32 H new ATOM 0 HG22 THR A 63 16.345 -17.044 14.420 1.00 43.32 H new ATOM 0 HG23 THR A 63 14.973 -16.540 13.405 1.00 43.32 H new ATOM 915 N VAL A 64 15.767 -17.963 9.664 1.00 41.21 N ATOM 916 CA VAL A 64 15.065 -17.322 8.558 1.00 20.42 C ATOM 917 C VAL A 64 14.414 -18.357 7.647 1.00 22.34 C ATOM 918 O VAL A 64 14.798 -19.527 7.644 1.00 64.44 O ATOM 919 CB VAL A 64 16.016 -16.445 7.723 1.00 51.23 C ATOM 920 CG1 VAL A 64 16.934 -17.311 6.874 1.00 43.32 C ATOM 921 CG2 VAL A 64 15.224 -15.481 6.852 1.00 12.24 C ATOM 0 H VAL A 64 16.160 -18.878 9.441 1.00 41.21 H new ATOM 0 HA VAL A 64 14.292 -16.691 8.997 1.00 20.42 H new ATOM 0 HB VAL A 64 16.635 -15.860 8.404 1.00 51.23 H new ATOM 0 HG11 VAL A 64 17.599 -16.674 6.291 1.00 43.32 H new ATOM 0 HG12 VAL A 64 17.527 -17.957 7.522 1.00 43.32 H new ATOM 0 HG13 VAL A 64 16.335 -17.924 6.200 1.00 43.32 H new ATOM 0 HG21 VAL A 64 15.912 -14.869 6.269 1.00 12.24 H new ATOM 0 HG22 VAL A 64 14.579 -16.045 6.178 1.00 12.24 H new ATOM 0 HG23 VAL A 64 14.613 -14.837 7.485 1.00 12.24 H new ATOM 931 N THR A 65 13.426 -17.919 6.874 1.00 15.01 N ATOM 932 CA THR A 65 12.720 -18.807 5.959 1.00 41.13 C ATOM 933 C THR A 65 13.400 -18.844 4.595 1.00 40.51 C ATOM 934 O THR A 65 14.103 -19.799 4.268 1.00 71.02 O ATOM 935 CB THR A 65 11.253 -18.375 5.777 1.00 74.34 C ATOM 936 OG1 THR A 65 11.099 -16.998 6.136 1.00 12.15 O ATOM 937 CG2 THR A 65 10.327 -19.233 6.626 1.00 30.01 C ATOM 0 H THR A 65 13.096 -16.954 6.863 1.00 15.01 H new ATOM 0 HA THR A 65 12.745 -19.803 6.402 1.00 41.13 H new ATOM 0 HB THR A 65 10.986 -18.508 4.729 1.00 74.34 H new ATOM 0 HG1 THR A 65 10.164 -16.731 6.016 1.00 12.15 H new ATOM 0 HG21 THR A 65 9.296 -18.909 6.481 1.00 30.01 H new ATOM 0 HG22 THR A 65 10.425 -20.277 6.329 1.00 30.01 H new ATOM 0 HG23 THR A 65 10.596 -19.128 7.677 1.00 30.01 H new ATOM 945 N GLU A 66 13.186 -17.797 3.804 1.00 44.32 N ATOM 946 CA GLU A 66 13.780 -17.711 2.475 1.00 53.14 C ATOM 947 C GLU A 66 13.878 -16.259 2.015 1.00 3.15 C ATOM 948 O GLU A 66 13.416 -15.346 2.702 1.00 63.15 O ATOM 949 CB GLU A 66 12.956 -18.520 1.471 1.00 53.13 C ATOM 950 CG GLU A 66 11.484 -18.142 1.447 1.00 62.15 C ATOM 951 CD GLU A 66 10.636 -19.147 0.692 1.00 62.42 C ATOM 952 OE1 GLU A 66 11.171 -20.214 0.321 1.00 54.42 O ATOM 953 OE2 GLU A 66 9.439 -18.868 0.472 1.00 21.50 O ATOM 0 H GLU A 66 12.607 -16.998 4.060 1.00 44.32 H new ATOM 0 HA GLU A 66 14.786 -18.126 2.528 1.00 53.14 H new ATOM 0 HB2 GLU A 66 13.375 -18.381 0.474 1.00 53.13 H new ATOM 0 HB3 GLU A 66 13.047 -19.580 1.710 1.00 53.13 H new ATOM 0 HG2 GLU A 66 11.117 -18.059 2.470 1.00 62.15 H new ATOM 0 HG3 GLU A 66 11.372 -17.160 0.987 1.00 62.15 H new ATOM 960 N LEU A 67 14.484 -16.053 0.851 1.00 13.32 N ATOM 961 CA LEU A 67 14.644 -14.712 0.299 1.00 2.02 C ATOM 962 C LEU A 67 13.292 -14.109 -0.069 1.00 23.12 C ATOM 963 O LEU A 67 13.079 -12.905 0.072 1.00 22.45 O ATOM 964 CB LEU A 67 15.550 -14.751 -0.933 1.00 21.42 C ATOM 965 CG LEU A 67 15.172 -15.767 -2.012 1.00 23.15 C ATOM 966 CD1 LEU A 67 14.297 -15.118 -3.072 1.00 74.43 C ATOM 967 CD2 LEU A 67 16.422 -16.366 -2.642 1.00 15.45 C ATOM 0 H LEU A 67 14.873 -16.797 0.271 1.00 13.32 H new ATOM 0 HA LEU A 67 15.105 -14.085 1.062 1.00 2.02 H new ATOM 0 HB2 LEU A 67 15.559 -13.759 -1.384 1.00 21.42 H new ATOM 0 HB3 LEU A 67 16.568 -14.962 -0.604 1.00 21.42 H new ATOM 0 HG LEU A 67 14.604 -16.571 -1.544 1.00 23.15 H new ATOM 0 HD11 LEU A 67 14.038 -15.856 -3.831 1.00 74.43 H new ATOM 0 HD12 LEU A 67 13.386 -14.738 -2.609 1.00 74.43 H new ATOM 0 HD13 LEU A 67 14.839 -14.294 -3.536 1.00 74.43 H new ATOM 0 HD21 LEU A 67 16.134 -17.087 -3.407 1.00 15.45 H new ATOM 0 HD22 LEU A 67 17.017 -15.573 -3.096 1.00 15.45 H new ATOM 0 HD23 LEU A 67 17.011 -16.868 -1.875 1.00 15.45 H new ATOM 979 N ALA A 68 12.381 -14.955 -0.539 1.00 44.13 N ATOM 980 CA ALA A 68 11.049 -14.506 -0.923 1.00 73.43 C ATOM 981 C ALA A 68 10.343 -13.822 0.242 1.00 33.24 C ATOM 982 O ALA A 68 9.657 -12.817 0.061 1.00 11.30 O ATOM 983 CB ALA A 68 10.222 -15.680 -1.428 1.00 41.22 C ATOM 0 H ALA A 68 12.541 -15.955 -0.663 1.00 44.13 H new ATOM 0 HA ALA A 68 11.156 -13.778 -1.727 1.00 73.43 H new ATOM 0 HB1 ALA A 68 9.229 -15.331 -1.711 1.00 41.22 H new ATOM 0 HB2 ALA A 68 10.712 -16.124 -2.295 1.00 41.22 H new ATOM 0 HB3 ALA A 68 10.132 -16.428 -0.640 1.00 41.22 H new ATOM 989 N ALA A 69 10.515 -14.374 1.439 1.00 71.41 N ATOM 990 CA ALA A 69 9.895 -13.816 2.634 1.00 21.22 C ATOM 991 C ALA A 69 10.390 -12.398 2.898 1.00 71.10 C ATOM 992 O ALA A 69 9.613 -11.517 3.268 1.00 70.54 O ATOM 993 CB ALA A 69 10.172 -14.706 3.837 1.00 70.11 C ATOM 0 H ALA A 69 11.079 -15.207 1.606 1.00 71.41 H new ATOM 0 HA ALA A 69 8.819 -13.772 2.468 1.00 21.22 H new ATOM 0 HB1 ALA A 69 9.703 -14.277 4.723 1.00 70.11 H new ATOM 0 HB2 ALA A 69 9.764 -15.700 3.656 1.00 70.11 H new ATOM 0 HB3 ALA A 69 11.248 -14.779 3.996 1.00 70.11 H new ATOM 999 N PHE A 70 11.687 -12.184 2.706 1.00 4.15 N ATOM 1000 CA PHE A 70 12.286 -10.872 2.925 1.00 22.55 C ATOM 1001 C PHE A 70 11.799 -9.871 1.882 1.00 25.20 C ATOM 1002 O PHE A 70 11.464 -8.733 2.208 1.00 75.45 O ATOM 1003 CB PHE A 70 13.812 -10.971 2.881 1.00 65.31 C ATOM 1004 CG PHE A 70 14.505 -9.657 3.103 1.00 21.20 C ATOM 1005 CD1 PHE A 70 14.236 -8.899 4.231 1.00 22.32 C ATOM 1006 CD2 PHE A 70 15.425 -9.180 2.183 1.00 13.41 C ATOM 1007 CE1 PHE A 70 14.872 -7.690 4.439 1.00 40.31 C ATOM 1008 CE2 PHE A 70 16.064 -7.971 2.386 1.00 71.14 C ATOM 1009 CZ PHE A 70 15.786 -7.225 3.514 1.00 3.42 C ATOM 0 H PHE A 70 12.344 -12.902 2.399 1.00 4.15 H new ATOM 0 HA PHE A 70 11.980 -10.520 3.910 1.00 22.55 H new ATOM 0 HB2 PHE A 70 14.144 -11.680 3.639 1.00 65.31 H new ATOM 0 HB3 PHE A 70 14.114 -11.373 1.914 1.00 65.31 H new ATOM 0 HD1 PHE A 70 13.521 -9.257 4.956 1.00 22.32 H new ATOM 0 HD2 PHE A 70 15.645 -9.759 1.298 1.00 13.41 H new ATOM 0 HE1 PHE A 70 14.655 -7.110 5.324 1.00 40.31 H new ATOM 0 HE2 PHE A 70 16.780 -7.610 1.663 1.00 71.14 H new ATOM 0 HZ PHE A 70 16.283 -6.279 3.673 1.00 3.42 H new ATOM 1019 N ASN A 71 11.765 -10.304 0.626 1.00 63.21 N ATOM 1020 CA ASN A 71 11.321 -9.446 -0.467 1.00 21.25 C ATOM 1021 C ASN A 71 9.832 -9.136 -0.344 1.00 4.03 C ATOM 1022 O ASN A 71 9.392 -8.023 -0.633 1.00 42.15 O ATOM 1023 CB ASN A 71 11.605 -10.113 -1.814 1.00 41.31 C ATOM 1024 CG ASN A 71 11.939 -9.106 -2.898 1.00 62.11 C ATOM 1025 OD1 ASN A 71 12.283 -7.959 -2.611 1.00 75.21 O ATOM 1026 ND2 ASN A 71 11.839 -9.532 -4.152 1.00 25.11 N ATOM 0 H ASN A 71 12.039 -11.244 0.340 1.00 63.21 H new ATOM 0 HA ASN A 71 11.875 -8.509 -0.409 1.00 21.25 H new ATOM 0 HB2 ASN A 71 12.434 -10.812 -1.703 1.00 41.31 H new ATOM 0 HB3 ASN A 71 10.736 -10.696 -2.118 1.00 41.31 H new ATOM 0 HD21 ASN A 71 12.051 -8.900 -4.924 1.00 25.11 H new ATOM 0 HD22 ASN A 71 11.550 -10.491 -4.343 1.00 25.11 H new ATOM 1033 N THR A 72 9.060 -10.128 0.089 1.00 63.23 N ATOM 1034 CA THR A 72 7.621 -9.962 0.250 1.00 63.43 C ATOM 1035 C THR A 72 7.304 -8.947 1.341 1.00 34.04 C ATOM 1036 O THR A 72 6.442 -8.085 1.170 1.00 41.45 O ATOM 1037 CB THR A 72 6.937 -11.299 0.593 1.00 53.04 C ATOM 1038 OG1 THR A 72 7.709 -12.009 1.568 1.00 54.32 O ATOM 1039 CG2 THR A 72 6.771 -12.157 -0.653 1.00 13.04 C ATOM 0 H THR A 72 9.408 -11.055 0.334 1.00 63.23 H new ATOM 0 HA THR A 72 7.235 -9.599 -0.703 1.00 63.43 H new ATOM 0 HB THR A 72 5.949 -11.082 1.000 1.00 53.04 H new ATOM 0 HG1 THR A 72 8.374 -12.568 1.115 1.00 54.32 H new ATOM 0 HG21 THR A 72 6.286 -13.096 -0.386 1.00 13.04 H new ATOM 0 HG22 THR A 72 6.158 -11.626 -1.381 1.00 13.04 H new ATOM 0 HG23 THR A 72 7.750 -12.364 -1.085 1.00 13.04 H new ATOM 1047 N VAL A 73 8.005 -9.054 2.465 1.00 22.44 N ATOM 1048 CA VAL A 73 7.799 -8.144 3.585 1.00 11.23 C ATOM 1049 C VAL A 73 8.228 -6.725 3.227 1.00 73.55 C ATOM 1050 O VAL A 73 7.519 -5.760 3.511 1.00 75.20 O ATOM 1051 CB VAL A 73 8.577 -8.603 4.833 1.00 75.31 C ATOM 1052 CG1 VAL A 73 8.434 -7.587 5.956 1.00 73.13 C ATOM 1053 CG2 VAL A 73 8.100 -9.976 5.282 1.00 74.44 C ATOM 0 H VAL A 73 8.721 -9.763 2.624 1.00 22.44 H new ATOM 0 HA VAL A 73 6.732 -8.154 3.807 1.00 11.23 H new ATOM 0 HB VAL A 73 9.633 -8.676 4.574 1.00 75.31 H new ATOM 0 HG11 VAL A 73 8.990 -7.929 6.829 1.00 73.13 H new ATOM 0 HG12 VAL A 73 8.828 -6.625 5.629 1.00 73.13 H new ATOM 0 HG13 VAL A 73 7.381 -7.478 6.216 1.00 73.13 H new ATOM 0 HG21 VAL A 73 8.660 -10.285 6.165 1.00 74.44 H new ATOM 0 HG22 VAL A 73 7.038 -9.931 5.523 1.00 74.44 H new ATOM 0 HG23 VAL A 73 8.260 -10.697 4.480 1.00 74.44 H new ATOM 1063 N VAL A 74 9.394 -6.606 2.599 1.00 35.31 N ATOM 1064 CA VAL A 74 9.917 -5.306 2.199 1.00 1.33 C ATOM 1065 C VAL A 74 9.061 -4.682 1.103 1.00 70.12 C ATOM 1066 O VAL A 74 8.805 -3.478 1.110 1.00 32.52 O ATOM 1067 CB VAL A 74 11.370 -5.415 1.701 1.00 5.30 C ATOM 1068 CG1 VAL A 74 11.889 -4.053 1.263 1.00 33.35 C ATOM 1069 CG2 VAL A 74 12.260 -6.011 2.781 1.00 22.12 C ATOM 0 H VAL A 74 9.994 -7.395 2.357 1.00 35.31 H new ATOM 0 HA VAL A 74 9.890 -4.669 3.083 1.00 1.33 H new ATOM 0 HB VAL A 74 11.390 -6.080 0.837 1.00 5.30 H new ATOM 0 HG11 VAL A 74 12.917 -4.150 0.914 1.00 33.35 H new ATOM 0 HG12 VAL A 74 11.267 -3.669 0.455 1.00 33.35 H new ATOM 0 HG13 VAL A 74 11.856 -3.363 2.106 1.00 33.35 H new ATOM 0 HG21 VAL A 74 13.283 -6.081 2.412 1.00 22.12 H new ATOM 0 HG22 VAL A 74 12.236 -5.374 3.665 1.00 22.12 H new ATOM 0 HG23 VAL A 74 11.900 -7.006 3.041 1.00 22.12 H new ATOM 1079 N ALA A 75 8.621 -5.510 0.161 1.00 54.21 N ATOM 1080 CA ALA A 75 7.791 -5.040 -0.942 1.00 34.24 C ATOM 1081 C ALA A 75 6.382 -4.705 -0.464 1.00 73.41 C ATOM 1082 O ALA A 75 5.789 -3.716 -0.895 1.00 72.20 O ATOM 1083 CB ALA A 75 7.741 -6.085 -2.047 1.00 2.41 C ATOM 0 H ALA A 75 8.825 -6.509 0.139 1.00 54.21 H new ATOM 0 HA ALA A 75 8.238 -4.129 -1.339 1.00 34.24 H new ATOM 0 HB1 ALA A 75 7.118 -5.721 -2.864 1.00 2.41 H new ATOM 0 HB2 ALA A 75 8.749 -6.273 -2.416 1.00 2.41 H new ATOM 0 HB3 ALA A 75 7.320 -7.010 -1.654 1.00 2.41 H new ATOM 1089 N ARG A 76 5.851 -5.536 0.427 1.00 10.04 N ATOM 1090 CA ARG A 76 4.510 -5.328 0.962 1.00 64.54 C ATOM 1091 C ARG A 76 4.447 -4.048 1.789 1.00 40.22 C ATOM 1092 O ARG A 76 3.440 -3.339 1.779 1.00 30.11 O ATOM 1093 CB ARG A 76 4.089 -6.523 1.819 1.00 24.40 C ATOM 1094 CG ARG A 76 3.571 -7.701 1.010 1.00 71.01 C ATOM 1095 CD ARG A 76 2.313 -7.336 0.238 1.00 14.32 C ATOM 1096 NE ARG A 76 1.141 -8.058 0.727 1.00 24.32 N ATOM 1097 CZ ARG A 76 -0.048 -8.014 0.138 1.00 14.23 C ATOM 1098 NH1 ARG A 76 -0.223 -7.286 -0.956 1.00 15.43 N ATOM 1099 NH2 ARG A 76 -1.066 -8.699 0.643 1.00 31.34 N ATOM 0 H ARG A 76 6.328 -6.359 0.794 1.00 10.04 H new ATOM 0 HA ARG A 76 3.822 -5.231 0.122 1.00 64.54 H new ATOM 0 HB2 ARG A 76 4.941 -6.849 2.415 1.00 24.40 H new ATOM 0 HB3 ARG A 76 3.315 -6.204 2.517 1.00 24.40 H new ATOM 0 HG2 ARG A 76 4.342 -8.034 0.315 1.00 71.01 H new ATOM 0 HG3 ARG A 76 3.360 -8.537 1.677 1.00 71.01 H new ATOM 0 HD2 ARG A 76 2.137 -6.263 0.318 1.00 14.32 H new ATOM 0 HD3 ARG A 76 2.460 -7.557 -0.819 1.00 14.32 H new ATOM 0 HE ARG A 76 1.242 -8.627 1.567 1.00 24.32 H new ATOM 0 HH11 ARG A 76 0.557 -6.758 -1.347 1.00 15.43 H new ATOM 0 HH12 ARG A 76 -1.138 -7.254 -1.406 1.00 15.43 H new ATOM 0 HH21 ARG A 76 -0.936 -9.260 1.485 1.00 31.34 H new ATOM 0 HH22 ARG A 76 -1.979 -8.664 0.190 1.00 31.34 H new ATOM 1113 N HIS A 77 5.529 -3.757 2.504 1.00 30.44 N ATOM 1114 CA HIS A 77 5.596 -2.562 3.337 1.00 4.04 C ATOM 1115 C HIS A 77 5.851 -1.321 2.487 1.00 1.02 C ATOM 1116 O HIS A 77 4.937 -0.541 2.220 1.00 1.30 O ATOM 1117 CB HIS A 77 6.697 -2.709 4.389 1.00 52.22 C ATOM 1118 CG HIS A 77 6.443 -3.809 5.372 1.00 33.51 C ATOM 1119 ND1 HIS A 77 5.339 -4.634 5.311 1.00 51.43 N ATOM 1120 CD2 HIS A 77 7.158 -4.221 6.445 1.00 65.13 C ATOM 1121 CE1 HIS A 77 5.386 -5.503 6.304 1.00 73.31 C ATOM 1122 NE2 HIS A 77 6.480 -5.275 7.007 1.00 44.33 N ATOM 0 H HIS A 77 6.371 -4.332 2.523 1.00 30.44 H new ATOM 0 HA HIS A 77 4.636 -2.445 3.840 1.00 4.04 H new ATOM 0 HB2 HIS A 77 7.646 -2.894 3.886 1.00 52.22 H new ATOM 0 HB3 HIS A 77 6.801 -1.768 4.929 1.00 52.22 H new ATOM 0 HD2 HIS A 77 8.089 -3.799 6.794 1.00 65.13 H new ATOM 0 HE1 HIS A 77 4.654 -6.270 6.507 1.00 73.31 H new ATOM 0 HE2 HIS A 77 6.774 -5.797 7.833 1.00 44.33 H new ATOM 1130 N VAL A 78 7.099 -1.144 2.065 1.00 22.34 N ATOM 1131 CA VAL A 78 7.474 0.001 1.245 1.00 1.54 C ATOM 1132 C VAL A 78 6.958 1.302 1.850 1.00 51.31 C ATOM 1133 O VAL A 78 5.920 1.821 1.439 1.00 75.51 O ATOM 1134 CB VAL A 78 6.933 -0.135 -0.190 1.00 42.13 C ATOM 1135 CG1 VAL A 78 7.260 1.108 -1.005 1.00 21.45 C ATOM 1136 CG2 VAL A 78 7.497 -1.382 -0.855 1.00 53.33 C ATOM 0 H VAL A 78 7.868 -1.780 2.278 1.00 22.34 H new ATOM 0 HA VAL A 78 8.563 0.025 1.214 1.00 1.54 H new ATOM 0 HB VAL A 78 5.849 -0.234 -0.143 1.00 42.13 H new ATOM 0 HG11 VAL A 78 6.870 0.993 -2.016 1.00 21.45 H new ATOM 0 HG12 VAL A 78 6.804 1.980 -0.537 1.00 21.45 H new ATOM 0 HG13 VAL A 78 8.341 1.242 -1.046 1.00 21.45 H new ATOM 0 HG21 VAL A 78 7.104 -1.463 -1.869 1.00 53.33 H new ATOM 0 HG22 VAL A 78 8.584 -1.315 -0.891 1.00 53.33 H new ATOM 0 HG23 VAL A 78 7.207 -2.263 -0.282 1.00 53.33 H new ATOM 1146 N ARG A 79 7.690 1.825 2.828 1.00 40.52 N ATOM 1147 CA ARG A 79 7.306 3.066 3.490 1.00 52.20 C ATOM 1148 C ARG A 79 8.367 4.143 3.284 1.00 10.35 C ATOM 1149 O ARG A 79 9.554 3.858 3.128 1.00 63.20 O ATOM 1150 CB ARG A 79 7.091 2.826 4.985 1.00 32.24 C ATOM 1151 CG ARG A 79 5.637 2.928 5.416 1.00 74.53 C ATOM 1152 CD ARG A 79 5.240 1.769 6.318 1.00 42.32 C ATOM 1153 NE ARG A 79 4.301 2.182 7.357 1.00 32.41 N ATOM 1154 CZ ARG A 79 3.023 2.461 7.124 1.00 2.21 C ATOM 1155 NH1 ARG A 79 2.535 2.373 5.894 1.00 25.34 N ATOM 1156 NH2 ARG A 79 2.231 2.830 8.122 1.00 33.34 N ATOM 0 H ARG A 79 8.552 1.409 3.180 1.00 40.52 H new ATOM 0 HA ARG A 79 6.372 3.411 3.046 1.00 52.20 H new ATOM 0 HB2 ARG A 79 7.469 1.837 5.243 1.00 32.24 H new ATOM 0 HB3 ARG A 79 7.680 3.550 5.549 1.00 32.24 H new ATOM 0 HG2 ARG A 79 5.477 3.870 5.941 1.00 74.53 H new ATOM 0 HG3 ARG A 79 4.995 2.941 4.535 1.00 74.53 H new ATOM 0 HD2 ARG A 79 4.791 0.979 5.717 1.00 42.32 H new ATOM 0 HD3 ARG A 79 6.132 1.348 6.782 1.00 42.32 H new ATOM 0 HE ARG A 79 4.645 2.261 8.314 1.00 32.41 H new ATOM 0 HH11 ARG A 79 3.141 2.090 5.124 1.00 25.34 H new ATOM 0 HH12 ARG A 79 1.553 2.588 5.718 1.00 25.34 H new ATOM 0 HH21 ARG A 79 2.603 2.900 9.069 1.00 33.34 H new ATOM 0 HH22 ARG A 79 1.250 3.044 7.942 1.00 33.34 H new ATOM 1170 N PRO A 80 7.931 5.412 3.284 1.00 33.31 N ATOM 1171 CA PRO A 80 8.827 6.557 3.099 1.00 72.11 C ATOM 1172 C PRO A 80 9.749 6.771 4.295 1.00 54.14 C ATOM 1173 O PRO A 80 9.369 7.408 5.277 1.00 35.43 O ATOM 1174 CB PRO A 80 7.866 7.738 2.946 1.00 14.44 C ATOM 1175 CG PRO A 80 6.627 7.314 3.658 1.00 64.45 C ATOM 1176 CD PRO A 80 6.529 5.825 3.465 1.00 1.51 C ATOM 0 HA PRO A 80 9.494 6.420 2.248 1.00 72.11 H new ATOM 0 HB2 PRO A 80 8.282 8.646 3.382 1.00 14.44 H new ATOM 0 HB3 PRO A 80 7.666 7.952 1.896 1.00 14.44 H new ATOM 0 HG2 PRO A 80 6.679 7.568 4.717 1.00 64.45 H new ATOM 0 HG3 PRO A 80 5.751 7.819 3.251 1.00 64.45 H new ATOM 0 HD2 PRO A 80 6.074 5.337 4.327 1.00 1.51 H new ATOM 0 HD3 PRO A 80 5.920 5.571 2.597 1.00 1.51 H new ATOM 1184 N SER A 81 10.962 6.236 4.204 1.00 71.00 N ATOM 1185 CA SER A 81 11.937 6.366 5.280 1.00 1.03 C ATOM 1186 C SER A 81 11.444 5.673 6.547 1.00 71.12 C ATOM 1187 O SER A 81 10.875 6.308 7.434 1.00 4.41 O ATOM 1188 CB SER A 81 12.216 7.842 5.569 1.00 52.41 C ATOM 1189 OG SER A 81 13.479 8.232 5.059 1.00 63.01 O ATOM 0 H SER A 81 11.293 5.708 3.396 1.00 71.00 H new ATOM 0 HA SER A 81 12.861 5.885 4.959 1.00 1.03 H new ATOM 0 HB2 SER A 81 11.435 8.457 5.123 1.00 52.41 H new ATOM 0 HB3 SER A 81 12.185 8.017 6.644 1.00 52.41 H new ATOM 0 HG SER A 81 13.633 9.180 5.255 1.00 63.01 H new ATOM 1195 N ALA A 82 11.666 4.365 6.623 1.00 61.24 N ATOM 1196 CA ALA A 82 11.247 3.585 7.780 1.00 32.52 C ATOM 1197 C ALA A 82 12.384 2.706 8.291 1.00 12.44 C ATOM 1198 O ALA A 82 13.187 2.196 7.510 1.00 54.41 O ATOM 1199 CB ALA A 82 10.035 2.733 7.432 1.00 62.22 C ATOM 0 H ALA A 82 12.134 3.823 5.896 1.00 61.24 H new ATOM 0 HA ALA A 82 10.974 4.279 8.575 1.00 32.52 H new ATOM 0 HB1 ALA A 82 9.733 2.156 8.306 1.00 62.22 H new ATOM 0 HB2 ALA A 82 9.213 3.379 7.122 1.00 62.22 H new ATOM 0 HB3 ALA A 82 10.289 2.054 6.618 1.00 62.22 H new ATOM 1205 N SER A 83 12.447 2.535 9.608 1.00 72.40 N ATOM 1206 CA SER A 83 13.489 1.721 10.224 1.00 52.51 C ATOM 1207 C SER A 83 12.991 0.302 10.477 1.00 22.35 C ATOM 1208 O SER A 83 12.304 0.040 11.466 1.00 44.44 O ATOM 1209 CB SER A 83 13.950 2.355 11.538 1.00 34.10 C ATOM 1210 OG SER A 83 12.932 3.167 12.097 1.00 50.51 O ATOM 0 H SER A 83 11.789 2.949 10.269 1.00 72.40 H new ATOM 0 HA SER A 83 14.333 1.673 9.536 1.00 52.51 H new ATOM 0 HB2 SER A 83 14.226 1.573 12.246 1.00 34.10 H new ATOM 0 HB3 SER A 83 14.843 2.955 11.362 1.00 34.10 H new ATOM 0 HG SER A 83 13.251 3.559 12.937 1.00 50.51 H new ATOM 1216 N ILE A 84 13.343 -0.611 9.578 1.00 32.12 N ATOM 1217 CA ILE A 84 12.933 -2.004 9.704 1.00 24.33 C ATOM 1218 C ILE A 84 13.949 -2.805 10.513 1.00 14.41 C ATOM 1219 O ILE A 84 15.156 -2.740 10.279 1.00 74.00 O ATOM 1220 CB ILE A 84 12.756 -2.666 8.325 1.00 63.11 C ATOM 1221 CG1 ILE A 84 11.787 -1.852 7.465 1.00 22.11 C ATOM 1222 CG2 ILE A 84 12.260 -4.096 8.483 1.00 2.41 C ATOM 1223 CD1 ILE A 84 11.661 -2.364 6.047 1.00 21.13 C ATOM 0 H ILE A 84 13.911 -0.411 8.755 1.00 32.12 H new ATOM 0 HA ILE A 84 11.975 -2.005 10.224 1.00 24.33 H new ATOM 0 HB ILE A 84 13.724 -2.691 7.824 1.00 63.11 H new ATOM 0 HG12 ILE A 84 10.803 -1.860 7.934 1.00 22.11 H new ATOM 0 HG13 ILE A 84 12.120 -0.814 7.440 1.00 22.11 H new ATOM 0 HG21 ILE A 84 12.140 -4.550 7.499 1.00 2.41 H new ATOM 0 HG22 ILE A 84 12.983 -4.670 9.062 1.00 2.41 H new ATOM 0 HG23 ILE A 84 11.301 -4.093 9.001 1.00 2.41 H new ATOM 0 HD11 ILE A 84 10.958 -1.739 5.496 1.00 21.13 H new ATOM 0 HD12 ILE A 84 12.636 -2.330 5.560 1.00 21.13 H new ATOM 0 HD13 ILE A 84 11.298 -3.392 6.062 1.00 21.13 H new ATOM 1235 N PRO A 85 13.450 -3.580 11.488 1.00 40.43 N ATOM 1236 CA PRO A 85 14.296 -4.410 12.350 1.00 43.12 C ATOM 1237 C PRO A 85 14.914 -5.584 11.598 1.00 3.11 C ATOM 1238 O PRO A 85 14.216 -6.518 11.203 1.00 42.43 O ATOM 1239 CB PRO A 85 13.326 -4.913 13.422 1.00 52.55 C ATOM 1240 CG PRO A 85 11.987 -4.874 12.769 1.00 43.24 C ATOM 1241 CD PRO A 85 12.022 -3.705 11.823 1.00 74.43 C ATOM 0 HA PRO A 85 15.142 -3.851 12.750 1.00 43.12 H new ATOM 0 HB2 PRO A 85 13.580 -5.923 13.744 1.00 52.55 H new ATOM 0 HB3 PRO A 85 13.353 -4.280 14.309 1.00 52.55 H new ATOM 0 HG2 PRO A 85 11.786 -5.803 12.235 1.00 43.24 H new ATOM 0 HG3 PRO A 85 11.195 -4.754 13.509 1.00 43.24 H new ATOM 0 HD2 PRO A 85 11.416 -3.888 10.936 1.00 74.43 H new ATOM 0 HD3 PRO A 85 11.638 -2.798 12.290 1.00 74.43 H new ATOM 1249 N VAL A 86 16.228 -5.531 11.404 1.00 3.23 N ATOM 1250 CA VAL A 86 16.941 -6.591 10.701 1.00 12.12 C ATOM 1251 C VAL A 86 18.168 -7.042 11.485 1.00 3.41 C ATOM 1252 O VAL A 86 19.126 -6.286 11.648 1.00 44.12 O ATOM 1253 CB VAL A 86 17.381 -6.136 9.297 1.00 54.10 C ATOM 1254 CG1 VAL A 86 18.203 -7.220 8.618 1.00 63.05 C ATOM 1255 CG2 VAL A 86 16.170 -5.767 8.454 1.00 53.35 C ATOM 0 H VAL A 86 16.821 -4.765 11.724 1.00 3.23 H new ATOM 0 HA VAL A 86 16.249 -7.427 10.603 1.00 12.12 H new ATOM 0 HB VAL A 86 18.007 -5.250 9.400 1.00 54.10 H new ATOM 0 HG11 VAL A 86 18.505 -6.881 7.627 1.00 63.05 H new ATOM 0 HG12 VAL A 86 19.090 -7.432 9.215 1.00 63.05 H new ATOM 0 HG13 VAL A 86 17.604 -8.126 8.524 1.00 63.05 H new ATOM 0 HG21 VAL A 86 16.499 -5.448 7.465 1.00 53.35 H new ATOM 0 HG22 VAL A 86 15.517 -6.634 8.357 1.00 53.35 H new ATOM 0 HG23 VAL A 86 15.626 -4.954 8.935 1.00 53.35 H new ATOM 1265 N VAL A 87 18.133 -8.279 11.969 1.00 21.21 N ATOM 1266 CA VAL A 87 19.244 -8.832 12.735 1.00 35.31 C ATOM 1267 C VAL A 87 20.240 -9.541 11.825 1.00 70.23 C ATOM 1268 O VAL A 87 19.856 -10.329 10.960 1.00 31.12 O ATOM 1269 CB VAL A 87 18.748 -9.823 13.806 1.00 45.22 C ATOM 1270 CG1 VAL A 87 18.171 -11.070 13.154 1.00 43.14 C ATOM 1271 CG2 VAL A 87 19.877 -10.184 14.760 1.00 42.34 C ATOM 0 H VAL A 87 17.347 -8.918 11.844 1.00 21.21 H new ATOM 0 HA VAL A 87 19.738 -7.994 13.226 1.00 35.31 H new ATOM 0 HB VAL A 87 17.956 -9.344 14.381 1.00 45.22 H new ATOM 0 HG11 VAL A 87 17.826 -11.758 13.926 1.00 43.14 H new ATOM 0 HG12 VAL A 87 17.333 -10.792 12.515 1.00 43.14 H new ATOM 0 HG13 VAL A 87 18.940 -11.555 12.553 1.00 43.14 H new ATOM 0 HG21 VAL A 87 19.510 -10.885 15.510 1.00 42.34 H new ATOM 0 HG22 VAL A 87 20.692 -10.645 14.202 1.00 42.34 H new ATOM 0 HG23 VAL A 87 20.239 -9.282 15.253 1.00 42.34 H new ATOM 1281 N PHE A 88 21.522 -9.256 12.025 1.00 64.20 N ATOM 1282 CA PHE A 88 22.576 -9.866 11.222 1.00 74.23 C ATOM 1283 C PHE A 88 23.519 -10.688 12.095 1.00 3.42 C ATOM 1284 O PHE A 88 23.546 -10.532 13.316 1.00 53.10 O ATOM 1285 CB PHE A 88 23.363 -8.789 10.473 1.00 64.33 C ATOM 1286 CG PHE A 88 24.297 -8.008 11.353 1.00 72.32 C ATOM 1287 CD1 PHE A 88 23.823 -6.969 12.138 1.00 64.25 C ATOM 1288 CD2 PHE A 88 25.648 -8.313 11.395 1.00 51.11 C ATOM 1289 CE1 PHE A 88 24.680 -6.249 12.949 1.00 54.41 C ATOM 1290 CE2 PHE A 88 26.509 -7.596 12.205 1.00 73.24 C ATOM 1291 CZ PHE A 88 26.024 -6.562 12.982 1.00 62.15 C ATOM 0 H PHE A 88 21.857 -8.606 12.736 1.00 64.20 H new ATOM 0 HA PHE A 88 22.107 -10.533 10.498 1.00 74.23 H new ATOM 0 HB2 PHE A 88 23.937 -9.259 9.674 1.00 64.33 H new ATOM 0 HB3 PHE A 88 22.662 -8.101 10.000 1.00 64.33 H new ATOM 0 HD1 PHE A 88 22.773 -6.719 12.116 1.00 64.25 H new ATOM 0 HD2 PHE A 88 26.033 -9.120 10.788 1.00 51.11 H new ATOM 0 HE1 PHE A 88 24.298 -5.442 13.557 1.00 54.41 H new ATOM 0 HE2 PHE A 88 27.560 -7.844 12.230 1.00 73.24 H new ATOM 0 HZ PHE A 88 26.695 -6.000 13.614 1.00 62.15 H new ATOM 1301 N SER A 89 24.292 -11.563 11.460 1.00 3.13 N ATOM 1302 CA SER A 89 25.235 -12.413 12.179 1.00 53.41 C ATOM 1303 C SER A 89 26.580 -12.461 11.460 1.00 13.34 C ATOM 1304 O SER A 89 26.644 -12.380 10.234 1.00 73.54 O ATOM 1305 CB SER A 89 24.670 -13.827 12.324 1.00 23.10 C ATOM 1306 OG SER A 89 24.048 -14.001 13.585 1.00 20.02 O ATOM 0 H SER A 89 24.284 -11.702 10.450 1.00 3.13 H new ATOM 0 HA SER A 89 25.388 -11.987 13.171 1.00 53.41 H new ATOM 0 HB2 SER A 89 23.948 -14.017 11.530 1.00 23.10 H new ATOM 0 HB3 SER A 89 25.472 -14.556 12.207 1.00 23.10 H new ATOM 0 HG SER A 89 24.650 -13.689 14.293 1.00 20.02 H new ATOM 1312 N ARG A 90 27.652 -12.592 12.234 1.00 23.11 N ATOM 1313 CA ARG A 90 28.997 -12.650 11.673 1.00 53.30 C ATOM 1314 C ARG A 90 29.715 -13.922 12.112 1.00 21.22 C ATOM 1315 O ARG A 90 30.581 -13.888 12.986 1.00 2.35 O ATOM 1316 CB ARG A 90 29.804 -11.422 12.100 1.00 33.32 C ATOM 1317 CG ARG A 90 30.972 -11.110 11.179 1.00 75.32 C ATOM 1318 CD ARG A 90 31.132 -9.613 10.971 1.00 44.53 C ATOM 1319 NE ARG A 90 31.916 -8.993 12.036 1.00 14.13 N ATOM 1320 CZ ARG A 90 32.504 -7.807 11.922 1.00 73.41 C ATOM 1321 NH1 ARG A 90 32.397 -7.117 10.795 1.00 4.10 N ATOM 1322 NH2 ARG A 90 33.200 -7.310 12.936 1.00 14.13 N ATOM 0 H ARG A 90 27.616 -12.660 13.251 1.00 23.11 H new ATOM 0 HA ARG A 90 28.910 -12.659 10.586 1.00 53.30 H new ATOM 0 HB2 ARG A 90 29.141 -10.557 12.138 1.00 33.32 H new ATOM 0 HB3 ARG A 90 30.181 -11.579 13.111 1.00 33.32 H new ATOM 0 HG2 ARG A 90 31.889 -11.520 11.601 1.00 75.32 H new ATOM 0 HG3 ARG A 90 30.818 -11.598 10.216 1.00 75.32 H new ATOM 0 HD2 ARG A 90 31.616 -9.430 10.011 1.00 44.53 H new ATOM 0 HD3 ARG A 90 30.148 -9.146 10.926 1.00 44.53 H new ATOM 0 HE ARG A 90 32.018 -9.499 12.916 1.00 14.13 H new ATOM 0 HH11 ARG A 90 31.863 -7.496 10.013 1.00 4.10 H new ATOM 0 HH12 ARG A 90 32.849 -6.207 10.709 1.00 4.10 H new ATOM 0 HH21 ARG A 90 33.284 -7.838 13.804 1.00 14.13 H new ATOM 0 HH22 ARG A 90 33.651 -6.399 12.847 1.00 14.13 H new ATOM 1336 N ASP A 91 29.349 -15.043 11.500 1.00 20.15 N ATOM 1337 CA ASP A 91 29.959 -16.327 11.828 1.00 54.23 C ATOM 1338 C ASP A 91 29.628 -16.736 13.260 1.00 62.03 C ATOM 1339 O ASP A 91 30.515 -17.089 14.036 1.00 62.05 O ATOM 1340 CB ASP A 91 31.475 -16.258 11.641 1.00 40.12 C ATOM 1341 CG ASP A 91 31.877 -15.336 10.507 1.00 42.24 C ATOM 1342 OD1 ASP A 91 31.326 -15.486 9.396 1.00 21.24 O ATOM 1343 OD2 ASP A 91 32.744 -14.464 10.729 1.00 71.30 O ATOM 0 H ASP A 91 28.633 -15.089 10.775 1.00 20.15 H new ATOM 0 HA ASP A 91 29.552 -17.078 11.152 1.00 54.23 H new ATOM 0 HB2 ASP A 91 31.937 -15.914 12.566 1.00 40.12 H new ATOM 0 HB3 ASP A 91 31.860 -17.259 11.446 1.00 40.12 H new ATOM 1348 N GLY A 92 28.345 -16.685 13.603 1.00 13.14 N ATOM 1349 CA GLY A 92 27.920 -17.052 14.942 1.00 40.42 C ATOM 1350 C GLY A 92 27.651 -15.843 15.816 1.00 31.02 C ATOM 1351 O GLY A 92 26.935 -15.936 16.814 1.00 63.14 O ATOM 0 H GLY A 92 27.592 -16.396 12.978 1.00 13.14 H new ATOM 0 HA2 GLY A 92 27.017 -17.660 14.880 1.00 40.42 H new ATOM 0 HA3 GLY A 92 28.688 -17.669 15.407 1.00 40.42 H new ATOM 1355 N VAL A 93 28.227 -14.705 15.443 1.00 1.53 N ATOM 1356 CA VAL A 93 28.046 -13.472 16.201 1.00 22.11 C ATOM 1357 C VAL A 93 26.601 -12.993 16.134 1.00 15.11 C ATOM 1358 O VAL A 93 25.959 -13.064 15.086 1.00 63.34 O ATOM 1359 CB VAL A 93 28.971 -12.354 15.683 1.00 34.24 C ATOM 1360 CG1 VAL A 93 28.744 -11.069 16.465 1.00 23.22 C ATOM 1361 CG2 VAL A 93 30.427 -12.787 15.764 1.00 74.52 C ATOM 0 H VAL A 93 28.823 -14.611 14.621 1.00 1.53 H new ATOM 0 HA VAL A 93 28.304 -13.696 17.236 1.00 22.11 H new ATOM 0 HB VAL A 93 28.731 -12.162 14.637 1.00 34.24 H new ATOM 0 HG11 VAL A 93 29.406 -10.290 16.086 1.00 23.22 H new ATOM 0 HG12 VAL A 93 27.707 -10.752 16.351 1.00 23.22 H new ATOM 0 HG13 VAL A 93 28.956 -11.243 17.520 1.00 23.22 H new ATOM 0 HG21 VAL A 93 31.066 -11.985 15.394 1.00 74.52 H new ATOM 0 HG22 VAL A 93 30.684 -13.007 16.800 1.00 74.52 H new ATOM 0 HG23 VAL A 93 30.576 -13.679 15.156 1.00 74.52 H new ATOM 1371 N VAL A 94 26.092 -12.503 17.261 1.00 62.53 N ATOM 1372 CA VAL A 94 24.722 -12.010 17.330 1.00 31.32 C ATOM 1373 C VAL A 94 24.691 -10.508 17.589 1.00 30.22 C ATOM 1374 O VAL A 94 25.235 -10.028 18.583 1.00 20.32 O ATOM 1375 CB VAL A 94 23.923 -12.727 18.435 1.00 72.14 C ATOM 1376 CG1 VAL A 94 24.589 -12.532 19.788 1.00 12.02 C ATOM 1377 CG2 VAL A 94 22.486 -12.228 18.461 1.00 30.23 C ATOM 0 H VAL A 94 26.608 -12.437 18.138 1.00 62.53 H new ATOM 0 HA VAL A 94 24.261 -12.219 16.365 1.00 31.32 H new ATOM 0 HB VAL A 94 23.909 -13.795 18.215 1.00 72.14 H new ATOM 0 HG11 VAL A 94 24.010 -13.046 20.556 1.00 12.02 H new ATOM 0 HG12 VAL A 94 25.598 -12.942 19.759 1.00 12.02 H new ATOM 0 HG13 VAL A 94 24.636 -11.468 20.020 1.00 12.02 H new ATOM 0 HG21 VAL A 94 21.936 -12.745 19.247 1.00 30.23 H new ATOM 0 HG22 VAL A 94 22.477 -11.156 18.656 1.00 30.23 H new ATOM 0 HG23 VAL A 94 22.015 -12.426 17.498 1.00 30.23 H new ATOM 1387 N MET A 95 24.050 -9.771 16.688 1.00 21.00 N ATOM 1388 CA MET A 95 23.947 -8.322 16.820 1.00 34.43 C ATOM 1389 C MET A 95 22.692 -7.801 16.126 1.00 65.34 C ATOM 1390 O MET A 95 22.143 -8.458 15.241 1.00 30.25 O ATOM 1391 CB MET A 95 25.187 -7.645 16.234 1.00 20.41 C ATOM 1392 CG MET A 95 25.407 -6.231 16.746 1.00 32.35 C ATOM 1393 SD MET A 95 25.835 -6.186 18.497 1.00 13.44 S ATOM 1394 CE MET A 95 27.612 -5.979 18.407 1.00 74.35 C ATOM 0 H MET A 95 23.594 -10.153 15.859 1.00 21.00 H new ATOM 0 HA MET A 95 23.880 -8.083 17.881 1.00 34.43 H new ATOM 0 HB2 MET A 95 26.065 -8.248 16.468 1.00 20.41 H new ATOM 0 HB3 MET A 95 25.098 -7.620 15.148 1.00 20.41 H new ATOM 0 HG2 MET A 95 26.203 -5.759 16.169 1.00 32.35 H new ATOM 0 HG3 MET A 95 24.503 -5.644 16.582 1.00 32.35 H new ATOM 0 HE1 MET A 95 28.025 -5.934 19.415 1.00 74.35 H new ATOM 0 HE2 MET A 95 28.050 -6.822 17.873 1.00 74.35 H new ATOM 0 HE3 MET A 95 27.844 -5.055 17.878 1.00 74.35 H new ATOM 1404 N SER A 96 22.245 -6.617 16.532 1.00 71.52 N ATOM 1405 CA SER A 96 21.053 -6.011 15.951 1.00 40.41 C ATOM 1406 C SER A 96 21.399 -4.706 15.240 1.00 63.04 C ATOM 1407 O SER A 96 22.126 -3.869 15.774 1.00 64.22 O ATOM 1408 CB SER A 96 20.007 -5.751 17.036 1.00 13.44 C ATOM 1409 OG SER A 96 20.532 -6.015 18.325 1.00 24.54 O ATOM 0 H SER A 96 22.690 -6.059 17.260 1.00 71.52 H new ATOM 0 HA SER A 96 20.642 -6.706 15.219 1.00 40.41 H new ATOM 0 HB2 SER A 96 19.672 -4.715 16.982 1.00 13.44 H new ATOM 0 HB3 SER A 96 19.133 -6.378 16.861 1.00 13.44 H new ATOM 0 HG SER A 96 19.844 -5.839 19.001 1.00 24.54 H new ATOM 1415 N ALA A 97 20.873 -4.541 14.031 1.00 51.15 N ATOM 1416 CA ALA A 97 21.124 -3.338 13.246 1.00 72.52 C ATOM 1417 C ALA A 97 19.870 -2.901 12.496 1.00 1.42 C ATOM 1418 O ALA A 97 19.125 -3.730 11.972 1.00 3.33 O ATOM 1419 CB ALA A 97 22.269 -3.573 12.272 1.00 74.55 C ATOM 0 H ALA A 97 20.270 -5.225 13.574 1.00 51.15 H new ATOM 0 HA ALA A 97 21.403 -2.538 13.931 1.00 72.52 H new ATOM 0 HB1 ALA A 97 22.446 -2.667 11.693 1.00 74.55 H new ATOM 0 HB2 ALA A 97 23.171 -3.831 12.827 1.00 74.55 H new ATOM 0 HB3 ALA A 97 22.012 -4.390 11.598 1.00 74.55 H new ATOM 1425 N THR A 98 19.641 -1.592 12.449 1.00 42.22 N ATOM 1426 CA THR A 98 18.477 -1.044 11.765 1.00 14.10 C ATOM 1427 C THR A 98 18.841 -0.548 10.370 1.00 33.42 C ATOM 1428 O THR A 98 19.832 0.160 10.192 1.00 22.31 O ATOM 1429 CB THR A 98 17.851 0.116 12.562 1.00 2.15 C ATOM 1430 OG1 THR A 98 17.422 -0.348 13.847 1.00 21.04 O ATOM 1431 CG2 THR A 98 16.670 0.713 11.813 1.00 52.12 C ATOM 0 H THR A 98 20.247 -0.892 12.877 1.00 42.22 H new ATOM 0 HA THR A 98 17.750 -1.852 11.682 1.00 14.10 H new ATOM 0 HB THR A 98 18.608 0.890 12.689 1.00 2.15 H new ATOM 0 HG1 THR A 98 17.027 0.396 14.348 1.00 21.04 H new ATOM 0 HG21 THR A 98 16.245 1.530 12.396 1.00 52.12 H new ATOM 0 HG22 THR A 98 17.005 1.092 10.848 1.00 52.12 H new ATOM 0 HG23 THR A 98 15.912 -0.055 11.658 1.00 52.12 H new ATOM 1439 N ILE A 99 18.033 -0.924 9.384 1.00 31.14 N ATOM 1440 CA ILE A 99 18.270 -0.516 8.005 1.00 10.34 C ATOM 1441 C ILE A 99 17.263 0.541 7.564 1.00 10.02 C ATOM 1442 O ILE A 99 16.054 0.361 7.709 1.00 72.44 O ATOM 1443 CB ILE A 99 18.194 -1.715 7.042 1.00 10.11 C ATOM 1444 CG1 ILE A 99 16.806 -2.357 7.101 1.00 43.14 C ATOM 1445 CG2 ILE A 99 19.270 -2.735 7.381 1.00 63.42 C ATOM 1446 CD1 ILE A 99 16.663 -3.570 6.208 1.00 45.41 C ATOM 0 H ILE A 99 17.209 -1.510 9.515 1.00 31.14 H new ATOM 0 HA ILE A 99 19.275 -0.095 7.969 1.00 10.34 H new ATOM 0 HB ILE A 99 18.366 -1.358 6.026 1.00 10.11 H new ATOM 0 HG12 ILE A 99 16.592 -2.646 8.130 1.00 43.14 H new ATOM 0 HG13 ILE A 99 16.059 -1.616 6.816 1.00 43.14 H new ATOM 0 HG21 ILE A 99 19.204 -3.577 6.692 1.00 63.42 H new ATOM 0 HG22 ILE A 99 20.252 -2.271 7.293 1.00 63.42 H new ATOM 0 HG23 ILE A 99 19.126 -3.090 8.402 1.00 63.42 H new ATOM 0 HD11 ILE A 99 15.655 -3.973 6.301 1.00 45.41 H new ATOM 0 HD12 ILE A 99 16.845 -3.283 5.172 1.00 45.41 H new ATOM 0 HD13 ILE A 99 17.386 -4.329 6.507 1.00 45.41 H new ATOM 1458 N VAL A 100 17.770 1.645 7.024 1.00 70.43 N ATOM 1459 CA VAL A 100 16.915 2.730 6.558 1.00 42.01 C ATOM 1460 C VAL A 100 16.548 2.549 5.089 1.00 3.23 C ATOM 1461 O VAL A 100 17.287 2.968 4.198 1.00 73.24 O ATOM 1462 CB VAL A 100 17.597 4.099 6.741 1.00 52.14 C ATOM 1463 CG1 VAL A 100 17.608 4.498 8.208 1.00 2.53 C ATOM 1464 CG2 VAL A 100 19.009 4.070 6.176 1.00 2.14 C ATOM 0 H VAL A 100 18.769 1.811 6.899 1.00 70.43 H new ATOM 0 HA VAL A 100 16.008 2.700 7.162 1.00 42.01 H new ATOM 0 HB VAL A 100 17.026 4.847 6.191 1.00 52.14 H new ATOM 0 HG11 VAL A 100 18.094 5.468 8.318 1.00 2.53 H new ATOM 0 HG12 VAL A 100 16.584 4.562 8.575 1.00 2.53 H new ATOM 0 HG13 VAL A 100 18.154 3.751 8.784 1.00 2.53 H new ATOM 0 HG21 VAL A 100 19.476 5.045 6.314 1.00 2.14 H new ATOM 0 HG22 VAL A 100 19.593 3.311 6.696 1.00 2.14 H new ATOM 0 HG23 VAL A 100 18.971 3.833 5.113 1.00 2.14 H new ATOM 1474 N VAL A 101 15.402 1.923 4.844 1.00 32.22 N ATOM 1475 CA VAL A 101 14.935 1.687 3.483 1.00 0.41 C ATOM 1476 C VAL A 101 14.013 2.809 3.017 1.00 64.34 C ATOM 1477 O VAL A 101 13.114 3.229 3.742 1.00 14.44 O ATOM 1478 CB VAL A 101 14.190 0.344 3.370 1.00 54.43 C ATOM 1479 CG1 VAL A 101 13.615 0.169 1.972 1.00 33.25 C ATOM 1480 CG2 VAL A 101 15.115 -0.810 3.723 1.00 3.22 C ATOM 0 H VAL A 101 14.779 1.570 5.571 1.00 32.22 H new ATOM 0 HA VAL A 101 15.818 1.658 2.845 1.00 0.41 H new ATOM 0 HB VAL A 101 13.363 0.346 4.080 1.00 54.43 H new ATOM 0 HG11 VAL A 101 13.092 -0.785 1.910 1.00 33.25 H new ATOM 0 HG12 VAL A 101 12.917 0.979 1.762 1.00 33.25 H new ATOM 0 HG13 VAL A 101 14.423 0.187 1.241 1.00 33.25 H new ATOM 0 HG21 VAL A 101 14.572 -1.751 3.638 1.00 3.22 H new ATOM 0 HG22 VAL A 101 15.964 -0.818 3.039 1.00 3.22 H new ATOM 0 HG23 VAL A 101 15.473 -0.689 4.745 1.00 3.22 H new ATOM 1490 N GLY A 102 14.244 3.289 1.798 1.00 21.13 N ATOM 1491 CA GLY A 102 13.426 4.357 1.255 1.00 40.31 C ATOM 1492 C GLY A 102 12.730 3.958 -0.031 1.00 31.30 C ATOM 1493 O GLY A 102 13.058 4.462 -1.104 1.00 42.41 O ATOM 0 H GLY A 102 14.983 2.957 1.178 1.00 21.13 H new ATOM 0 HA2 GLY A 102 12.679 4.649 1.993 1.00 40.31 H new ATOM 0 HA3 GLY A 102 14.051 5.231 1.070 1.00 40.31 H new ATOM 1497 N GLU A 103 11.767 3.048 0.077 1.00 20.52 N ATOM 1498 CA GLU A 103 11.025 2.579 -1.087 1.00 41.25 C ATOM 1499 C GLU A 103 9.899 3.547 -1.440 1.00 71.43 C ATOM 1500 O GLU A 103 9.145 3.321 -2.388 1.00 64.02 O ATOM 1501 CB GLU A 103 10.452 1.185 -0.828 1.00 34.44 C ATOM 1502 CG GLU A 103 11.509 0.095 -0.757 1.00 14.33 C ATOM 1503 CD GLU A 103 11.050 -1.112 0.038 1.00 11.23 C ATOM 1504 OE1 GLU A 103 11.001 -1.020 1.283 1.00 44.14 O ATOM 1505 OE2 GLU A 103 10.739 -2.149 -0.585 1.00 1.50 O ATOM 0 H GLU A 103 11.483 2.621 0.959 1.00 20.52 H new ATOM 0 HA GLU A 103 11.715 2.528 -1.929 1.00 41.25 H new ATOM 0 HB2 GLU A 103 9.894 1.199 0.108 1.00 34.44 H new ATOM 0 HB3 GLU A 103 9.743 0.940 -1.619 1.00 34.44 H new ATOM 0 HG2 GLU A 103 11.771 -0.218 -1.768 1.00 14.33 H new ATOM 0 HG3 GLU A 103 12.414 0.501 -0.305 1.00 14.33 H new ATOM 1512 N LEU A 104 9.790 4.624 -0.671 1.00 41.10 N ATOM 1513 CA LEU A 104 8.756 5.627 -0.901 1.00 32.12 C ATOM 1514 C LEU A 104 9.261 7.022 -0.547 1.00 25.34 C ATOM 1515 O LEU A 104 8.475 7.921 -0.255 1.00 15.52 O ATOM 1516 CB LEU A 104 7.509 5.300 -0.078 1.00 33.24 C ATOM 1517 CG LEU A 104 6.167 5.502 -0.783 1.00 20.43 C ATOM 1518 CD1 LEU A 104 6.054 4.582 -1.989 1.00 22.13 C ATOM 1519 CD2 LEU A 104 5.016 5.262 0.183 1.00 74.51 C ATOM 0 H LEU A 104 10.405 4.826 0.117 1.00 41.10 H new ATOM 0 HA LEU A 104 8.500 5.612 -1.960 1.00 32.12 H new ATOM 0 HB2 LEU A 104 7.574 4.261 0.246 1.00 33.24 H new ATOM 0 HB3 LEU A 104 7.520 5.915 0.822 1.00 33.24 H new ATOM 0 HG LEU A 104 6.113 6.533 -1.132 1.00 20.43 H new ATOM 0 HD11 LEU A 104 5.093 4.740 -2.478 1.00 22.13 H new ATOM 0 HD12 LEU A 104 6.859 4.802 -2.691 1.00 22.13 H new ATOM 0 HD13 LEU A 104 6.130 3.544 -1.664 1.00 22.13 H new ATOM 0 HD21 LEU A 104 4.069 5.410 -0.336 1.00 74.51 H new ATOM 0 HD22 LEU A 104 5.066 4.241 0.562 1.00 74.51 H new ATOM 0 HD23 LEU A 104 5.087 5.962 1.015 1.00 74.51 H new ATOM 1531 N GLU A 105 10.579 7.193 -0.577 1.00 4.23 N ATOM 1532 CA GLU A 105 11.189 8.479 -0.260 1.00 1.41 C ATOM 1533 C GLU A 105 10.724 8.981 1.104 1.00 23.44 C ATOM 1534 O GLU A 105 11.177 10.020 1.582 1.00 44.23 O ATOM 1535 CB GLU A 105 10.847 9.510 -1.338 1.00 2.22 C ATOM 1536 CG GLU A 105 12.033 10.356 -1.769 1.00 44.12 C ATOM 1537 CD GLU A 105 11.618 11.595 -2.538 1.00 74.25 C ATOM 1538 OE1 GLU A 105 10.507 12.106 -2.283 1.00 2.22 O ATOM 1539 OE2 GLU A 105 12.402 12.053 -3.396 1.00 35.43 O ATOM 0 H GLU A 105 11.244 6.458 -0.817 1.00 4.23 H new ATOM 0 HA GLU A 105 12.270 8.341 -0.228 1.00 1.41 H new ATOM 0 HB2 GLU A 105 10.445 8.993 -2.209 1.00 2.22 H new ATOM 0 HB3 GLU A 105 10.060 10.166 -0.965 1.00 2.22 H new ATOM 0 HG2 GLU A 105 12.601 10.653 -0.888 1.00 44.12 H new ATOM 0 HG3 GLU A 105 12.698 9.754 -2.389 1.00 44.12 H new TER 1546 GLU A 105