USER MOD reduce.3.24.130724 H: found=0, std=0, add=939, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 931 hydrogens (64 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 108 HIS : no HE2:sc= 0.035 K(o=0.45,f=-0.77) USER MOD Set 1.2: A 202 PLM O1 : rot 76:sc= 0.412 USER MOD Set 2.1: A 62 THR OG1 : rot -170:sc= -0.99 USER MOD Set 2.2: A 92 SER OG : rot 180:sc= -0.985 USER MOD Set 3.1: A 30 GLN : amide:sc= -5.14 K(o=-9.4,f=-13!) USER MOD Set 3.2: A 32 ASN : amide:sc= -1.56 K(o=-9.4,f=-14!) USER MOD Set 3.3: A 41 GLN : amide:sc= -2.68 K(o=-9.4,f=-16!) USER MOD Single : A 1 MET CE :methyl 152:sc= -0.107 (180deg=-0.699) USER MOD Single : A 1 MET N :NH3+ -106:sc= 0.114 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.335 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 146:sc= -0.164 (180deg=-0.864) USER MOD Single : A 53 GLN : amide:sc= -2.61 X(o=-2.6,f=-3) USER MOD Single : A 58 SER OG : rot 57:sc= 0.608 USER MOD Single : A 64 THR OG1 : rot -169:sc= -1.05 USER MOD Single : A 70 MET CE :methyl 172:sc= -4.82 (180deg=-4.93!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot -52:sc= 1.18 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 HIS : no HD1:sc=-0.00564 X(o=-0.0056,f=0) USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 HIS : no HD1:sc=-0.00689 X(o=-0.0069,f=-0.046) USER MOD Single : A 110 HIS : no HD1:sc= -0.0271 X(o=-0.027,f=0) USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 201 PLM O1 : rot 140:sc= -1.31 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.169 2.090 -0.716 1.00 30.34 N ATOM 2 CA MET A 1 3.807 0.935 -1.531 1.00 43.23 C ATOM 3 C MET A 1 4.541 -0.315 -1.058 1.00 31.55 C ATOM 4 O MET A 1 5.428 -0.241 -0.207 1.00 14.10 O ATOM 5 CB MET A 1 4.127 1.203 -3.003 1.00 53.32 C ATOM 6 CG MET A 1 2.955 1.771 -3.785 1.00 61.53 C ATOM 7 SD MET A 1 3.297 3.410 -4.456 1.00 43.22 S ATOM 8 CE MET A 1 4.726 3.065 -5.479 1.00 4.20 C ATOM 0 H1 MET A 1 3.381 2.327 -0.080 1.00 30.34 H new ATOM 0 H2 MET A 1 5.014 1.866 -0.152 1.00 30.34 H new ATOM 0 H3 MET A 1 4.371 2.902 -1.334 1.00 30.34 H new ATOM 0 HA MET A 1 2.735 0.767 -1.424 1.00 43.23 H new ATOM 0 HB2 MET A 1 4.965 1.898 -3.064 1.00 53.32 H new ATOM 0 HB3 MET A 1 4.449 0.273 -3.471 1.00 53.32 H new ATOM 0 HG2 MET A 1 2.705 1.093 -4.601 1.00 61.53 H new ATOM 0 HG3 MET A 1 2.081 1.824 -3.136 1.00 61.53 H new ATOM 0 HE1 MET A 1 4.762 3.775 -6.305 1.00 4.20 H new ATOM 0 HE2 MET A 1 5.633 3.157 -4.881 1.00 4.20 H new ATOM 0 HE3 MET A 1 4.654 2.052 -5.875 1.00 4.20 H new ATOM 18 N SER A 2 4.164 -1.463 -1.612 1.00 23.13 N ATOM 19 CA SER A 2 4.783 -2.730 -1.243 1.00 70.22 C ATOM 20 C SER A 2 4.225 -3.873 -2.086 1.00 60.42 C ATOM 21 O SER A 2 3.283 -3.689 -2.857 1.00 33.03 O ATOM 22 CB SER A 2 4.557 -3.019 0.242 1.00 14.01 C ATOM 23 OG SER A 2 5.657 -3.718 0.798 1.00 44.23 O ATOM 0 H SER A 2 3.432 -1.541 -2.318 1.00 23.13 H new ATOM 0 HA SER A 2 5.854 -2.652 -1.432 1.00 70.22 H new ATOM 0 HB2 SER A 2 4.408 -2.083 0.779 1.00 14.01 H new ATOM 0 HB3 SER A 2 3.648 -3.607 0.367 1.00 14.01 H new ATOM 0 HG SER A 2 5.489 -3.889 1.748 1.00 44.23 H new ATOM 29 N VAL A 3 4.814 -5.055 -1.932 1.00 5.10 N ATOM 30 CA VAL A 3 4.376 -6.229 -2.677 1.00 74.43 C ATOM 31 C VAL A 3 2.877 -6.453 -2.519 1.00 53.33 C ATOM 32 O VAL A 3 2.225 -7.004 -3.404 1.00 14.34 O ATOM 33 CB VAL A 3 5.125 -7.495 -2.221 1.00 11.31 C ATOM 34 CG1 VAL A 3 4.556 -8.729 -2.904 1.00 62.02 C ATOM 35 CG2 VAL A 3 6.615 -7.362 -2.498 1.00 71.40 C ATOM 0 H VAL A 3 5.595 -5.224 -1.298 1.00 5.10 H new ATOM 0 HA VAL A 3 4.603 -6.040 -3.726 1.00 74.43 H new ATOM 0 HB VAL A 3 4.987 -7.609 -1.146 1.00 11.31 H new ATOM 0 HG11 VAL A 3 5.098 -9.613 -2.569 1.00 62.02 H new ATOM 0 HG12 VAL A 3 3.501 -8.832 -2.649 1.00 62.02 H new ATOM 0 HG13 VAL A 3 4.660 -8.627 -3.984 1.00 62.02 H new ATOM 0 HG21 VAL A 3 7.128 -8.266 -2.169 1.00 71.40 H new ATOM 0 HG22 VAL A 3 6.775 -7.222 -3.567 1.00 71.40 H new ATOM 0 HG23 VAL A 3 7.011 -6.503 -1.956 1.00 71.40 H new ATOM 45 N GLU A 4 2.336 -6.022 -1.383 1.00 43.03 N ATOM 46 CA GLU A 4 0.913 -6.176 -1.108 1.00 11.43 C ATOM 47 C GLU A 4 0.073 -5.587 -2.238 1.00 22.33 C ATOM 48 O GLU A 4 -0.987 -6.114 -2.578 1.00 35.51 O ATOM 49 CB GLU A 4 0.551 -5.502 0.217 1.00 73.40 C ATOM 50 CG GLU A 4 0.718 -3.991 0.196 1.00 34.13 C ATOM 51 CD GLU A 4 0.929 -3.409 1.580 1.00 73.21 C ATOM 52 OE1 GLU A 4 0.509 -2.256 1.808 1.00 60.22 O ATOM 53 OE2 GLU A 4 1.516 -4.106 2.435 1.00 42.52 O1- ATOM 0 H GLU A 4 2.862 -5.564 -0.639 1.00 43.03 H new ATOM 0 HA GLU A 4 0.696 -7.242 -1.036 1.00 11.43 H new ATOM 0 HB2 GLU A 4 -0.483 -5.742 0.467 1.00 73.40 H new ATOM 0 HB3 GLU A 4 1.175 -5.917 1.009 1.00 73.40 H new ATOM 0 HG2 GLU A 4 1.567 -3.732 -0.437 1.00 34.13 H new ATOM 0 HG3 GLU A 4 -0.165 -3.538 -0.254 1.00 34.13 H new ATOM 60 N THR A 5 0.556 -4.492 -2.816 1.00 74.04 N ATOM 61 CA THR A 5 -0.150 -3.830 -3.907 1.00 61.14 C ATOM 62 C THR A 5 0.118 -4.524 -5.236 1.00 11.11 C ATOM 63 O THR A 5 -0.812 -4.899 -5.950 1.00 53.10 O ATOM 64 CB THR A 5 0.257 -2.349 -4.021 1.00 23.45 C ATOM 65 OG1 THR A 5 -0.021 -1.668 -2.793 1.00 72.15 O ATOM 66 CG2 THR A 5 -0.485 -1.670 -5.163 1.00 71.31 C ATOM 0 H THR A 5 1.432 -4.045 -2.547 1.00 74.04 H new ATOM 0 HA THR A 5 -1.214 -3.890 -3.678 1.00 61.14 H new ATOM 0 HB THR A 5 1.327 -2.304 -4.226 1.00 23.45 H new ATOM 0 HG1 THR A 5 0.242 -0.728 -2.874 1.00 72.15 H new ATOM 0 HG21 THR A 5 -0.181 -0.625 -5.224 1.00 71.31 H new ATOM 0 HG22 THR A 5 -0.247 -2.172 -6.101 1.00 71.31 H new ATOM 0 HG23 THR A 5 -1.559 -1.726 -4.983 1.00 71.31 H new ATOM 74 N ILE A 6 1.395 -4.690 -5.564 1.00 14.44 N ATOM 75 CA ILE A 6 1.784 -5.342 -6.809 1.00 13.03 C ATOM 76 C ILE A 6 1.045 -6.663 -6.994 1.00 73.35 C ATOM 77 O ILE A 6 0.405 -6.889 -8.020 1.00 33.51 O ATOM 78 CB ILE A 6 3.302 -5.604 -6.856 1.00 41.41 C ATOM 79 CG1 ILE A 6 4.050 -4.329 -7.249 1.00 24.24 C ATOM 80 CG2 ILE A 6 3.614 -6.729 -7.831 1.00 42.51 C ATOM 81 CD1 ILE A 6 4.068 -3.279 -6.160 1.00 64.21 C ATOM 0 H ILE A 6 2.177 -4.383 -4.986 1.00 14.44 H new ATOM 0 HA ILE A 6 1.515 -4.663 -7.618 1.00 13.03 H new ATOM 0 HB ILE A 6 3.635 -5.906 -5.863 1.00 41.41 H new ATOM 0 HG12 ILE A 6 5.076 -4.586 -7.512 1.00 24.24 H new ATOM 0 HG13 ILE A 6 3.588 -3.907 -8.142 1.00 24.24 H new ATOM 0 HG21 ILE A 6 4.690 -6.903 -7.854 1.00 42.51 H new ATOM 0 HG22 ILE A 6 3.106 -7.639 -7.511 1.00 42.51 H new ATOM 0 HG23 ILE A 6 3.270 -6.453 -8.828 1.00 42.51 H new ATOM 0 HD11 ILE A 6 4.615 -2.403 -6.508 1.00 64.21 H new ATOM 0 HD12 ILE A 6 3.045 -2.994 -5.913 1.00 64.21 H new ATOM 0 HD13 ILE A 6 4.556 -3.683 -5.273 1.00 64.21 H new ATOM 93 N ILE A 7 1.138 -7.531 -5.991 1.00 51.41 N ATOM 94 CA ILE A 7 0.475 -8.828 -6.043 1.00 0.02 C ATOM 95 C ILE A 7 -1.038 -8.669 -6.149 1.00 53.31 C ATOM 96 O ILE A 7 -1.674 -9.262 -7.019 1.00 54.10 O ATOM 97 CB ILE A 7 0.805 -9.677 -4.800 1.00 13.24 C ATOM 98 CG1 ILE A 7 2.294 -10.030 -4.777 1.00 70.25 C ATOM 99 CG2 ILE A 7 -0.044 -10.940 -4.782 1.00 54.25 C ATOM 100 CD1 ILE A 7 2.726 -10.906 -5.932 1.00 52.51 C ATOM 0 H ILE A 7 1.665 -7.360 -5.135 1.00 51.41 H new ATOM 0 HA ILE A 7 0.847 -9.338 -6.932 1.00 0.02 H new ATOM 0 HB ILE A 7 0.575 -9.094 -3.908 1.00 13.24 H new ATOM 0 HG12 ILE A 7 2.877 -9.109 -4.792 1.00 70.25 H new ATOM 0 HG13 ILE A 7 2.524 -10.538 -3.841 1.00 70.25 H new ATOM 0 HG21 ILE A 7 0.200 -11.530 -3.898 1.00 54.25 H new ATOM 0 HG22 ILE A 7 -1.099 -10.669 -4.757 1.00 54.25 H new ATOM 0 HG23 ILE A 7 0.159 -11.527 -5.678 1.00 54.25 H new ATOM 0 HD11 ILE A 7 3.793 -11.116 -5.851 1.00 52.51 H new ATOM 0 HD12 ILE A 7 2.169 -11.843 -5.906 1.00 52.51 H new ATOM 0 HD13 ILE A 7 2.528 -10.392 -6.873 1.00 52.51 H new ATOM 112 N GLU A 8 -1.606 -7.863 -5.259 1.00 35.43 N ATOM 113 CA GLU A 8 -3.045 -7.625 -5.254 1.00 71.25 C ATOM 114 C GLU A 8 -3.533 -7.209 -6.638 1.00 71.52 C ATOM 115 O GLU A 8 -4.624 -7.587 -7.064 1.00 32.54 O ATOM 116 CB GLU A 8 -3.403 -6.546 -4.229 1.00 71.25 C ATOM 117 CG GLU A 8 -3.701 -7.095 -2.845 1.00 15.12 C ATOM 118 CD GLU A 8 -4.915 -8.003 -2.826 1.00 1.01 C ATOM 119 OE1 GLU A 8 -4.817 -9.112 -2.261 1.00 75.25 O ATOM 120 OE2 GLU A 8 -5.963 -7.603 -3.375 1.00 14.41 O1- ATOM 0 H GLU A 8 -1.093 -7.364 -4.532 1.00 35.43 H new ATOM 0 HA GLU A 8 -3.540 -8.556 -4.978 1.00 71.25 H new ATOM 0 HB2 GLU A 8 -2.579 -5.836 -4.159 1.00 71.25 H new ATOM 0 HB3 GLU A 8 -4.272 -5.992 -4.586 1.00 71.25 H new ATOM 0 HG2 GLU A 8 -2.834 -7.647 -2.483 1.00 15.12 H new ATOM 0 HG3 GLU A 8 -3.862 -6.266 -2.156 1.00 15.12 H new ATOM 127 N ARG A 9 -2.715 -6.428 -7.337 1.00 14.15 N ATOM 128 CA ARG A 9 -3.063 -5.959 -8.673 1.00 33.34 C ATOM 129 C ARG A 9 -2.874 -7.067 -9.704 1.00 22.34 C ATOM 130 O ARG A 9 -3.597 -7.133 -10.698 1.00 52.23 O ATOM 131 CB ARG A 9 -2.210 -4.746 -9.048 1.00 41.22 C ATOM 132 CG ARG A 9 -3.026 -3.515 -9.409 1.00 63.41 C ATOM 133 CD ARG A 9 -2.807 -2.389 -8.410 1.00 44.44 C ATOM 134 NE ARG A 9 -3.128 -1.083 -8.980 1.00 1.20 N ATOM 135 CZ ARG A 9 -2.358 -0.457 -9.863 1.00 43.43 C ATOM 136 NH1 ARG A 9 -1.229 -1.014 -10.276 1.00 23.04 N1+ ATOM 137 NH2 ARG A 9 -2.719 0.731 -10.334 1.00 51.24 N ATOM 0 H ARG A 9 -1.807 -6.107 -7.000 1.00 14.15 H new ATOM 0 HA ARG A 9 -4.113 -5.668 -8.667 1.00 33.34 H new ATOM 0 HB2 ARG A 9 -1.552 -4.503 -8.214 1.00 41.22 H new ATOM 0 HB3 ARG A 9 -1.572 -5.008 -9.892 1.00 41.22 H new ATOM 0 HG2 ARG A 9 -2.752 -3.175 -10.408 1.00 63.41 H new ATOM 0 HG3 ARG A 9 -4.084 -3.775 -9.440 1.00 63.41 H new ATOM 0 HD2 ARG A 9 -3.424 -2.561 -7.528 1.00 44.44 H new ATOM 0 HD3 ARG A 9 -1.769 -2.395 -8.079 1.00 44.44 H new ATOM 0 HE ARG A 9 -3.991 -0.627 -8.684 1.00 1.20 H new ATOM 0 HH11 ARG A 9 -0.949 -1.926 -9.916 1.00 23.04 H new ATOM 0 HH12 ARG A 9 -0.640 -0.531 -10.954 1.00 23.04 H new ATOM 0 HH21 ARG A 9 -3.587 1.163 -10.018 1.00 51.24 H new ATOM 0 HH22 ARG A 9 -2.128 1.212 -11.012 1.00 51.24 H new ATOM 151 N ILE A 10 -1.895 -7.933 -9.462 1.00 40.41 N ATOM 152 CA ILE A 10 -1.611 -9.037 -10.370 1.00 14.34 C ATOM 153 C ILE A 10 -2.682 -10.118 -10.272 1.00 62.03 C ATOM 154 O ILE A 10 -3.316 -10.473 -11.267 1.00 74.00 O ATOM 155 CB ILE A 10 -0.236 -9.666 -10.078 1.00 5.51 C ATOM 156 CG1 ILE A 10 0.883 -8.681 -10.426 1.00 24.51 C ATOM 157 CG2 ILE A 10 -0.070 -10.961 -10.859 1.00 55.12 C ATOM 158 CD1 ILE A 10 2.183 -8.964 -9.704 1.00 13.02 C ATOM 0 H ILE A 10 -1.286 -7.891 -8.645 1.00 40.41 H new ATOM 0 HA ILE A 10 -1.606 -8.623 -11.378 1.00 14.34 H new ATOM 0 HB ILE A 10 -0.176 -9.895 -9.014 1.00 5.51 H new ATOM 0 HG12 ILE A 10 1.060 -8.710 -11.501 1.00 24.51 H new ATOM 0 HG13 ILE A 10 0.555 -7.670 -10.184 1.00 24.51 H new ATOM 0 HG21 ILE A 10 0.907 -11.394 -10.642 1.00 55.12 H new ATOM 0 HG22 ILE A 10 -0.851 -11.664 -10.569 1.00 55.12 H new ATOM 0 HG23 ILE A 10 -0.147 -10.754 -11.927 1.00 55.12 H new ATOM 0 HD11 ILE A 10 2.931 -8.227 -9.998 1.00 13.02 H new ATOM 0 HD12 ILE A 10 2.021 -8.907 -8.628 1.00 13.02 H new ATOM 0 HD13 ILE A 10 2.535 -9.962 -9.965 1.00 13.02 H new ATOM 170 N LYS A 11 -2.882 -10.638 -9.066 1.00 61.13 N ATOM 171 CA LYS A 11 -3.880 -11.676 -8.836 1.00 50.23 C ATOM 172 C LYS A 11 -5.216 -11.297 -9.466 1.00 62.52 C ATOM 173 O LYS A 11 -5.928 -12.150 -9.994 1.00 43.22 O ATOM 174 CB LYS A 11 -4.061 -11.915 -7.335 1.00 4.34 C ATOM 175 CG LYS A 11 -4.178 -10.635 -6.525 1.00 75.22 C ATOM 176 CD LYS A 11 -5.327 -10.707 -5.532 1.00 21.30 C ATOM 177 CE LYS A 11 -6.484 -9.815 -5.953 1.00 45.52 C ATOM 178 NZ LYS A 11 -7.803 -10.433 -5.642 1.00 13.21 N1+ ATOM 0 H LYS A 11 -2.366 -10.357 -8.232 1.00 61.13 H new ATOM 0 HA LYS A 11 -3.526 -12.595 -9.304 1.00 50.23 H new ATOM 0 HB2 LYS A 11 -4.955 -12.518 -7.177 1.00 4.34 H new ATOM 0 HB3 LYS A 11 -3.216 -12.494 -6.963 1.00 4.34 H new ATOM 0 HG2 LYS A 11 -3.245 -10.455 -5.991 1.00 75.22 H new ATOM 0 HG3 LYS A 11 -4.329 -9.790 -7.197 1.00 75.22 H new ATOM 0 HD2 LYS A 11 -5.673 -11.737 -5.448 1.00 21.30 H new ATOM 0 HD3 LYS A 11 -4.975 -10.407 -4.545 1.00 21.30 H new ATOM 0 HE2 LYS A 11 -6.405 -8.854 -5.445 1.00 45.52 H new ATOM 0 HE3 LYS A 11 -6.419 -9.617 -7.023 1.00 45.52 H new ATOM 0 HZ1 LYS A 11 -8.566 -9.794 -5.944 1.00 13.21 H new ATOM 0 HZ2 LYS A 11 -7.890 -11.338 -6.146 1.00 13.21 H new ATOM 0 HZ3 LYS A 11 -7.876 -10.599 -4.618 1.00 13.21 H new ATOM 192 N ALA A 12 -5.550 -10.011 -9.406 1.00 55.14 N ATOM 193 CA ALA A 12 -6.799 -9.519 -9.974 1.00 34.34 C ATOM 194 C ALA A 12 -6.807 -9.664 -11.491 1.00 55.24 C ATOM 195 O ALA A 12 -7.819 -10.039 -12.083 1.00 10.40 O ATOM 196 CB ALA A 12 -7.021 -8.067 -9.578 1.00 45.33 C ATOM 0 H ALA A 12 -4.973 -9.292 -8.970 1.00 55.14 H new ATOM 0 HA ALA A 12 -7.615 -10.122 -9.575 1.00 34.34 H new ATOM 0 HB1 ALA A 12 -7.957 -7.711 -10.009 1.00 45.33 H new ATOM 0 HB2 ALA A 12 -7.069 -7.989 -8.492 1.00 45.33 H new ATOM 0 HB3 ALA A 12 -6.197 -7.458 -9.950 1.00 45.33 H new ATOM 202 N ARG A 13 -5.672 -9.363 -12.115 1.00 1.42 N ATOM 203 CA ARG A 13 -5.550 -9.458 -13.565 1.00 42.34 C ATOM 204 C ARG A 13 -5.442 -10.914 -14.008 1.00 75.41 C ATOM 205 O ARG A 13 -6.019 -11.311 -15.021 1.00 71.34 O ATOM 206 CB ARG A 13 -4.328 -8.675 -14.047 1.00 55.21 C ATOM 207 CG ARG A 13 -4.193 -8.627 -15.560 1.00 12.20 C ATOM 208 CD ARG A 13 -5.178 -7.647 -16.177 1.00 25.52 C ATOM 209 NE ARG A 13 -5.638 -8.087 -17.492 1.00 14.11 N ATOM 210 CZ ARG A 13 -6.722 -7.605 -18.090 1.00 35.11 C ATOM 211 NH1 ARG A 13 -7.454 -6.673 -17.494 1.00 42.00 N1+ ATOM 212 NH2 ARG A 13 -7.077 -8.055 -19.287 1.00 54.31 N ATOM 0 H ARG A 13 -4.825 -9.052 -11.640 1.00 1.42 H new ATOM 0 HA ARG A 13 -6.448 -9.027 -14.009 1.00 42.34 H new ATOM 0 HB2 ARG A 13 -4.385 -7.656 -13.663 1.00 55.21 H new ATOM 0 HB3 ARG A 13 -3.429 -9.125 -13.625 1.00 55.21 H new ATOM 0 HG2 ARG A 13 -3.176 -8.339 -15.827 1.00 12.20 H new ATOM 0 HG3 ARG A 13 -4.361 -9.622 -15.973 1.00 12.20 H new ATOM 0 HD2 ARG A 13 -6.035 -7.529 -15.514 1.00 25.52 H new ATOM 0 HD3 ARG A 13 -4.707 -6.668 -16.267 1.00 25.52 H new ATOM 0 HE ARG A 13 -5.098 -8.803 -17.977 1.00 14.11 H new ATOM 0 HH11 ARG A 13 -7.185 -6.324 -16.574 1.00 42.00 H new ATOM 0 HH12 ARG A 13 -8.286 -6.305 -17.956 1.00 42.00 H new ATOM 0 HH21 ARG A 13 -6.517 -8.772 -19.749 1.00 54.31 H new ATOM 0 HH22 ARG A 13 -7.910 -7.684 -19.745 1.00 54.31 H new ATOM 226 N VAL A 14 -4.698 -11.706 -13.242 1.00 22.42 N ATOM 227 CA VAL A 14 -4.514 -13.118 -13.554 1.00 65.13 C ATOM 228 C VAL A 14 -5.854 -13.807 -13.795 1.00 11.41 C ATOM 229 O VAL A 14 -6.025 -14.527 -14.778 1.00 11.41 O ATOM 230 CB VAL A 14 -3.771 -13.850 -12.421 1.00 21.10 C ATOM 231 CG1 VAL A 14 -3.461 -15.285 -12.825 1.00 11.02 C ATOM 232 CG2 VAL A 14 -2.497 -13.106 -12.053 1.00 61.14 C ATOM 0 H VAL A 14 -4.213 -11.393 -12.401 1.00 22.42 H new ATOM 0 HA VAL A 14 -3.915 -13.166 -14.463 1.00 65.13 H new ATOM 0 HB VAL A 14 -4.417 -13.876 -11.544 1.00 21.10 H new ATOM 0 HG11 VAL A 14 -2.936 -15.787 -12.012 1.00 11.02 H new ATOM 0 HG12 VAL A 14 -4.391 -15.813 -13.036 1.00 11.02 H new ATOM 0 HG13 VAL A 14 -2.834 -15.285 -13.716 1.00 11.02 H new ATOM 0 HG21 VAL A 14 -1.984 -13.637 -11.251 1.00 61.14 H new ATOM 0 HG22 VAL A 14 -1.845 -13.048 -12.924 1.00 61.14 H new ATOM 0 HG23 VAL A 14 -2.747 -12.099 -11.719 1.00 61.14 H new ATOM 242 N GLY A 15 -6.802 -13.578 -12.892 1.00 21.44 N ATOM 243 CA GLY A 15 -8.114 -14.183 -13.025 1.00 52.30 C ATOM 244 C GLY A 15 -9.060 -13.340 -13.857 1.00 73.25 C ATOM 245 O GLY A 15 -10.265 -13.586 -13.879 1.00 42.21 O ATOM 0 H GLY A 15 -6.685 -12.984 -12.071 1.00 21.44 H new ATOM 0 HA2 GLY A 15 -8.012 -15.167 -13.482 1.00 52.30 H new ATOM 0 HA3 GLY A 15 -8.543 -14.334 -12.034 1.00 52.30 H new ATOM 249 N ALA A 16 -8.513 -12.340 -14.541 1.00 11.20 N ATOM 250 CA ALA A 16 -9.316 -11.457 -15.378 1.00 51.25 C ATOM 251 C ALA A 16 -8.824 -11.472 -16.821 1.00 3.23 C ATOM 252 O ALA A 16 -9.342 -10.749 -17.672 1.00 4.14 O ATOM 253 CB ALA A 16 -9.293 -10.040 -14.825 1.00 14.21 C ATOM 0 H ALA A 16 -7.517 -12.121 -14.532 1.00 11.20 H new ATOM 0 HA ALA A 16 -10.343 -11.822 -15.368 1.00 51.25 H new ATOM 0 HB1 ALA A 16 -9.897 -9.392 -15.460 1.00 14.21 H new ATOM 0 HB2 ALA A 16 -9.699 -10.038 -13.814 1.00 14.21 H new ATOM 0 HB3 ALA A 16 -8.266 -9.674 -14.805 1.00 14.21 H new ATOM 259 N VAL A 17 -7.819 -12.301 -17.090 1.00 61.40 N ATOM 260 CA VAL A 17 -7.258 -12.409 -18.432 1.00 25.41 C ATOM 261 C VAL A 17 -8.350 -12.653 -19.467 1.00 62.03 C ATOM 262 O VAL A 17 -9.285 -13.418 -19.230 1.00 65.32 O ATOM 263 CB VAL A 17 -6.224 -13.548 -18.516 1.00 5.11 C ATOM 264 CG1 VAL A 17 -5.928 -13.894 -19.967 1.00 42.13 C ATOM 265 CG2 VAL A 17 -4.949 -13.164 -17.779 1.00 53.34 C ATOM 0 H VAL A 17 -7.378 -12.906 -16.398 1.00 61.40 H new ATOM 0 HA VAL A 17 -6.764 -11.461 -18.646 1.00 25.41 H new ATOM 0 HB VAL A 17 -6.642 -14.432 -18.035 1.00 5.11 H new ATOM 0 HG11 VAL A 17 -5.196 -14.700 -20.007 1.00 42.13 H new ATOM 0 HG12 VAL A 17 -6.846 -14.213 -20.460 1.00 42.13 H new ATOM 0 HG13 VAL A 17 -5.529 -13.017 -20.476 1.00 42.13 H new ATOM 0 HG21 VAL A 17 -4.229 -13.980 -17.848 1.00 53.34 H new ATOM 0 HG22 VAL A 17 -4.525 -12.266 -18.229 1.00 53.34 H new ATOM 0 HG23 VAL A 17 -5.179 -12.971 -16.731 1.00 53.34 H new ATOM 275 N ASP A 18 -8.226 -11.997 -20.615 1.00 53.03 N ATOM 276 CA ASP A 18 -9.202 -12.142 -21.689 1.00 53.12 C ATOM 277 C ASP A 18 -8.659 -13.037 -22.799 1.00 33.02 C ATOM 278 O ASP A 18 -7.467 -13.034 -23.105 1.00 11.13 O ATOM 279 CB ASP A 18 -9.574 -10.772 -22.258 1.00 41.05 C ATOM 280 CG ASP A 18 -10.615 -10.060 -21.415 1.00 3.44 C ATOM 281 OD1 ASP A 18 -10.517 -8.822 -21.272 1.00 41.35 O ATOM 282 OD2 ASP A 18 -11.526 -10.739 -20.899 1.00 43.50 O1- ATOM 0 H ASP A 18 -7.459 -11.359 -20.826 1.00 53.03 H new ATOM 0 HA ASP A 18 -10.095 -12.609 -21.274 1.00 53.12 H new ATOM 0 HB2 ASP A 18 -8.679 -10.154 -22.324 1.00 41.05 H new ATOM 0 HB3 ASP A 18 -9.953 -10.894 -23.273 1.00 41.05 H new ATOM 287 N PRO A 19 -9.554 -13.822 -23.417 1.00 61.33 N ATOM 288 CA PRO A 19 -9.188 -14.738 -24.502 1.00 24.45 C ATOM 289 C PRO A 19 -8.808 -13.999 -25.780 1.00 52.45 C ATOM 290 O PRO A 19 -8.311 -14.600 -26.732 1.00 60.01 O ATOM 291 CB PRO A 19 -10.461 -15.560 -24.718 1.00 44.51 C ATOM 292 CG PRO A 19 -11.565 -14.682 -24.238 1.00 61.04 C ATOM 293 CD PRO A 19 -10.992 -13.878 -23.104 1.00 65.12 C ATOM 0 HA PRO A 19 -8.314 -15.339 -24.250 1.00 24.45 H new ATOM 0 HB2 PRO A 19 -10.591 -15.820 -25.768 1.00 44.51 H new ATOM 0 HB3 PRO A 19 -10.428 -16.495 -24.159 1.00 44.51 H new ATOM 0 HG2 PRO A 19 -11.921 -14.031 -25.037 1.00 61.04 H new ATOM 0 HG3 PRO A 19 -12.418 -15.274 -23.905 1.00 61.04 H new ATOM 0 HD2 PRO A 19 -11.432 -12.882 -23.056 1.00 65.12 H new ATOM 0 HD3 PRO A 19 -11.175 -14.354 -22.141 1.00 65.12 H new ATOM 301 N ASN A 20 -9.047 -12.690 -25.795 1.00 14.21 N ATOM 302 CA ASN A 20 -8.729 -11.869 -26.958 1.00 51.20 C ATOM 303 C ASN A 20 -7.237 -11.559 -27.014 1.00 32.21 C ATOM 304 O ASN A 20 -6.653 -11.455 -28.092 1.00 25.02 O ATOM 305 CB ASN A 20 -9.531 -10.567 -26.922 1.00 64.43 C ATOM 306 CG ASN A 20 -10.659 -10.554 -27.935 1.00 2.35 C ATOM 307 OD1 ASN A 20 -10.662 -9.749 -28.867 1.00 4.13 O ATOM 308 ND2 ASN A 20 -11.624 -11.448 -27.757 1.00 52.44 N ATOM 0 H ASN A 20 -9.459 -12.177 -25.016 1.00 14.21 H new ATOM 0 HA ASN A 20 -8.998 -12.430 -27.853 1.00 51.20 H new ATOM 0 HB2 ASN A 20 -9.942 -10.424 -25.923 1.00 64.43 H new ATOM 0 HB3 ASN A 20 -8.864 -9.727 -27.115 1.00 64.43 H new ATOM 0 HD21 ASN A 20 -12.409 -11.487 -28.407 1.00 52.44 H new ATOM 0 HD22 ASN A 20 -11.580 -12.096 -26.970 1.00 52.44 H new ATOM 315 N GLY A 21 -6.623 -11.414 -25.843 1.00 50.52 N ATOM 316 CA GLY A 21 -5.204 -11.118 -25.780 1.00 62.51 C ATOM 317 C GLY A 21 -4.347 -12.363 -25.890 1.00 11.23 C ATOM 318 O GLY A 21 -3.982 -12.797 -26.984 1.00 25.24 O ATOM 0 H GLY A 21 -7.084 -11.496 -24.937 1.00 50.52 H new ATOM 0 HA2 GLY A 21 -4.944 -10.429 -26.584 1.00 62.51 H new ATOM 0 HA3 GLY A 21 -4.983 -10.610 -24.841 1.00 62.51 H new ATOM 322 N PRO A 22 -4.010 -12.958 -24.737 1.00 62.45 N ATOM 323 CA PRO A 22 -3.185 -14.168 -24.682 1.00 23.24 C ATOM 324 C PRO A 22 -3.919 -15.394 -25.214 1.00 51.52 C ATOM 325 O PRO A 22 -4.980 -15.277 -25.826 1.00 44.23 O ATOM 326 CB PRO A 22 -2.888 -14.328 -23.189 1.00 44.15 C ATOM 327 CG PRO A 22 -4.018 -13.639 -22.503 1.00 54.42 C ATOM 328 CD PRO A 22 -4.409 -12.496 -23.397 1.00 52.42 C ATOM 0 HA PRO A 22 -2.292 -14.081 -25.301 1.00 23.24 H new ATOM 0 HB2 PRO A 22 -2.835 -15.379 -22.906 1.00 44.15 H new ATOM 0 HB3 PRO A 22 -1.931 -13.878 -22.925 1.00 44.15 H new ATOM 0 HG2 PRO A 22 -4.856 -14.320 -22.351 1.00 54.42 H new ATOM 0 HG3 PRO A 22 -3.717 -13.280 -21.519 1.00 54.42 H new ATOM 0 HD2 PRO A 22 -5.479 -12.292 -23.344 1.00 52.42 H new ATOM 0 HD3 PRO A 22 -3.895 -11.575 -23.120 1.00 52.42 H new ATOM 336 N ARG A 23 -3.347 -16.570 -24.975 1.00 3.14 N ATOM 337 CA ARG A 23 -3.947 -17.818 -25.431 1.00 53.14 C ATOM 338 C ARG A 23 -3.627 -18.959 -24.469 1.00 53.31 C ATOM 339 O ARG A 23 -2.773 -18.825 -23.593 1.00 11.32 O ATOM 340 CB ARG A 23 -3.447 -18.166 -26.835 1.00 65.52 C ATOM 341 CG ARG A 23 -3.982 -17.243 -27.917 1.00 43.32 C ATOM 342 CD ARG A 23 -5.502 -17.254 -27.959 1.00 4.23 C ATOM 343 NE ARG A 23 -6.012 -17.603 -29.282 1.00 13.13 N ATOM 344 CZ ARG A 23 -7.288 -17.869 -29.533 1.00 63.53 C ATOM 345 NH1 ARG A 23 -8.182 -17.826 -28.554 1.00 60.23 N1+ ATOM 346 NH2 ARG A 23 -7.674 -18.178 -30.764 1.00 32.33 N ATOM 0 H ARG A 23 -2.469 -16.684 -24.468 1.00 3.14 H new ATOM 0 HA ARG A 23 -5.028 -17.682 -25.460 1.00 53.14 H new ATOM 0 HB2 ARG A 23 -2.358 -18.129 -26.843 1.00 65.52 H new ATOM 0 HB3 ARG A 23 -3.733 -19.191 -27.070 1.00 65.52 H new ATOM 0 HG2 ARG A 23 -3.630 -16.227 -27.737 1.00 43.32 H new ATOM 0 HG3 ARG A 23 -3.588 -17.550 -28.886 1.00 43.32 H new ATOM 0 HD2 ARG A 23 -5.879 -17.967 -27.226 1.00 4.23 H new ATOM 0 HD3 ARG A 23 -5.879 -16.272 -27.673 1.00 4.23 H new ATOM 0 HE ARG A 23 -5.350 -17.645 -30.057 1.00 13.13 H new ATOM 0 HH11 ARG A 23 -7.889 -17.588 -27.606 1.00 60.23 H new ATOM 0 HH12 ARG A 23 -9.162 -18.031 -28.749 1.00 60.23 H new ATOM 0 HH21 ARG A 23 -6.990 -18.212 -31.520 1.00 32.33 H new ATOM 0 HH22 ARG A 23 -8.655 -18.382 -30.955 1.00 32.33 H new ATOM 360 N LYS A 24 -4.319 -20.081 -24.639 1.00 71.13 N ATOM 361 CA LYS A 24 -4.108 -21.246 -23.788 1.00 41.04 C ATOM 362 C LYS A 24 -2.620 -21.534 -23.618 1.00 22.22 C ATOM 363 O LYS A 24 -1.971 -22.055 -24.525 1.00 21.24 O ATOM 364 CB LYS A 24 -4.812 -22.469 -24.380 1.00 44.53 C ATOM 365 CG LYS A 24 -6.254 -22.620 -23.926 1.00 62.53 C ATOM 366 CD LYS A 24 -7.105 -23.298 -24.986 1.00 63.55 C ATOM 367 CE LYS A 24 -7.454 -22.342 -26.116 1.00 34.31 C ATOM 368 NZ LYS A 24 -8.441 -22.936 -27.060 1.00 63.14 N1+ ATOM 0 H LYS A 24 -5.031 -20.208 -25.359 1.00 71.13 H new ATOM 0 HA LYS A 24 -4.532 -21.030 -22.807 1.00 41.04 H new ATOM 0 HB2 LYS A 24 -4.788 -22.401 -25.468 1.00 44.53 H new ATOM 0 HB3 LYS A 24 -4.257 -23.366 -24.104 1.00 44.53 H new ATOM 0 HG2 LYS A 24 -6.287 -23.202 -23.005 1.00 62.53 H new ATOM 0 HG3 LYS A 24 -6.669 -21.638 -23.698 1.00 62.53 H new ATOM 0 HD2 LYS A 24 -6.570 -24.158 -25.388 1.00 63.55 H new ATOM 0 HD3 LYS A 24 -8.021 -23.676 -24.532 1.00 63.55 H new ATOM 0 HE2 LYS A 24 -7.859 -21.420 -25.699 1.00 34.31 H new ATOM 0 HE3 LYS A 24 -6.547 -22.075 -26.659 1.00 34.31 H new ATOM 0 HZ1 LYS A 24 -8.653 -22.254 -27.816 1.00 63.14 H new ATOM 0 HZ2 LYS A 24 -8.045 -23.802 -27.477 1.00 63.14 H new ATOM 0 HZ3 LYS A 24 -9.316 -23.167 -26.547 1.00 63.14 H new ATOM 382 N VAL A 25 -2.085 -21.196 -22.450 1.00 32.25 N ATOM 383 CA VAL A 25 -0.675 -21.422 -22.160 1.00 72.11 C ATOM 384 C VAL A 25 -0.499 -22.452 -21.050 1.00 51.12 C ATOM 385 O VAL A 25 -1.473 -22.893 -20.437 1.00 43.45 O ATOM 386 CB VAL A 25 0.030 -20.115 -21.749 1.00 34.14 C ATOM 387 CG1 VAL A 25 0.194 -19.196 -22.949 1.00 11.11 C ATOM 388 CG2 VAL A 25 -0.741 -19.421 -20.637 1.00 3.14 C ATOM 0 H VAL A 25 -2.608 -20.764 -21.688 1.00 32.25 H new ATOM 0 HA VAL A 25 -0.221 -21.799 -23.076 1.00 72.11 H new ATOM 0 HB VAL A 25 1.023 -20.361 -21.373 1.00 34.14 H new ATOM 0 HG11 VAL A 25 0.694 -18.278 -22.639 1.00 11.11 H new ATOM 0 HG12 VAL A 25 0.793 -19.696 -23.711 1.00 11.11 H new ATOM 0 HG13 VAL A 25 -0.787 -18.954 -23.359 1.00 11.11 H new ATOM 0 HG21 VAL A 25 -0.229 -18.500 -20.359 1.00 3.14 H new ATOM 0 HG22 VAL A 25 -1.747 -19.186 -20.984 1.00 3.14 H new ATOM 0 HG23 VAL A 25 -0.800 -20.079 -19.770 1.00 3.14 H new ATOM 398 N LEU A 26 0.748 -22.831 -20.795 1.00 52.13 N ATOM 399 CA LEU A 26 1.052 -23.811 -19.757 1.00 53.31 C ATOM 400 C LEU A 26 2.421 -23.543 -19.140 1.00 41.52 C ATOM 401 O LEU A 26 3.368 -23.182 -19.837 1.00 23.31 O ATOM 402 CB LEU A 26 1.009 -25.226 -20.335 1.00 34.22 C ATOM 403 CG LEU A 26 2.188 -25.625 -21.224 1.00 5.53 C ATOM 404 CD1 LEU A 26 3.118 -26.574 -20.484 1.00 50.53 C ATOM 405 CD2 LEU A 26 1.693 -26.259 -22.515 1.00 1.25 C ATOM 0 H LEU A 26 1.565 -22.475 -21.292 1.00 52.13 H new ATOM 0 HA LEU A 26 0.297 -23.722 -18.976 1.00 53.31 H new ATOM 0 HB2 LEU A 26 0.948 -25.933 -19.508 1.00 34.22 H new ATOM 0 HB3 LEU A 26 0.091 -25.333 -20.913 1.00 34.22 H new ATOM 0 HG LEU A 26 2.748 -24.725 -21.477 1.00 5.53 H new ATOM 0 HD11 LEU A 26 3.951 -26.847 -21.132 1.00 50.53 H new ATOM 0 HD12 LEU A 26 3.501 -26.084 -19.589 1.00 50.53 H new ATOM 0 HD13 LEU A 26 2.570 -27.472 -20.200 1.00 50.53 H new ATOM 0 HD21 LEU A 26 2.546 -26.536 -23.135 1.00 1.25 H new ATOM 0 HD22 LEU A 26 1.109 -27.149 -22.282 1.00 1.25 H new ATOM 0 HD23 LEU A 26 1.069 -25.546 -23.054 1.00 1.25 H new ATOM 417 N GLY A 27 2.518 -23.723 -17.826 1.00 11.13 N ATOM 418 CA GLY A 27 3.775 -23.498 -17.138 1.00 74.50 C ATOM 419 C GLY A 27 3.584 -22.863 -15.773 1.00 72.22 C ATOM 420 O GLY A 27 2.459 -22.744 -15.288 1.00 33.15 O ATOM 0 H GLY A 27 1.748 -24.021 -17.226 1.00 11.13 H new ATOM 0 HA2 GLY A 27 4.298 -24.447 -17.024 1.00 74.50 H new ATOM 0 HA3 GLY A 27 4.410 -22.856 -17.748 1.00 74.50 H new ATOM 424 N VAL A 28 4.687 -22.457 -15.152 1.00 0.31 N ATOM 425 CA VAL A 28 4.636 -21.833 -13.836 1.00 11.43 C ATOM 426 C VAL A 28 5.756 -20.812 -13.667 1.00 12.21 C ATOM 427 O VAL A 28 6.826 -20.946 -14.263 1.00 72.43 O ATOM 428 CB VAL A 28 4.737 -22.881 -12.712 1.00 51.42 C ATOM 429 CG1 VAL A 28 4.267 -22.295 -11.390 1.00 54.12 C ATOM 430 CG2 VAL A 28 3.937 -24.124 -13.070 1.00 65.50 C ATOM 0 H VAL A 28 5.626 -22.549 -15.539 1.00 0.31 H new ATOM 0 HA VAL A 28 3.673 -21.327 -13.764 1.00 11.43 H new ATOM 0 HB VAL A 28 5.782 -23.170 -12.601 1.00 51.42 H new ATOM 0 HG11 VAL A 28 4.346 -23.051 -10.608 1.00 54.12 H new ATOM 0 HG12 VAL A 28 4.889 -21.438 -11.130 1.00 54.12 H new ATOM 0 HG13 VAL A 28 3.229 -21.975 -11.482 1.00 54.12 H new ATOM 0 HG21 VAL A 28 4.019 -24.854 -12.265 1.00 65.50 H new ATOM 0 HG22 VAL A 28 2.890 -23.855 -13.210 1.00 65.50 H new ATOM 0 HG23 VAL A 28 4.327 -24.555 -13.992 1.00 65.50 H new ATOM 440 N PHE A 29 5.504 -19.793 -12.852 1.00 21.24 N ATOM 441 CA PHE A 29 6.492 -18.749 -12.606 1.00 24.31 C ATOM 442 C PHE A 29 6.789 -18.623 -11.115 1.00 74.32 C ATOM 443 O PHE A 29 5.892 -18.747 -10.281 1.00 14.41 O ATOM 444 CB PHE A 29 5.996 -17.409 -13.154 1.00 62.43 C ATOM 445 CG PHE A 29 5.688 -17.440 -14.624 1.00 74.23 C ATOM 446 CD1 PHE A 29 4.469 -16.984 -15.099 1.00 73.12 C ATOM 447 CD2 PHE A 29 6.618 -17.924 -15.529 1.00 0.33 C ATOM 448 CE1 PHE A 29 4.183 -17.010 -16.450 1.00 43.11 C ATOM 449 CE2 PHE A 29 6.337 -17.952 -16.882 1.00 64.12 C ATOM 450 CZ PHE A 29 5.118 -17.496 -17.344 1.00 52.54 C ATOM 0 H PHE A 29 4.624 -19.668 -12.351 1.00 21.24 H new ATOM 0 HA PHE A 29 7.413 -19.025 -13.120 1.00 24.31 H new ATOM 0 HB2 PHE A 29 5.100 -17.112 -12.609 1.00 62.43 H new ATOM 0 HB3 PHE A 29 6.751 -16.646 -12.965 1.00 62.43 H new ATOM 0 HD1 PHE A 29 3.734 -16.604 -14.405 1.00 73.12 H new ATOM 0 HD2 PHE A 29 7.573 -18.283 -15.174 1.00 0.33 H new ATOM 0 HE1 PHE A 29 3.229 -16.651 -16.807 1.00 43.11 H new ATOM 0 HE2 PHE A 29 7.071 -18.331 -17.578 1.00 64.12 H new ATOM 0 HZ PHE A 29 4.896 -17.519 -18.401 1.00 52.54 H new ATOM 460 N GLN A 30 8.054 -18.378 -10.788 1.00 73.10 N ATOM 461 CA GLN A 30 8.469 -18.237 -9.397 1.00 2.03 C ATOM 462 C GLN A 30 8.967 -16.822 -9.120 1.00 32.14 C ATOM 463 O GLN A 30 10.134 -16.505 -9.359 1.00 10.04 O ATOM 464 CB GLN A 30 9.565 -19.251 -9.066 1.00 11.10 C ATOM 465 CG GLN A 30 9.848 -19.376 -7.578 1.00 21.52 C ATOM 466 CD GLN A 30 8.583 -19.512 -6.753 1.00 3.11 C ATOM 467 OE1 GLN A 30 7.690 -20.291 -7.088 1.00 64.02 O ATOM 468 NE2 GLN A 30 8.500 -18.753 -5.666 1.00 1.20 N ATOM 0 H GLN A 30 8.808 -18.273 -11.466 1.00 73.10 H new ATOM 0 HA GLN A 30 7.603 -18.429 -8.763 1.00 2.03 H new ATOM 0 HB2 GLN A 30 9.275 -20.227 -9.456 1.00 11.10 H new ATOM 0 HB3 GLN A 30 10.482 -18.962 -9.579 1.00 11.10 H new ATOM 0 HG2 GLN A 30 10.485 -20.243 -7.405 1.00 21.52 H new ATOM 0 HG3 GLN A 30 10.404 -18.500 -7.243 1.00 21.52 H new ATOM 0 HE21 GLN A 30 9.264 -18.121 -5.426 1.00 1.20 H new ATOM 0 HE22 GLN A 30 7.673 -18.802 -5.072 1.00 1.20 H new ATOM 477 N LEU A 31 8.078 -15.976 -8.613 1.00 65.02 N ATOM 478 CA LEU A 31 8.426 -14.594 -8.302 1.00 54.50 C ATOM 479 C LEU A 31 9.128 -14.501 -6.951 1.00 53.24 C ATOM 480 O LEU A 31 8.629 -15.005 -5.946 1.00 13.04 O ATOM 481 CB LEU A 31 7.172 -13.719 -8.300 1.00 52.25 C ATOM 482 CG LEU A 31 7.203 -12.503 -7.372 1.00 62.25 C ATOM 483 CD1 LEU A 31 8.351 -11.579 -7.743 1.00 62.41 C ATOM 484 CD2 LEU A 31 5.877 -11.759 -7.425 1.00 64.43 C ATOM 0 H LEU A 31 7.110 -16.223 -8.408 1.00 65.02 H new ATOM 0 HA LEU A 31 9.109 -14.235 -9.072 1.00 54.50 H new ATOM 0 HB2 LEU A 31 6.995 -13.370 -9.317 1.00 52.25 H new ATOM 0 HB3 LEU A 31 6.320 -14.340 -8.024 1.00 52.25 H new ATOM 0 HG LEU A 31 7.360 -12.851 -6.351 1.00 62.25 H new ATOM 0 HD11 LEU A 31 8.358 -10.720 -7.073 1.00 62.41 H new ATOM 0 HD12 LEU A 31 9.295 -12.117 -7.653 1.00 62.41 H new ATOM 0 HD13 LEU A 31 8.225 -11.237 -8.770 1.00 62.41 H new ATOM 0 HD21 LEU A 31 5.917 -10.897 -6.759 1.00 64.43 H new ATOM 0 HD22 LEU A 31 5.690 -11.422 -8.444 1.00 64.43 H new ATOM 0 HD23 LEU A 31 5.073 -12.425 -7.110 1.00 64.43 H new ATOM 496 N ASN A 32 10.286 -13.850 -6.935 1.00 55.44 N ATOM 497 CA ASN A 32 11.056 -13.688 -5.706 1.00 63.23 C ATOM 498 C ASN A 32 11.382 -12.218 -5.458 1.00 53.21 C ATOM 499 O ASN A 32 12.124 -11.599 -6.221 1.00 30.12 O ATOM 500 CB ASN A 32 12.348 -14.504 -5.778 1.00 15.22 C ATOM 501 CG ASN A 32 12.093 -15.964 -6.099 1.00 74.20 C ATOM 502 OD1 ASN A 32 12.019 -16.804 -5.203 1.00 54.54 O ATOM 503 ND2 ASN A 32 11.959 -16.272 -7.383 1.00 41.33 N ATOM 0 H ASN A 32 10.712 -13.426 -7.759 1.00 55.44 H new ATOM 0 HA ASN A 32 10.450 -14.052 -4.876 1.00 63.23 H new ATOM 0 HB2 ASN A 32 13.002 -14.077 -6.538 1.00 15.22 H new ATOM 0 HB3 ASN A 32 12.874 -14.431 -4.826 1.00 15.22 H new ATOM 0 HD21 ASN A 32 11.787 -17.238 -7.660 1.00 41.33 H new ATOM 0 HD22 ASN A 32 12.028 -15.542 -8.092 1.00 41.33 H new ATOM 510 N ILE A 33 10.821 -11.667 -4.386 1.00 31.21 N ATOM 511 CA ILE A 33 11.054 -10.271 -4.037 1.00 31.14 C ATOM 512 C ILE A 33 11.913 -10.154 -2.783 1.00 52.44 C ATOM 513 O ILE A 33 11.645 -10.801 -1.771 1.00 11.10 O ATOM 514 CB ILE A 33 9.729 -9.520 -3.810 1.00 13.11 C ATOM 515 CG1 ILE A 33 8.786 -9.732 -4.996 1.00 12.13 C ATOM 516 CG2 ILE A 33 9.991 -8.037 -3.594 1.00 60.34 C ATOM 517 CD1 ILE A 33 7.703 -10.754 -4.732 1.00 72.22 C ATOM 0 H ILE A 33 10.203 -12.165 -3.745 1.00 31.21 H new ATOM 0 HA ILE A 33 11.580 -9.818 -4.878 1.00 31.14 H new ATOM 0 HB ILE A 33 9.252 -9.919 -2.915 1.00 13.11 H new ATOM 0 HG12 ILE A 33 8.321 -8.781 -5.255 1.00 12.13 H new ATOM 0 HG13 ILE A 33 9.369 -10.048 -5.861 1.00 12.13 H new ATOM 0 HG21 ILE A 33 9.045 -7.520 -3.435 1.00 60.34 H new ATOM 0 HG22 ILE A 33 10.629 -7.904 -2.720 1.00 60.34 H new ATOM 0 HG23 ILE A 33 10.487 -7.624 -4.472 1.00 60.34 H new ATOM 0 HD11 ILE A 33 7.072 -10.852 -5.616 1.00 72.22 H new ATOM 0 HD12 ILE A 33 8.159 -11.717 -4.503 1.00 72.22 H new ATOM 0 HD13 ILE A 33 7.095 -10.430 -3.887 1.00 72.22 H new ATOM 529 N LYS A 34 12.947 -9.323 -2.856 1.00 22.24 N ATOM 530 CA LYS A 34 13.846 -9.117 -1.727 1.00 23.21 C ATOM 531 C LYS A 34 13.170 -8.292 -0.637 1.00 44.34 C ATOM 532 O LYS A 34 12.312 -7.455 -0.919 1.00 15.11 O ATOM 533 CB LYS A 34 15.127 -8.421 -2.189 1.00 53.34 C ATOM 534 CG LYS A 34 15.007 -6.907 -2.254 1.00 41.43 C ATOM 535 CD LYS A 34 15.712 -6.344 -3.478 1.00 33.21 C ATOM 536 CE LYS A 34 17.066 -5.752 -3.117 1.00 40.23 C ATOM 537 NZ LYS A 34 17.974 -5.690 -4.296 1.00 30.42 N1+ ATOM 0 H LYS A 34 13.183 -8.780 -3.687 1.00 22.24 H new ATOM 0 HA LYS A 34 14.100 -10.093 -1.314 1.00 23.21 H new ATOM 0 HB2 LYS A 34 15.939 -8.684 -1.511 1.00 53.34 H new ATOM 0 HB3 LYS A 34 15.400 -8.798 -3.174 1.00 53.34 H new ATOM 0 HG2 LYS A 34 13.954 -6.625 -2.277 1.00 41.43 H new ATOM 0 HG3 LYS A 34 15.435 -6.468 -1.353 1.00 41.43 H new ATOM 0 HD2 LYS A 34 15.844 -7.133 -4.218 1.00 33.21 H new ATOM 0 HD3 LYS A 34 15.089 -5.577 -3.938 1.00 33.21 H new ATOM 0 HE2 LYS A 34 16.928 -4.750 -2.711 1.00 40.23 H new ATOM 0 HE3 LYS A 34 17.528 -6.352 -2.333 1.00 40.23 H new ATOM 0 HZ1 LYS A 34 18.887 -5.281 -4.010 1.00 30.42 H new ATOM 0 HZ2 LYS A 34 18.126 -6.649 -4.668 1.00 30.42 H new ATOM 0 HZ3 LYS A 34 17.545 -5.096 -5.034 1.00 30.42 H new ATOM 551 N THR A 35 13.563 -8.531 0.610 1.00 41.14 N ATOM 552 CA THR A 35 12.995 -7.809 1.742 1.00 62.04 C ATOM 553 C THR A 35 14.053 -7.533 2.805 1.00 21.21 C ATOM 554 O THR A 35 15.204 -7.949 2.670 1.00 42.41 O ATOM 555 CB THR A 35 11.833 -8.593 2.382 1.00 73.14 C ATOM 556 OG1 THR A 35 12.339 -9.510 3.358 1.00 74.33 O ATOM 557 CG2 THR A 35 11.045 -9.351 1.325 1.00 21.11 C ATOM 0 H THR A 35 14.273 -9.219 0.862 1.00 41.14 H new ATOM 0 HA THR A 35 12.616 -6.863 1.356 1.00 62.04 H new ATOM 0 HB THR A 35 11.166 -7.880 2.867 1.00 73.14 H new ATOM 0 HG1 THR A 35 11.594 -10.003 3.761 1.00 74.33 H new ATOM 0 HG21 THR A 35 10.230 -9.897 1.800 1.00 21.11 H new ATOM 0 HG22 THR A 35 10.636 -8.646 0.601 1.00 21.11 H new ATOM 0 HG23 THR A 35 11.703 -10.054 0.815 1.00 21.11 H new ATOM 565 N ALA A 36 13.655 -6.832 3.861 1.00 32.44 N ATOM 566 CA ALA A 36 14.569 -6.504 4.948 1.00 70.24 C ATOM 567 C ALA A 36 14.773 -7.698 5.873 1.00 54.21 C ATOM 568 O ALA A 36 15.704 -7.720 6.678 1.00 10.51 O ATOM 569 CB ALA A 36 14.048 -5.309 5.733 1.00 11.33 C ATOM 0 H ALA A 36 12.706 -6.480 3.987 1.00 32.44 H new ATOM 0 HA ALA A 36 15.534 -6.246 4.512 1.00 70.24 H new ATOM 0 HB1 ALA A 36 14.740 -5.075 6.542 1.00 11.33 H new ATOM 0 HB2 ALA A 36 13.960 -4.448 5.070 1.00 11.33 H new ATOM 0 HB3 ALA A 36 13.070 -5.546 6.150 1.00 11.33 H new ATOM 575 N SER A 37 13.896 -8.690 5.754 1.00 12.43 N ATOM 576 CA SER A 37 13.977 -9.887 6.583 1.00 24.12 C ATOM 577 C SER A 37 14.254 -11.121 5.730 1.00 71.45 C ATOM 578 O SER A 37 14.058 -12.252 6.174 1.00 35.33 O ATOM 579 CB SER A 37 12.679 -10.077 7.370 1.00 74.34 C ATOM 580 OG SER A 37 12.737 -9.408 8.618 1.00 31.32 O ATOM 0 H SER A 37 13.121 -8.688 5.091 1.00 12.43 H new ATOM 0 HA SER A 37 14.802 -9.759 7.283 1.00 24.12 H new ATOM 0 HB2 SER A 37 11.839 -9.697 6.789 1.00 74.34 H new ATOM 0 HB3 SER A 37 12.500 -11.140 7.532 1.00 74.34 H new ATOM 0 HG SER A 37 11.895 -9.543 9.101 1.00 31.32 H new ATOM 586 N GLY A 38 14.711 -10.894 4.502 1.00 20.32 N ATOM 587 CA GLY A 38 15.008 -11.997 3.606 1.00 11.02 C ATOM 588 C GLY A 38 14.382 -11.814 2.237 1.00 44.13 C ATOM 589 O GLY A 38 14.526 -10.763 1.614 1.00 2.10 O ATOM 0 H GLY A 38 14.881 -9.967 4.112 1.00 20.32 H new ATOM 0 HA2 GLY A 38 16.088 -12.094 3.499 1.00 11.02 H new ATOM 0 HA3 GLY A 38 14.647 -12.927 4.046 1.00 11.02 H new ATOM 593 N VAL A 39 13.683 -12.843 1.766 1.00 25.01 N ATOM 594 CA VAL A 39 13.033 -12.793 0.463 1.00 53.13 C ATOM 595 C VAL A 39 11.698 -13.528 0.485 1.00 4.40 C ATOM 596 O VAL A 39 11.571 -14.585 1.103 1.00 12.03 O ATOM 597 CB VAL A 39 13.925 -13.405 -0.634 1.00 31.52 C ATOM 598 CG1 VAL A 39 13.903 -14.924 -0.553 1.00 45.01 C ATOM 599 CG2 VAL A 39 13.482 -12.930 -2.008 1.00 44.20 C ATOM 0 H VAL A 39 13.553 -13.721 2.268 1.00 25.01 H new ATOM 0 HA VAL A 39 12.861 -11.741 0.236 1.00 53.13 H new ATOM 0 HB VAL A 39 14.950 -13.071 -0.473 1.00 31.52 H new ATOM 0 HG11 VAL A 39 14.538 -15.339 -1.335 1.00 45.01 H new ATOM 0 HG12 VAL A 39 14.273 -15.242 0.422 1.00 45.01 H new ATOM 0 HG13 VAL A 39 12.882 -15.281 -0.688 1.00 45.01 H new ATOM 0 HG21 VAL A 39 14.123 -13.372 -2.770 1.00 44.20 H new ATOM 0 HG22 VAL A 39 12.449 -13.233 -2.182 1.00 44.20 H new ATOM 0 HG23 VAL A 39 13.555 -11.844 -2.058 1.00 44.20 H new ATOM 609 N GLU A 40 10.705 -12.961 -0.193 1.00 32.42 N ATOM 610 CA GLU A 40 9.378 -13.564 -0.249 1.00 60.10 C ATOM 611 C GLU A 40 9.169 -14.295 -1.572 1.00 42.53 C ATOM 612 O GLU A 40 9.288 -13.704 -2.645 1.00 20.13 O ATOM 613 CB GLU A 40 8.299 -12.494 -0.070 1.00 24.13 C ATOM 614 CG GLU A 40 8.541 -11.240 -0.894 1.00 11.04 C ATOM 615 CD GLU A 40 7.443 -10.210 -0.725 1.00 24.31 C ATOM 616 OE1 GLU A 40 7.769 -9.038 -0.441 1.00 60.43 O ATOM 617 OE2 GLU A 40 6.258 -10.574 -0.876 1.00 55.13 O1- ATOM 0 H GLU A 40 10.794 -12.086 -0.710 1.00 32.42 H new ATOM 0 HA GLU A 40 9.301 -14.287 0.563 1.00 60.10 H new ATOM 0 HB2 GLU A 40 7.332 -12.916 -0.343 1.00 24.13 H new ATOM 0 HB3 GLU A 40 8.242 -12.221 0.984 1.00 24.13 H new ATOM 0 HG2 GLU A 40 9.495 -10.799 -0.606 1.00 11.04 H new ATOM 0 HG3 GLU A 40 8.620 -11.511 -1.947 1.00 11.04 H new ATOM 624 N GLN A 41 8.857 -15.585 -1.485 1.00 42.11 N ATOM 625 CA GLN A 41 8.632 -16.397 -2.676 1.00 75.52 C ATOM 626 C GLN A 41 7.184 -16.290 -3.143 1.00 53.35 C ATOM 627 O GLN A 41 6.290 -15.985 -2.355 1.00 61.42 O ATOM 628 CB GLN A 41 8.983 -17.859 -2.394 1.00 53.24 C ATOM 629 CG GLN A 41 10.438 -18.072 -2.006 1.00 24.20 C ATOM 630 CD GLN A 41 11.289 -18.543 -3.169 1.00 1.24 C ATOM 631 OE1 GLN A 41 10.772 -19.043 -4.168 1.00 52.30 O ATOM 632 NE2 GLN A 41 12.602 -18.387 -3.043 1.00 4.21 N ATOM 0 H GLN A 41 8.755 -16.089 -0.604 1.00 42.11 H new ATOM 0 HA GLN A 41 9.278 -16.021 -3.469 1.00 75.52 H new ATOM 0 HB2 GLN A 41 8.344 -18.229 -1.592 1.00 53.24 H new ATOM 0 HB3 GLN A 41 8.761 -18.455 -3.279 1.00 53.24 H new ATOM 0 HG2 GLN A 41 10.846 -17.140 -1.616 1.00 24.20 H new ATOM 0 HG3 GLN A 41 10.492 -18.805 -1.201 1.00 24.20 H new ATOM 0 HE21 GLN A 41 12.987 -17.967 -2.197 1.00 4.21 H new ATOM 0 HE22 GLN A 41 13.225 -18.687 -3.793 1.00 4.21 H new ATOM 641 N TRP A 42 6.963 -16.542 -4.427 1.00 43.02 N ATOM 642 CA TRP A 42 5.623 -16.474 -4.999 1.00 5.44 C ATOM 643 C TRP A 42 5.500 -17.395 -6.209 1.00 60.44 C ATOM 644 O TRP A 42 6.444 -17.547 -6.984 1.00 11.52 O ATOM 645 CB TRP A 42 5.291 -15.036 -5.402 1.00 34.30 C ATOM 646 CG TRP A 42 5.192 -14.101 -4.236 1.00 73.05 C ATOM 647 CD1 TRP A 42 6.197 -13.344 -3.703 1.00 55.51 C ATOM 648 CD2 TRP A 42 4.022 -13.823 -3.457 1.00 63.13 C ATOM 649 NE1 TRP A 42 5.723 -12.614 -2.640 1.00 41.21 N ATOM 650 CE2 TRP A 42 4.392 -12.889 -2.469 1.00 71.54 C ATOM 651 CE3 TRP A 42 2.700 -14.271 -3.499 1.00 23.42 C ATOM 652 CZ2 TRP A 42 3.486 -12.399 -1.533 1.00 54.54 C ATOM 653 CZ3 TRP A 42 1.802 -13.784 -2.569 1.00 35.41 C ATOM 654 CH2 TRP A 42 2.197 -12.854 -1.598 1.00 22.13 C ATOM 0 H TRP A 42 7.694 -16.795 -5.092 1.00 43.02 H new ATOM 0 HA TRP A 42 4.914 -16.805 -4.240 1.00 5.44 H new ATOM 0 HB2 TRP A 42 6.057 -14.672 -6.087 1.00 34.30 H new ATOM 0 HB3 TRP A 42 4.347 -15.028 -5.947 1.00 34.30 H new ATOM 0 HD1 TRP A 42 7.215 -13.323 -4.064 1.00 55.51 H new ATOM 0 HE1 TRP A 42 6.273 -11.971 -2.070 1.00 41.21 H new ATOM 0 HE3 TRP A 42 2.385 -14.985 -4.245 1.00 23.42 H new ATOM 0 HZ2 TRP A 42 3.790 -11.685 -0.782 1.00 54.54 H new ATOM 0 HZ3 TRP A 42 0.778 -14.126 -2.591 1.00 35.41 H new ATOM 0 HH2 TRP A 42 1.470 -12.489 -0.887 1.00 22.13 H new ATOM 665 N ILE A 43 4.330 -18.007 -6.364 1.00 22.22 N ATOM 666 CA ILE A 43 4.084 -18.912 -7.479 1.00 14.53 C ATOM 667 C ILE A 43 2.965 -18.390 -8.374 1.00 73.12 C ATOM 668 O ILE A 43 1.859 -18.115 -7.908 1.00 34.33 O ATOM 669 CB ILE A 43 3.717 -20.324 -6.988 1.00 20.41 C ATOM 670 CG1 ILE A 43 4.774 -20.840 -6.010 1.00 31.22 C ATOM 671 CG2 ILE A 43 3.570 -21.274 -8.168 1.00 31.11 C ATOM 672 CD1 ILE A 43 4.276 -20.955 -4.587 1.00 2.14 C ATOM 0 H ILE A 43 3.538 -17.892 -5.731 1.00 22.22 H new ATOM 0 HA ILE A 43 5.010 -18.965 -8.052 1.00 14.53 H new ATOM 0 HB ILE A 43 2.761 -20.273 -6.466 1.00 20.41 H new ATOM 0 HG12 ILE A 43 5.121 -21.818 -6.345 1.00 31.22 H new ATOM 0 HG13 ILE A 43 5.635 -20.172 -6.032 1.00 31.22 H new ATOM 0 HG21 ILE A 43 3.310 -22.268 -7.804 1.00 31.11 H new ATOM 0 HG22 ILE A 43 2.783 -20.913 -8.830 1.00 31.11 H new ATOM 0 HG23 ILE A 43 4.511 -21.322 -8.716 1.00 31.11 H new ATOM 0 HD11 ILE A 43 5.078 -21.327 -3.950 1.00 2.14 H new ATOM 0 HD12 ILE A 43 3.956 -19.975 -4.233 1.00 2.14 H new ATOM 0 HD13 ILE A 43 3.434 -21.646 -4.551 1.00 2.14 H new ATOM 684 N VAL A 44 3.260 -18.256 -9.663 1.00 32.54 N ATOM 685 CA VAL A 44 2.278 -17.769 -10.625 1.00 1.41 C ATOM 686 C VAL A 44 2.096 -18.757 -11.773 1.00 62.00 C ATOM 687 O VAL A 44 2.940 -18.852 -12.663 1.00 64.24 O ATOM 688 CB VAL A 44 2.687 -16.401 -11.202 1.00 75.11 C ATOM 689 CG1 VAL A 44 1.459 -15.612 -11.630 1.00 0.24 C ATOM 690 CG2 VAL A 44 3.506 -15.618 -10.185 1.00 14.24 C ATOM 0 H VAL A 44 4.171 -18.478 -10.065 1.00 32.54 H new ATOM 0 HA VAL A 44 1.336 -17.662 -10.087 1.00 1.41 H new ATOM 0 HB VAL A 44 3.306 -16.568 -12.083 1.00 75.11 H new ATOM 0 HG11 VAL A 44 1.769 -14.649 -12.035 1.00 0.24 H new ATOM 0 HG12 VAL A 44 0.916 -16.169 -12.394 1.00 0.24 H new ATOM 0 HG13 VAL A 44 0.811 -15.452 -10.768 1.00 0.24 H new ATOM 0 HG21 VAL A 44 3.787 -14.654 -10.609 1.00 14.24 H new ATOM 0 HG22 VAL A 44 2.913 -15.460 -9.284 1.00 14.24 H new ATOM 0 HG23 VAL A 44 4.406 -16.179 -9.933 1.00 14.24 H new ATOM 700 N ASP A 45 0.989 -19.490 -11.744 1.00 45.32 N ATOM 701 CA ASP A 45 0.694 -20.471 -12.782 1.00 21.31 C ATOM 702 C ASP A 45 0.035 -19.806 -13.987 1.00 43.53 C ATOM 703 O ASP A 45 -0.640 -18.785 -13.852 1.00 12.42 O ATOM 704 CB ASP A 45 -0.214 -21.571 -12.231 1.00 64.12 C ATOM 705 CG ASP A 45 -1.254 -22.021 -13.237 1.00 63.33 C ATOM 706 OD1 ASP A 45 -1.014 -23.035 -13.926 1.00 21.05 O ATOM 707 OD2 ASP A 45 -2.309 -21.360 -13.336 1.00 51.12 O1- ATOM 0 H ASP A 45 0.281 -19.424 -11.013 1.00 45.32 H new ATOM 0 HA ASP A 45 1.635 -20.916 -13.105 1.00 21.31 H new ATOM 0 HB2 ASP A 45 0.394 -22.426 -11.935 1.00 64.12 H new ATOM 0 HB3 ASP A 45 -0.714 -21.209 -11.333 1.00 64.12 H new ATOM 712 N LEU A 46 0.237 -20.391 -15.162 1.00 52.01 N ATOM 713 CA LEU A 46 -0.336 -19.854 -16.392 1.00 33.22 C ATOM 714 C LEU A 46 -1.357 -20.821 -16.983 1.00 13.22 C ATOM 715 O LEU A 46 -2.108 -20.467 -17.893 1.00 72.41 O ATOM 716 CB LEU A 46 0.768 -19.573 -17.413 1.00 61.21 C ATOM 717 CG LEU A 46 2.026 -20.434 -17.294 1.00 13.54 C ATOM 718 CD1 LEU A 46 2.742 -20.520 -18.633 1.00 24.32 C ATOM 719 CD2 LEU A 46 2.955 -19.878 -16.225 1.00 32.43 C ATOM 0 H LEU A 46 0.793 -21.237 -15.290 1.00 52.01 H new ATOM 0 HA LEU A 46 -0.844 -18.920 -16.150 1.00 33.22 H new ATOM 0 HB2 LEU A 46 0.354 -19.706 -18.412 1.00 61.21 H new ATOM 0 HB3 LEU A 46 1.059 -18.526 -17.325 1.00 61.21 H new ATOM 0 HG LEU A 46 1.728 -21.440 -16.999 1.00 13.54 H new ATOM 0 HD11 LEU A 46 3.635 -21.137 -18.529 1.00 24.32 H new ATOM 0 HD12 LEU A 46 2.077 -20.966 -19.373 1.00 24.32 H new ATOM 0 HD13 LEU A 46 3.028 -19.519 -18.958 1.00 24.32 H new ATOM 0 HD21 LEU A 46 3.845 -20.504 -16.155 1.00 32.43 H new ATOM 0 HD22 LEU A 46 3.246 -18.861 -16.489 1.00 32.43 H new ATOM 0 HD23 LEU A 46 2.440 -19.870 -15.264 1.00 32.43 H new ATOM 731 N LYS A 47 -1.382 -22.041 -16.458 1.00 32.14 N ATOM 732 CA LYS A 47 -2.313 -23.059 -16.931 1.00 73.41 C ATOM 733 C LYS A 47 -3.748 -22.700 -16.554 1.00 25.15 C ATOM 734 O LYS A 47 -4.643 -22.724 -17.397 1.00 30.54 O ATOM 735 CB LYS A 47 -1.947 -24.425 -16.346 1.00 12.14 C ATOM 736 CG LYS A 47 -0.480 -24.783 -16.509 1.00 71.22 C ATOM 737 CD LYS A 47 -0.112 -26.010 -15.692 1.00 44.04 C ATOM 738 CE LYS A 47 0.906 -25.674 -14.612 1.00 52.41 C ATOM 739 NZ LYS A 47 1.092 -26.802 -13.657 1.00 64.34 N1+ ATOM 0 H LYS A 47 -0.768 -22.349 -15.704 1.00 32.14 H new ATOM 0 HA LYS A 47 -2.242 -23.105 -18.018 1.00 73.41 H new ATOM 0 HB2 LYS A 47 -2.199 -24.436 -15.286 1.00 12.14 H new ATOM 0 HB3 LYS A 47 -2.555 -25.191 -16.827 1.00 12.14 H new ATOM 0 HG2 LYS A 47 -0.264 -24.967 -17.561 1.00 71.22 H new ATOM 0 HG3 LYS A 47 0.138 -23.940 -16.200 1.00 71.22 H new ATOM 0 HD2 LYS A 47 -1.009 -26.425 -15.232 1.00 44.04 H new ATOM 0 HD3 LYS A 47 0.294 -26.779 -16.350 1.00 44.04 H new ATOM 0 HE2 LYS A 47 1.861 -25.430 -15.076 1.00 52.41 H new ATOM 0 HE3 LYS A 47 0.580 -24.787 -14.068 1.00 52.41 H new ATOM 0 HZ1 LYS A 47 1.793 -26.535 -12.936 1.00 64.34 H new ATOM 0 HZ2 LYS A 47 0.186 -27.019 -13.195 1.00 64.34 H new ATOM 0 HZ3 LYS A 47 1.428 -27.641 -14.172 1.00 64.34 H new ATOM 753 N GLN A 48 -3.955 -22.369 -15.284 1.00 45.21 N ATOM 754 CA GLN A 48 -5.282 -22.005 -14.798 1.00 10.22 C ATOM 755 C GLN A 48 -5.339 -20.526 -14.430 1.00 4.23 C ATOM 756 O GLN A 48 -6.380 -20.021 -14.006 1.00 2.01 O ATOM 757 CB GLN A 48 -5.655 -22.859 -13.585 1.00 63.24 C ATOM 758 CG GLN A 48 -5.676 -24.352 -13.875 1.00 72.31 C ATOM 759 CD GLN A 48 -6.182 -25.167 -12.702 1.00 33.43 C ATOM 760 OE1 GLN A 48 -7.149 -25.920 -12.825 1.00 25.31 O ATOM 761 NE2 GLN A 48 -5.530 -25.022 -11.554 1.00 43.10 N ATOM 0 H GLN A 48 -3.223 -22.345 -14.574 1.00 45.21 H new ATOM 0 HA GLN A 48 -5.999 -22.190 -15.598 1.00 10.22 H new ATOM 0 HB2 GLN A 48 -4.945 -22.663 -12.781 1.00 63.24 H new ATOM 0 HB3 GLN A 48 -6.637 -22.554 -13.224 1.00 63.24 H new ATOM 0 HG2 GLN A 48 -6.308 -24.541 -14.743 1.00 72.31 H new ATOM 0 HG3 GLN A 48 -4.670 -24.682 -14.135 1.00 72.31 H new ATOM 0 HE21 GLN A 48 -4.734 -24.387 -11.496 1.00 43.10 H new ATOM 0 HE22 GLN A 48 -5.826 -25.546 -10.730 1.00 43.10 H new ATOM 770 N LEU A 49 -4.216 -19.835 -14.595 1.00 40.44 N ATOM 771 CA LEU A 49 -4.139 -18.414 -14.280 1.00 12.54 C ATOM 772 C LEU A 49 -4.450 -18.164 -12.807 1.00 71.02 C ATOM 773 O LEU A 49 -5.569 -17.793 -12.452 1.00 2.15 O ATOM 774 CB LEU A 49 -5.109 -17.623 -15.159 1.00 75.10 C ATOM 775 CG LEU A 49 -4.573 -17.178 -16.521 1.00 14.43 C ATOM 776 CD1 LEU A 49 -3.460 -16.157 -16.348 1.00 31.41 C ATOM 777 CD2 LEU A 49 -4.079 -18.378 -17.316 1.00 22.10 C ATOM 0 H LEU A 49 -3.346 -20.237 -14.945 1.00 40.44 H new ATOM 0 HA LEU A 49 -3.121 -18.078 -14.479 1.00 12.54 H new ATOM 0 HB2 LEU A 49 -5.998 -18.232 -15.323 1.00 75.10 H new ATOM 0 HB3 LEU A 49 -5.426 -16.737 -14.609 1.00 75.10 H new ATOM 0 HG LEU A 49 -5.386 -16.709 -17.075 1.00 14.43 H new ATOM 0 HD11 LEU A 49 -3.091 -15.852 -17.327 1.00 31.41 H new ATOM 0 HD12 LEU A 49 -3.845 -15.286 -15.818 1.00 31.41 H new ATOM 0 HD13 LEU A 49 -2.645 -16.600 -15.775 1.00 31.41 H new ATOM 0 HD21 LEU A 49 -3.701 -18.044 -18.282 1.00 22.10 H new ATOM 0 HD22 LEU A 49 -3.280 -18.875 -16.766 1.00 22.10 H new ATOM 0 HD23 LEU A 49 -4.902 -19.076 -17.470 1.00 22.10 H new ATOM 789 N LYS A 50 -3.452 -18.370 -11.954 1.00 54.03 N ATOM 790 CA LYS A 50 -3.616 -18.164 -10.520 1.00 73.12 C ATOM 791 C LYS A 50 -2.313 -17.685 -9.887 1.00 13.13 C ATOM 792 O LYS A 50 -1.300 -17.528 -10.568 1.00 33.05 O ATOM 793 CB LYS A 50 -4.075 -19.459 -9.848 1.00 23.41 C ATOM 794 CG LYS A 50 -3.108 -20.616 -10.030 1.00 12.24 C ATOM 795 CD LYS A 50 -2.201 -20.779 -8.822 1.00 71.24 C ATOM 796 CE LYS A 50 -2.502 -22.065 -8.068 1.00 14.43 C ATOM 797 NZ LYS A 50 -2.379 -23.263 -8.945 1.00 41.23 N1+ ATOM 0 H LYS A 50 -2.521 -18.680 -12.231 1.00 54.03 H new ATOM 0 HA LYS A 50 -4.375 -17.396 -10.373 1.00 73.12 H new ATOM 0 HB2 LYS A 50 -4.213 -19.276 -8.782 1.00 23.41 H new ATOM 0 HB3 LYS A 50 -5.047 -19.743 -10.251 1.00 23.41 H new ATOM 0 HG2 LYS A 50 -3.668 -21.537 -10.193 1.00 12.24 H new ATOM 0 HG3 LYS A 50 -2.503 -20.449 -10.921 1.00 12.24 H new ATOM 0 HD2 LYS A 50 -1.160 -20.781 -9.145 1.00 71.24 H new ATOM 0 HD3 LYS A 50 -2.326 -19.927 -8.154 1.00 71.24 H new ATOM 0 HE2 LYS A 50 -1.818 -22.160 -7.225 1.00 14.43 H new ATOM 0 HE3 LYS A 50 -3.510 -22.018 -7.657 1.00 14.43 H new ATOM 0 HZ1 LYS A 50 -2.021 -24.065 -8.388 1.00 41.23 H new ATOM 0 HZ2 LYS A 50 -3.312 -23.503 -9.338 1.00 41.23 H new ATOM 0 HZ3 LYS A 50 -1.718 -23.058 -9.722 1.00 41.23 H new ATOM 811 N VAL A 51 -2.347 -17.454 -8.578 1.00 11.01 N ATOM 812 CA VAL A 51 -1.170 -16.995 -7.852 1.00 51.13 C ATOM 813 C VAL A 51 -1.168 -17.519 -6.420 1.00 24.24 C ATOM 814 O VAL A 51 -2.216 -17.619 -5.784 1.00 11.33 O ATOM 815 CB VAL A 51 -1.090 -15.457 -7.825 1.00 74.54 C ATOM 816 CG1 VAL A 51 -2.411 -14.863 -7.362 1.00 60.22 C ATOM 817 CG2 VAL A 51 0.053 -14.998 -6.933 1.00 51.31 C ATOM 0 H VAL A 51 -3.178 -17.578 -7.999 1.00 11.01 H new ATOM 0 HA VAL A 51 -0.301 -17.387 -8.380 1.00 51.13 H new ATOM 0 HB VAL A 51 -0.894 -15.102 -8.837 1.00 74.54 H new ATOM 0 HG11 VAL A 51 -2.336 -13.776 -7.349 1.00 60.22 H new ATOM 0 HG12 VAL A 51 -3.205 -15.164 -8.046 1.00 60.22 H new ATOM 0 HG13 VAL A 51 -2.640 -15.223 -6.359 1.00 60.22 H new ATOM 0 HG21 VAL A 51 0.094 -13.909 -6.926 1.00 51.31 H new ATOM 0 HG22 VAL A 51 -0.109 -15.361 -5.918 1.00 51.31 H new ATOM 0 HG23 VAL A 51 0.994 -15.394 -7.315 1.00 51.31 H new ATOM 827 N ASP A 52 0.017 -17.850 -5.919 1.00 34.02 N ATOM 828 CA ASP A 52 0.156 -18.362 -4.560 1.00 10.05 C ATOM 829 C ASP A 52 1.460 -17.883 -3.930 1.00 41.12 C ATOM 830 O ASP A 52 2.331 -17.346 -4.615 1.00 32.23 O ATOM 831 CB ASP A 52 0.108 -19.891 -4.562 1.00 62.44 C ATOM 832 CG ASP A 52 -0.712 -20.443 -5.711 1.00 53.22 C ATOM 833 OD1 ASP A 52 -1.930 -20.653 -5.525 1.00 40.15 O ATOM 834 OD2 ASP A 52 -0.137 -20.664 -6.797 1.00 41.01 O1- ATOM 0 H ASP A 52 0.895 -17.773 -6.433 1.00 34.02 H new ATOM 0 HA ASP A 52 -0.675 -17.980 -3.967 1.00 10.05 H new ATOM 0 HB2 ASP A 52 1.123 -20.283 -4.623 1.00 62.44 H new ATOM 0 HB3 ASP A 52 -0.313 -20.240 -3.619 1.00 62.44 H new ATOM 839 N GLN A 53 1.586 -18.080 -2.622 1.00 45.12 N ATOM 840 CA GLN A 53 2.783 -17.665 -1.900 1.00 63.05 C ATOM 841 C GLN A 53 3.774 -18.819 -1.781 1.00 31.52 C ATOM 842 O GLN A 53 3.415 -19.980 -1.967 1.00 43.42 O ATOM 843 CB GLN A 53 2.412 -17.151 -0.508 1.00 21.35 C ATOM 844 CG GLN A 53 2.520 -18.207 0.580 1.00 51.34 C ATOM 845 CD GLN A 53 3.912 -18.293 1.174 1.00 13.11 C ATOM 846 OE1 GLN A 53 4.497 -19.374 1.261 1.00 31.44 O ATOM 847 NE2 GLN A 53 4.451 -17.153 1.589 1.00 1.42 N ATOM 0 H GLN A 53 0.875 -18.524 -2.041 1.00 45.12 H new ATOM 0 HA GLN A 53 3.256 -16.860 -2.463 1.00 63.05 H new ATOM 0 HB2 GLN A 53 3.061 -16.313 -0.255 1.00 21.35 H new ATOM 0 HB3 GLN A 53 1.392 -16.768 -0.531 1.00 21.35 H new ATOM 0 HG2 GLN A 53 1.805 -17.982 1.371 1.00 51.34 H new ATOM 0 HG3 GLN A 53 2.245 -19.178 0.168 1.00 51.34 H new ATOM 0 HE21 GLN A 53 3.931 -16.280 1.498 1.00 1.42 H new ATOM 0 HE22 GLN A 53 5.385 -17.150 1.999 1.00 1.42 H new ATOM 856 N GLY A 54 5.025 -18.489 -1.472 1.00 60.23 N ATOM 857 CA GLY A 54 6.048 -19.509 -1.334 1.00 32.11 C ATOM 858 C GLY A 54 6.654 -19.905 -2.666 1.00 61.12 C ATOM 859 O GLY A 54 6.623 -19.133 -3.625 1.00 34.53 O ATOM 0 H GLY A 54 5.348 -17.534 -1.315 1.00 60.23 H new ATOM 0 HA2 GLY A 54 6.835 -19.143 -0.674 1.00 32.11 H new ATOM 0 HA3 GLY A 54 5.617 -20.390 -0.858 1.00 32.11 H new ATOM 863 N VAL A 55 7.209 -21.111 -2.727 1.00 63.32 N ATOM 864 CA VAL A 55 7.827 -21.608 -3.951 1.00 0.23 C ATOM 865 C VAL A 55 7.151 -22.889 -4.426 1.00 31.05 C ATOM 866 O VAL A 55 6.689 -23.697 -3.618 1.00 13.53 O ATOM 867 CB VAL A 55 9.330 -21.878 -3.753 1.00 42.13 C ATOM 868 CG1 VAL A 55 9.546 -22.932 -2.679 1.00 35.12 C ATOM 869 CG2 VAL A 55 9.973 -22.301 -5.065 1.00 61.54 C ATOM 0 H VAL A 55 7.243 -21.762 -1.943 1.00 63.32 H new ATOM 0 HA VAL A 55 7.702 -20.832 -4.706 1.00 0.23 H new ATOM 0 HB VAL A 55 9.807 -20.955 -3.423 1.00 42.13 H new ATOM 0 HG11 VAL A 55 10.614 -23.110 -2.553 1.00 35.12 H new ATOM 0 HG12 VAL A 55 9.122 -22.584 -1.737 1.00 35.12 H new ATOM 0 HG13 VAL A 55 9.057 -23.860 -2.976 1.00 35.12 H new ATOM 0 HG21 VAL A 55 11.035 -22.488 -4.906 1.00 61.54 H new ATOM 0 HG22 VAL A 55 9.495 -23.211 -5.428 1.00 61.54 H new ATOM 0 HG23 VAL A 55 9.850 -21.508 -5.803 1.00 61.54 H new ATOM 879 N PHE A 56 7.095 -23.070 -5.741 1.00 21.01 N ATOM 880 CA PHE A 56 6.474 -24.254 -6.325 1.00 21.13 C ATOM 881 C PHE A 56 7.421 -25.448 -6.267 1.00 72.32 C ATOM 882 O PHE A 56 8.638 -25.286 -6.181 1.00 54.15 O ATOM 883 CB PHE A 56 6.067 -23.981 -7.774 1.00 15.22 C ATOM 884 CG PHE A 56 5.170 -25.036 -8.355 1.00 13.30 C ATOM 885 CD1 PHE A 56 3.977 -25.368 -7.731 1.00 53.50 C ATOM 886 CD2 PHE A 56 5.518 -25.696 -9.521 1.00 11.02 C ATOM 887 CE1 PHE A 56 3.148 -26.339 -8.263 1.00 22.55 C ATOM 888 CE2 PHE A 56 4.693 -26.666 -10.058 1.00 40.34 C ATOM 889 CZ PHE A 56 3.507 -26.989 -9.427 1.00 32.22 C ATOM 0 H PHE A 56 7.472 -22.412 -6.423 1.00 21.01 H new ATOM 0 HA PHE A 56 5.583 -24.490 -5.744 1.00 21.13 H new ATOM 0 HB2 PHE A 56 5.561 -23.017 -7.825 1.00 15.22 H new ATOM 0 HB3 PHE A 56 6.965 -23.902 -8.386 1.00 15.22 H new ATOM 0 HD1 PHE A 56 3.692 -24.863 -6.820 1.00 53.50 H new ATOM 0 HD2 PHE A 56 6.445 -25.450 -10.017 1.00 11.02 H new ATOM 0 HE1 PHE A 56 2.221 -26.588 -7.768 1.00 22.55 H new ATOM 0 HE2 PHE A 56 4.975 -27.171 -10.970 1.00 40.34 H new ATOM 0 HZ PHE A 56 2.862 -27.749 -9.844 1.00 32.22 H new ATOM 899 N ALA A 57 6.853 -26.650 -6.315 1.00 32.10 N ATOM 900 CA ALA A 57 7.646 -27.872 -6.269 1.00 4.40 C ATOM 901 C ALA A 57 8.758 -27.844 -7.313 1.00 45.14 C ATOM 902 O ALA A 57 9.832 -28.407 -7.103 1.00 5.11 O ATOM 903 CB ALA A 57 6.754 -29.087 -6.478 1.00 15.14 C ATOM 0 H ALA A 57 5.847 -26.802 -6.386 1.00 32.10 H new ATOM 0 HA ALA A 57 8.109 -27.939 -5.285 1.00 4.40 H new ATOM 0 HB1 ALA A 57 7.359 -29.993 -6.441 1.00 15.14 H new ATOM 0 HB2 ALA A 57 5.999 -29.123 -5.693 1.00 15.14 H new ATOM 0 HB3 ALA A 57 6.265 -29.016 -7.449 1.00 15.14 H new ATOM 909 N SER A 58 8.493 -27.186 -8.437 1.00 54.32 N ATOM 910 CA SER A 58 9.470 -27.089 -9.515 1.00 12.25 C ATOM 911 C SER A 58 8.926 -26.248 -10.667 1.00 23.03 C ATOM 912 O SER A 58 8.384 -26.765 -11.643 1.00 74.33 O ATOM 913 CB SER A 58 9.844 -28.484 -10.018 1.00 24.15 C ATOM 914 OG SER A 58 11.110 -28.882 -9.521 1.00 63.33 O ATOM 0 H SER A 58 7.610 -26.712 -8.625 1.00 54.32 H new ATOM 0 HA SER A 58 10.362 -26.601 -9.122 1.00 12.25 H new ATOM 0 HB2 SER A 58 9.085 -29.202 -9.707 1.00 24.15 H new ATOM 0 HB3 SER A 58 9.859 -28.489 -11.108 1.00 24.15 H new ATOM 0 HG SER A 58 11.101 -28.853 -8.541 1.00 63.33 H new ATOM 920 N PRO A 59 9.075 -24.921 -10.550 1.00 64.12 N ATOM 921 CA PRO A 59 8.607 -23.980 -11.572 1.00 73.32 C ATOM 922 C PRO A 59 9.430 -24.058 -12.853 1.00 23.22 C ATOM 923 O PRO A 59 10.613 -24.397 -12.823 1.00 4.44 O ATOM 924 CB PRO A 59 8.786 -22.614 -10.904 1.00 61.42 C ATOM 925 CG PRO A 59 9.866 -22.822 -9.900 1.00 4.13 C ATOM 926 CD PRO A 59 9.712 -24.236 -9.413 1.00 10.03 C ATOM 0 HA PRO A 59 7.582 -24.189 -11.880 1.00 73.32 H new ATOM 0 HB2 PRO A 59 9.063 -21.851 -11.631 1.00 61.42 H new ATOM 0 HB3 PRO A 59 7.863 -22.281 -10.429 1.00 61.42 H new ATOM 0 HG2 PRO A 59 10.848 -22.668 -10.346 1.00 4.13 H new ATOM 0 HG3 PRO A 59 9.775 -22.114 -9.077 1.00 4.13 H new ATOM 0 HD2 PRO A 59 10.675 -24.682 -9.163 1.00 10.03 H new ATOM 0 HD3 PRO A 59 9.095 -24.287 -8.516 1.00 10.03 H new ATOM 934 N ASP A 60 8.796 -23.743 -13.977 1.00 20.31 N ATOM 935 CA ASP A 60 9.470 -23.777 -15.271 1.00 71.05 C ATOM 936 C ASP A 60 10.385 -22.567 -15.437 1.00 72.31 C ATOM 937 O ASP A 60 11.273 -22.560 -16.291 1.00 5.43 O ATOM 938 CB ASP A 60 8.444 -23.817 -16.404 1.00 60.31 C ATOM 939 CG ASP A 60 8.906 -24.665 -17.573 1.00 74.41 C ATOM 940 OD1 ASP A 60 8.686 -25.894 -17.538 1.00 62.40 O ATOM 941 OD2 ASP A 60 9.487 -24.099 -18.522 1.00 72.43 O1- ATOM 0 H ASP A 60 7.817 -23.461 -14.019 1.00 20.31 H new ATOM 0 HA ASP A 60 10.079 -24.680 -15.313 1.00 71.05 H new ATOM 0 HB2 ASP A 60 7.502 -24.211 -16.023 1.00 60.31 H new ATOM 0 HB3 ASP A 60 8.249 -22.802 -16.750 1.00 60.31 H new ATOM 946 N VAL A 61 10.161 -21.544 -14.619 1.00 23.13 N ATOM 947 CA VAL A 61 10.964 -20.330 -14.676 1.00 4.42 C ATOM 948 C VAL A 61 11.048 -19.660 -13.308 1.00 2.01 C ATOM 949 O VAL A 61 10.102 -19.708 -12.522 1.00 3.25 O ATOM 950 CB VAL A 61 10.389 -19.323 -15.693 1.00 33.32 C ATOM 951 CG1 VAL A 61 11.172 -18.020 -15.654 1.00 0.55 C ATOM 952 CG2 VAL A 61 10.396 -19.919 -17.092 1.00 33.43 C ATOM 0 H VAL A 61 9.429 -21.532 -13.909 1.00 23.13 H new ATOM 0 HA VAL A 61 11.963 -20.627 -14.994 1.00 4.42 H new ATOM 0 HB VAL A 61 9.356 -19.105 -15.421 1.00 33.32 H new ATOM 0 HG11 VAL A 61 10.752 -17.322 -16.378 1.00 0.55 H new ATOM 0 HG12 VAL A 61 11.110 -17.588 -14.655 1.00 0.55 H new ATOM 0 HG13 VAL A 61 12.216 -18.215 -15.901 1.00 0.55 H new ATOM 0 HG21 VAL A 61 9.987 -19.196 -17.798 1.00 33.43 H new ATOM 0 HG22 VAL A 61 11.419 -20.166 -17.377 1.00 33.43 H new ATOM 0 HG23 VAL A 61 9.787 -20.823 -17.105 1.00 33.43 H new ATOM 962 N THR A 62 12.189 -19.037 -13.029 1.00 50.24 N ATOM 963 CA THR A 62 12.397 -18.359 -11.757 1.00 14.23 C ATOM 964 C THR A 62 12.623 -16.865 -11.960 1.00 31.34 C ATOM 965 O THR A 62 13.672 -16.448 -12.451 1.00 52.43 O ATOM 966 CB THR A 62 13.599 -18.950 -10.996 1.00 64.24 C ATOM 967 OG1 THR A 62 14.180 -20.019 -11.752 1.00 4.13 O ATOM 968 CG2 THR A 62 13.174 -19.463 -9.627 1.00 53.40 C ATOM 0 H THR A 62 12.983 -18.988 -13.668 1.00 50.24 H new ATOM 0 HA THR A 62 11.493 -18.509 -11.167 1.00 14.23 H new ATOM 0 HB THR A 62 14.337 -18.160 -10.858 1.00 64.24 H new ATOM 0 HG1 THR A 62 14.838 -20.491 -11.199 1.00 4.13 H new ATOM 0 HG21 THR A 62 14.039 -19.876 -9.108 1.00 53.40 H new ATOM 0 HG22 THR A 62 12.759 -18.641 -9.043 1.00 53.40 H new ATOM 0 HG23 THR A 62 12.419 -20.240 -9.748 1.00 53.40 H new ATOM 976 N VAL A 63 11.633 -16.063 -11.579 1.00 71.42 N ATOM 977 CA VAL A 63 11.726 -14.616 -11.718 1.00 52.44 C ATOM 978 C VAL A 63 12.323 -13.981 -10.466 1.00 12.25 C ATOM 979 O VAL A 63 11.891 -14.260 -9.348 1.00 15.12 O ATOM 980 CB VAL A 63 10.346 -13.989 -11.989 1.00 74.33 C ATOM 981 CG1 VAL A 63 10.480 -12.497 -12.258 1.00 23.22 C ATOM 982 CG2 VAL A 63 9.663 -14.689 -13.154 1.00 54.53 C ATOM 0 H VAL A 63 10.758 -16.392 -11.172 1.00 71.42 H new ATOM 0 HA VAL A 63 12.379 -14.421 -12.568 1.00 52.44 H new ATOM 0 HB VAL A 63 9.727 -14.120 -11.102 1.00 74.33 H new ATOM 0 HG11 VAL A 63 9.495 -12.071 -12.447 1.00 23.22 H new ATOM 0 HG12 VAL A 63 10.925 -12.009 -11.391 1.00 23.22 H new ATOM 0 HG13 VAL A 63 11.116 -12.340 -13.129 1.00 23.22 H new ATOM 0 HG21 VAL A 63 8.689 -14.233 -13.332 1.00 54.53 H new ATOM 0 HG22 VAL A 63 10.278 -14.591 -14.048 1.00 54.53 H new ATOM 0 HG23 VAL A 63 9.532 -15.745 -12.918 1.00 54.53 H new ATOM 992 N THR A 64 13.320 -13.123 -10.662 1.00 21.22 N ATOM 993 CA THR A 64 13.977 -12.448 -9.551 1.00 44.01 C ATOM 994 C THR A 64 13.898 -10.933 -9.704 1.00 25.10 C ATOM 995 O THR A 64 14.568 -10.349 -10.556 1.00 72.04 O ATOM 996 CB THR A 64 15.455 -12.865 -9.435 1.00 34.33 C ATOM 997 OG1 THR A 64 15.724 -13.965 -10.313 1.00 1.35 O ATOM 998 CG2 THR A 64 15.798 -13.255 -8.006 1.00 73.53 C ATOM 0 H THR A 64 13.690 -12.880 -11.581 1.00 21.22 H new ATOM 0 HA THR A 64 13.451 -12.747 -8.644 1.00 44.01 H new ATOM 0 HB THR A 64 16.073 -12.013 -9.720 1.00 34.33 H new ATOM 0 HG1 THR A 64 16.608 -14.336 -10.111 1.00 1.35 H new ATOM 0 HG21 THR A 64 16.847 -13.546 -7.950 1.00 73.53 H new ATOM 0 HG22 THR A 64 15.621 -12.407 -7.345 1.00 73.53 H new ATOM 0 HG23 THR A 64 15.173 -14.093 -7.697 1.00 73.53 H new ATOM 1006 N VAL A 65 13.077 -10.301 -8.871 1.00 24.10 N ATOM 1007 CA VAL A 65 12.913 -8.853 -8.912 1.00 44.40 C ATOM 1008 C VAL A 65 12.936 -8.257 -7.509 1.00 72.43 C ATOM 1009 O VAL A 65 12.252 -8.740 -6.608 1.00 51.43 O ATOM 1010 CB VAL A 65 11.595 -8.457 -9.605 1.00 33.51 C ATOM 1011 CG1 VAL A 65 10.401 -8.974 -8.817 1.00 53.11 C ATOM 1012 CG2 VAL A 65 11.517 -6.948 -9.778 1.00 61.51 C ATOM 0 H VAL A 65 12.515 -10.769 -8.160 1.00 24.10 H new ATOM 0 HA VAL A 65 13.750 -8.456 -9.486 1.00 44.40 H new ATOM 0 HB VAL A 65 11.573 -8.915 -10.594 1.00 33.51 H new ATOM 0 HG11 VAL A 65 9.479 -8.685 -9.322 1.00 53.11 H new ATOM 0 HG12 VAL A 65 10.452 -10.061 -8.750 1.00 53.11 H new ATOM 0 HG13 VAL A 65 10.415 -8.548 -7.814 1.00 53.11 H new ATOM 0 HG21 VAL A 65 10.580 -6.686 -10.269 1.00 61.51 H new ATOM 0 HG22 VAL A 65 11.562 -6.467 -8.801 1.00 61.51 H new ATOM 0 HG23 VAL A 65 12.354 -6.608 -10.388 1.00 61.51 H new ATOM 1022 N GLY A 66 13.728 -7.204 -7.332 1.00 71.14 N ATOM 1023 CA GLY A 66 13.825 -6.558 -6.036 1.00 41.23 C ATOM 1024 C GLY A 66 12.554 -5.823 -5.657 1.00 23.54 C ATOM 1025 O GLY A 66 11.682 -5.602 -6.499 1.00 73.14 O ATOM 0 H GLY A 66 14.304 -6.787 -8.063 1.00 71.14 H new ATOM 0 HA2 GLY A 66 14.048 -7.307 -5.276 1.00 41.23 H new ATOM 0 HA3 GLY A 66 14.658 -5.855 -6.045 1.00 41.23 H new ATOM 1029 N LEU A 67 12.447 -5.445 -4.389 1.00 13.24 N ATOM 1030 CA LEU A 67 11.272 -4.731 -3.900 1.00 45.22 C ATOM 1031 C LEU A 67 11.066 -3.430 -4.669 1.00 21.23 C ATOM 1032 O LEU A 67 10.050 -3.249 -5.338 1.00 45.23 O ATOM 1033 CB LEU A 67 11.415 -4.437 -2.405 1.00 52.23 C ATOM 1034 CG LEU A 67 10.115 -4.393 -1.602 1.00 43.21 C ATOM 1035 CD1 LEU A 67 9.584 -5.799 -1.369 1.00 15.22 C ATOM 1036 CD2 LEU A 67 10.331 -3.677 -0.277 1.00 21.12 C ATOM 0 H LEU A 67 13.159 -5.621 -3.680 1.00 13.24 H new ATOM 0 HA LEU A 67 10.400 -5.366 -4.057 1.00 45.22 H new ATOM 0 HB2 LEU A 67 12.064 -5.195 -1.967 1.00 52.23 H new ATOM 0 HB3 LEU A 67 11.922 -3.479 -2.290 1.00 52.23 H new ATOM 0 HG LEU A 67 9.374 -3.837 -2.176 1.00 43.21 H new ATOM 0 HD11 LEU A 67 8.658 -5.748 -0.796 1.00 15.22 H new ATOM 0 HD12 LEU A 67 9.391 -6.279 -2.329 1.00 15.22 H new ATOM 0 HD13 LEU A 67 10.322 -6.380 -0.815 1.00 15.22 H new ATOM 0 HD21 LEU A 67 9.395 -3.655 0.281 1.00 21.12 H new ATOM 0 HD22 LEU A 67 11.087 -4.206 0.303 1.00 21.12 H new ATOM 0 HD23 LEU A 67 10.665 -2.657 -0.465 1.00 21.12 H new ATOM 1048 N GLU A 68 12.038 -2.529 -4.568 1.00 23.10 N ATOM 1049 CA GLU A 68 11.963 -1.245 -5.255 1.00 24.34 C ATOM 1050 C GLU A 68 11.652 -1.439 -6.737 1.00 61.31 C ATOM 1051 O GLU A 68 10.845 -0.710 -7.313 1.00 21.23 O ATOM 1052 CB GLU A 68 13.277 -0.478 -5.095 1.00 2.03 C ATOM 1053 CG GLU A 68 13.755 -0.383 -3.656 1.00 62.33 C ATOM 1054 CD GLU A 68 14.585 0.859 -3.397 1.00 54.24 C ATOM 1055 OE1 GLU A 68 15.342 1.265 -4.304 1.00 72.13 O ATOM 1056 OE2 GLU A 68 14.479 1.424 -2.290 1.00 60.41 O1- ATOM 0 H GLU A 68 12.886 -2.664 -4.018 1.00 23.10 H new ATOM 0 HA GLU A 68 11.156 -0.667 -4.804 1.00 24.34 H new ATOM 0 HB2 GLU A 68 14.047 -0.965 -5.693 1.00 2.03 H new ATOM 0 HB3 GLU A 68 13.151 0.528 -5.494 1.00 2.03 H new ATOM 0 HG2 GLU A 68 12.892 -0.384 -2.990 1.00 62.33 H new ATOM 0 HG3 GLU A 68 14.345 -1.267 -3.414 1.00 62.33 H new ATOM 1063 N ASP A 69 12.298 -2.427 -7.347 1.00 20.45 N ATOM 1064 CA ASP A 69 12.091 -2.717 -8.760 1.00 42.22 C ATOM 1065 C ASP A 69 10.607 -2.896 -9.067 1.00 43.43 C ATOM 1066 O ASP A 69 10.075 -2.274 -9.986 1.00 14.14 O ATOM 1067 CB ASP A 69 12.862 -3.976 -9.162 1.00 71.20 C ATOM 1068 CG ASP A 69 14.359 -3.815 -8.996 1.00 61.35 C ATOM 1069 OD1 ASP A 69 14.833 -2.661 -8.968 1.00 51.33 O ATOM 1070 OD2 ASP A 69 15.059 -4.845 -8.893 1.00 23.21 O1- ATOM 0 H ASP A 69 12.969 -3.040 -6.884 1.00 20.45 H new ATOM 0 HA ASP A 69 12.464 -1.871 -9.337 1.00 42.22 H new ATOM 0 HB2 ASP A 69 12.521 -4.816 -8.557 1.00 71.20 H new ATOM 0 HB3 ASP A 69 12.639 -4.219 -10.201 1.00 71.20 H new ATOM 1075 N MET A 70 9.945 -3.748 -8.292 1.00 54.02 N ATOM 1076 CA MET A 70 8.524 -4.007 -8.481 1.00 40.11 C ATOM 1077 C MET A 70 7.704 -2.743 -8.242 1.00 33.44 C ATOM 1078 O MET A 70 6.896 -2.346 -9.083 1.00 2.01 O ATOM 1079 CB MET A 70 8.055 -5.118 -7.539 1.00 64.44 C ATOM 1080 CG MET A 70 8.215 -6.514 -8.118 1.00 53.12 C ATOM 1081 SD MET A 70 7.030 -7.689 -7.434 1.00 44.35 S ATOM 1082 CE MET A 70 6.464 -8.505 -8.925 1.00 74.02 C ATOM 0 H MET A 70 10.371 -4.271 -7.527 1.00 54.02 H new ATOM 0 HA MET A 70 8.374 -4.327 -9.512 1.00 40.11 H new ATOM 0 HB2 MET A 70 8.616 -5.054 -6.607 1.00 64.44 H new ATOM 0 HB3 MET A 70 7.006 -4.954 -7.291 1.00 64.44 H new ATOM 0 HG2 MET A 70 8.094 -6.470 -9.200 1.00 53.12 H new ATOM 0 HG3 MET A 70 9.227 -6.870 -7.924 1.00 53.12 H new ATOM 0 HE1 MET A 70 5.834 -9.354 -8.659 1.00 74.02 H new ATOM 0 HE2 MET A 70 5.890 -7.802 -9.529 1.00 74.02 H new ATOM 0 HE3 MET A 70 7.323 -8.856 -9.496 1.00 74.02 H new ATOM 1092 N LEU A 71 7.917 -2.113 -7.092 1.00 4.41 N ATOM 1093 CA LEU A 71 7.198 -0.893 -6.742 1.00 52.32 C ATOM 1094 C LEU A 71 7.282 0.129 -7.871 1.00 50.24 C ATOM 1095 O LEU A 71 6.312 0.832 -8.158 1.00 51.41 O ATOM 1096 CB LEU A 71 7.764 -0.296 -5.454 1.00 73.33 C ATOM 1097 CG LEU A 71 7.832 -1.237 -4.250 1.00 72.22 C ATOM 1098 CD1 LEU A 71 8.852 -0.737 -3.239 1.00 1.03 C ATOM 1099 CD2 LEU A 71 6.462 -1.377 -3.604 1.00 30.51 C ATOM 0 H LEU A 71 8.582 -2.427 -6.386 1.00 4.41 H new ATOM 0 HA LEU A 71 6.150 -1.149 -6.585 1.00 52.32 H new ATOM 0 HB2 LEU A 71 8.769 0.072 -5.659 1.00 73.33 H new ATOM 0 HB3 LEU A 71 7.158 0.568 -5.181 1.00 73.33 H new ATOM 0 HG LEU A 71 8.149 -2.220 -4.599 1.00 72.22 H new ATOM 0 HD11 LEU A 71 8.887 -1.419 -2.389 1.00 1.03 H new ATOM 0 HD12 LEU A 71 9.835 -0.690 -3.707 1.00 1.03 H new ATOM 0 HD13 LEU A 71 8.566 0.257 -2.895 1.00 1.03 H new ATOM 0 HD21 LEU A 71 6.530 -2.050 -2.749 1.00 30.51 H new ATOM 0 HD22 LEU A 71 6.116 -0.399 -3.269 1.00 30.51 H new ATOM 0 HD23 LEU A 71 5.757 -1.782 -4.330 1.00 30.51 H new ATOM 1111 N ALA A 72 8.445 0.208 -8.507 1.00 72.12 N ATOM 1112 CA ALA A 72 8.654 1.142 -9.606 1.00 10.33 C ATOM 1113 C ALA A 72 7.657 0.894 -10.733 1.00 3.31 C ATOM 1114 O ALA A 72 7.160 1.837 -11.351 1.00 20.22 O ATOM 1115 CB ALA A 72 10.080 1.034 -10.127 1.00 1.25 C ATOM 0 H ALA A 72 9.258 -0.364 -8.280 1.00 72.12 H new ATOM 0 HA ALA A 72 8.493 2.152 -9.228 1.00 10.33 H new ATOM 0 HB1 ALA A 72 10.222 1.737 -10.948 1.00 1.25 H new ATOM 0 HB2 ALA A 72 10.779 1.267 -9.324 1.00 1.25 H new ATOM 0 HB3 ALA A 72 10.262 0.020 -10.483 1.00 1.25 H new ATOM 1121 N ILE A 73 7.370 -0.376 -10.995 1.00 10.35 N ATOM 1122 CA ILE A 73 6.431 -0.746 -12.047 1.00 70.44 C ATOM 1123 C ILE A 73 4.999 -0.409 -11.649 1.00 3.41 C ATOM 1124 O ILE A 73 4.335 0.398 -12.300 1.00 51.33 O ATOM 1125 CB ILE A 73 6.521 -2.246 -12.380 1.00 2.34 C ATOM 1126 CG1 ILE A 73 7.984 -2.682 -12.480 1.00 5.34 C ATOM 1127 CG2 ILE A 73 5.784 -2.546 -13.677 1.00 52.42 C ATOM 1128 CD1 ILE A 73 8.159 -4.107 -12.956 1.00 20.44 C ATOM 0 H ILE A 73 7.774 -1.167 -10.493 1.00 10.35 H new ATOM 0 HA ILE A 73 6.704 -0.170 -12.931 1.00 70.44 H new ATOM 0 HB ILE A 73 6.047 -2.810 -11.577 1.00 2.34 H new ATOM 0 HG12 ILE A 73 8.508 -2.013 -13.162 1.00 5.34 H new ATOM 0 HG13 ILE A 73 8.455 -2.574 -11.503 1.00 5.34 H new ATOM 0 HG21 ILE A 73 5.857 -3.611 -13.899 1.00 52.42 H new ATOM 0 HG22 ILE A 73 4.735 -2.268 -13.572 1.00 52.42 H new ATOM 0 HG23 ILE A 73 6.231 -1.974 -14.490 1.00 52.42 H new ATOM 0 HD11 ILE A 73 9.221 -4.347 -13.003 1.00 20.44 H new ATOM 0 HD12 ILE A 73 7.664 -4.786 -12.262 1.00 20.44 H new ATOM 0 HD13 ILE A 73 7.718 -4.216 -13.947 1.00 20.44 H new ATOM 1140 N SER A 74 4.527 -1.033 -10.573 1.00 34.22 N ATOM 1141 CA SER A 74 3.172 -0.801 -10.088 1.00 34.44 C ATOM 1142 C SER A 74 2.928 0.685 -9.844 1.00 12.00 C ATOM 1143 O SER A 74 1.809 1.174 -9.985 1.00 4.54 O ATOM 1144 CB SER A 74 2.927 -1.589 -8.801 1.00 32.15 C ATOM 1145 OG SER A 74 2.155 -0.835 -7.881 1.00 43.53 O ATOM 0 H SER A 74 5.063 -1.703 -10.021 1.00 34.22 H new ATOM 0 HA SER A 74 2.475 -1.143 -10.853 1.00 34.44 H new ATOM 0 HB2 SER A 74 2.413 -2.521 -9.034 1.00 32.15 H new ATOM 0 HB3 SER A 74 3.881 -1.856 -8.347 1.00 32.15 H new ATOM 0 HG SER A 74 2.011 -1.361 -7.067 1.00 43.53 H new ATOM 1151 N GLY A 75 3.987 1.399 -9.475 1.00 30.23 N ATOM 1152 CA GLY A 75 3.870 2.822 -9.216 1.00 71.54 C ATOM 1153 C GLY A 75 3.711 3.631 -10.487 1.00 52.41 C ATOM 1154 O GLY A 75 3.556 4.852 -10.440 1.00 72.55 O ATOM 0 H GLY A 75 4.925 1.017 -9.351 1.00 30.23 H new ATOM 0 HA2 GLY A 75 3.014 3.001 -8.566 1.00 71.54 H new ATOM 0 HA3 GLY A 75 4.755 3.164 -8.679 1.00 71.54 H new ATOM 1158 N LYS A 76 3.750 2.952 -11.628 1.00 72.22 N ATOM 1159 CA LYS A 76 3.611 3.615 -12.919 1.00 63.32 C ATOM 1160 C LYS A 76 4.821 4.496 -13.212 1.00 4.25 C ATOM 1161 O LYS A 76 4.833 5.248 -14.188 1.00 51.51 O ATOM 1162 CB LYS A 76 2.334 4.458 -12.947 1.00 43.21 C ATOM 1163 CG LYS A 76 2.591 5.953 -12.881 1.00 10.13 C ATOM 1164 CD LYS A 76 1.366 6.710 -12.394 1.00 41.34 C ATOM 1165 CE LYS A 76 1.665 8.188 -12.197 1.00 40.22 C ATOM 1166 NZ LYS A 76 0.423 8.980 -11.980 1.00 53.25 N1+ ATOM 0 H LYS A 76 3.877 1.942 -11.685 1.00 72.22 H new ATOM 0 HA LYS A 76 3.549 2.846 -13.689 1.00 63.32 H new ATOM 0 HB2 LYS A 76 1.780 4.233 -13.858 1.00 43.21 H new ATOM 0 HB3 LYS A 76 1.700 4.169 -12.109 1.00 43.21 H new ATOM 0 HG2 LYS A 76 3.430 6.149 -12.214 1.00 10.13 H new ATOM 0 HG3 LYS A 76 2.876 6.318 -13.868 1.00 10.13 H new ATOM 0 HD2 LYS A 76 0.556 6.595 -13.114 1.00 41.34 H new ATOM 0 HD3 LYS A 76 1.021 6.279 -11.454 1.00 41.34 H new ATOM 0 HE2 LYS A 76 2.330 8.313 -11.342 1.00 40.22 H new ATOM 0 HE3 LYS A 76 2.193 8.572 -13.070 1.00 40.22 H new ATOM 0 HZ1 LYS A 76 0.669 9.982 -11.850 1.00 53.25 H new ATOM 0 HZ2 LYS A 76 -0.201 8.881 -12.806 1.00 53.25 H new ATOM 0 HZ3 LYS A 76 -0.068 8.631 -11.132 1.00 53.25 H new ATOM 1180 N THR A 77 5.839 4.397 -12.363 1.00 13.43 N ATOM 1181 CA THR A 77 7.054 5.185 -12.531 1.00 43.43 C ATOM 1182 C THR A 77 7.985 4.547 -13.557 1.00 63.21 C ATOM 1183 O THR A 77 8.611 5.241 -14.359 1.00 21.54 O ATOM 1184 CB THR A 77 7.809 5.345 -11.199 1.00 71.41 C ATOM 1185 OG1 THR A 77 8.431 4.106 -10.836 1.00 24.34 O ATOM 1186 CG2 THR A 77 6.864 5.787 -10.092 1.00 61.23 C ATOM 0 H THR A 77 5.846 3.779 -11.552 1.00 13.43 H new ATOM 0 HA THR A 77 6.746 6.169 -12.885 1.00 43.43 H new ATOM 0 HB THR A 77 8.574 6.110 -11.330 1.00 71.41 H new ATOM 0 HG1 THR A 77 7.766 3.387 -10.860 1.00 24.34 H new ATOM 0 HG21 THR A 77 7.420 5.893 -9.160 1.00 61.23 H new ATOM 0 HG22 THR A 77 6.414 6.744 -10.358 1.00 61.23 H new ATOM 0 HG23 THR A 77 6.080 5.041 -9.964 1.00 61.23 H new ATOM 1194 N LEU A 78 8.072 3.222 -13.525 1.00 61.23 N ATOM 1195 CA LEU A 78 8.927 2.490 -14.453 1.00 64.41 C ATOM 1196 C LEU A 78 8.142 1.393 -15.167 1.00 4.21 C ATOM 1197 O LEU A 78 7.007 1.088 -14.801 1.00 64.35 O ATOM 1198 CB LEU A 78 10.116 1.879 -13.708 1.00 40.00 C ATOM 1199 CG LEU A 78 11.398 1.702 -14.522 1.00 14.14 C ATOM 1200 CD1 LEU A 78 12.588 2.286 -13.776 1.00 21.42 C ATOM 1201 CD2 LEU A 78 11.633 0.232 -14.835 1.00 52.03 C ATOM 0 H LEU A 78 7.562 2.633 -12.867 1.00 61.23 H new ATOM 0 HA LEU A 78 9.296 3.193 -15.200 1.00 64.41 H new ATOM 0 HB2 LEU A 78 10.341 2.507 -12.846 1.00 40.00 H new ATOM 0 HB3 LEU A 78 9.816 0.904 -13.323 1.00 40.00 H new ATOM 0 HG LEU A 78 11.285 2.240 -15.463 1.00 14.14 H new ATOM 0 HD11 LEU A 78 13.492 2.151 -14.370 1.00 21.42 H new ATOM 0 HD12 LEU A 78 12.423 3.349 -13.603 1.00 21.42 H new ATOM 0 HD13 LEU A 78 12.703 1.777 -12.819 1.00 21.42 H new ATOM 0 HD21 LEU A 78 12.550 0.126 -15.415 1.00 52.03 H new ATOM 0 HD22 LEU A 78 11.725 -0.328 -13.904 1.00 52.03 H new ATOM 0 HD23 LEU A 78 10.793 -0.156 -15.410 1.00 52.03 H new ATOM 1213 N THR A 79 8.757 0.801 -16.187 1.00 53.44 N ATOM 1214 CA THR A 79 8.117 -0.262 -16.951 1.00 2.24 C ATOM 1215 C THR A 79 9.026 -1.480 -17.066 1.00 31.21 C ATOM 1216 O THR A 79 10.251 -1.361 -17.019 1.00 53.42 O ATOM 1217 CB THR A 79 7.736 0.215 -18.366 1.00 73.11 C ATOM 1218 OG1 THR A 79 8.913 0.350 -19.171 1.00 25.35 O ATOM 1219 CG2 THR A 79 6.999 1.544 -18.308 1.00 71.32 C ATOM 0 H THR A 79 9.697 1.040 -16.502 1.00 53.44 H new ATOM 0 HA THR A 79 7.211 -0.538 -16.412 1.00 2.24 H new ATOM 0 HB THR A 79 7.076 -0.529 -18.812 1.00 73.11 H new ATOM 0 HG1 THR A 79 8.662 0.652 -20.069 1.00 25.35 H new ATOM 0 HG21 THR A 79 6.740 1.861 -19.318 1.00 71.32 H new ATOM 0 HG22 THR A 79 6.089 1.430 -17.719 1.00 71.32 H new ATOM 0 HG23 THR A 79 7.639 2.295 -17.845 1.00 71.32 H new ATOM 1227 N VAL A 80 8.419 -2.653 -17.216 1.00 5.33 N ATOM 1228 CA VAL A 80 9.175 -3.894 -17.339 1.00 10.20 C ATOM 1229 C VAL A 80 10.263 -3.773 -18.400 1.00 63.11 C ATOM 1230 O VAL A 80 11.371 -4.277 -18.227 1.00 72.02 O ATOM 1231 CB VAL A 80 8.256 -5.078 -17.696 1.00 1.42 C ATOM 1232 CG1 VAL A 80 9.067 -6.354 -17.860 1.00 32.31 C ATOM 1233 CG2 VAL A 80 7.178 -5.254 -16.636 1.00 54.23 C ATOM 0 H VAL A 80 7.406 -2.770 -17.255 1.00 5.33 H new ATOM 0 HA VAL A 80 9.636 -4.080 -16.369 1.00 10.20 H new ATOM 0 HB VAL A 80 7.768 -4.862 -18.646 1.00 1.42 H new ATOM 0 HG11 VAL A 80 8.401 -7.179 -18.112 1.00 32.31 H new ATOM 0 HG12 VAL A 80 9.797 -6.221 -18.658 1.00 32.31 H new ATOM 0 HG13 VAL A 80 9.585 -6.578 -16.928 1.00 32.31 H new ATOM 0 HG21 VAL A 80 6.538 -6.095 -16.904 1.00 54.23 H new ATOM 0 HG22 VAL A 80 7.645 -5.447 -15.670 1.00 54.23 H new ATOM 0 HG23 VAL A 80 6.578 -4.346 -16.573 1.00 54.23 H new ATOM 1243 N GLY A 81 9.939 -3.098 -19.498 1.00 1.42 N ATOM 1244 CA GLY A 81 10.900 -2.921 -20.572 1.00 4.53 C ATOM 1245 C GLY A 81 12.215 -2.349 -20.082 1.00 72.43 C ATOM 1246 O GLY A 81 13.282 -2.890 -20.375 1.00 54.32 O ATOM 0 H GLY A 81 9.028 -2.670 -19.664 1.00 1.42 H new ATOM 0 HA2 GLY A 81 11.082 -3.881 -21.055 1.00 4.53 H new ATOM 0 HA3 GLY A 81 10.478 -2.259 -21.328 1.00 4.53 H new ATOM 1250 N ASP A 82 12.141 -1.251 -19.338 1.00 14.13 N ATOM 1251 CA ASP A 82 13.335 -0.605 -18.809 1.00 21.43 C ATOM 1252 C ASP A 82 14.047 -1.512 -17.810 1.00 23.42 C ATOM 1253 O ASP A 82 15.243 -1.776 -17.938 1.00 72.21 O ATOM 1254 CB ASP A 82 12.970 0.722 -18.140 1.00 22.14 C ATOM 1255 CG ASP A 82 13.391 1.921 -18.966 1.00 13.02 C ATOM 1256 OD1 ASP A 82 12.501 2.662 -19.434 1.00 14.15 O ATOM 1257 OD2 ASP A 82 14.611 2.121 -19.142 1.00 41.32 O1- ATOM 0 H ASP A 82 11.266 -0.790 -19.088 1.00 14.13 H new ATOM 0 HA ASP A 82 14.011 -0.410 -19.642 1.00 21.43 H new ATOM 0 HB2 ASP A 82 11.893 0.758 -17.975 1.00 22.14 H new ATOM 0 HB3 ASP A 82 13.445 0.774 -17.160 1.00 22.14 H new ATOM 1262 N ALA A 83 13.305 -1.986 -16.815 1.00 45.42 N ATOM 1263 CA ALA A 83 13.865 -2.864 -15.795 1.00 21.54 C ATOM 1264 C ALA A 83 14.565 -4.063 -16.427 1.00 74.42 C ATOM 1265 O ALA A 83 15.573 -4.549 -15.913 1.00 71.11 O ATOM 1266 CB ALA A 83 12.774 -3.330 -14.842 1.00 12.34 C ATOM 0 H ALA A 83 12.314 -1.777 -16.693 1.00 45.42 H new ATOM 0 HA ALA A 83 14.607 -2.298 -15.232 1.00 21.54 H new ATOM 0 HB1 ALA A 83 13.207 -3.985 -14.086 1.00 12.34 H new ATOM 0 HB2 ALA A 83 12.321 -2.465 -14.357 1.00 12.34 H new ATOM 0 HB3 ALA A 83 12.012 -3.874 -15.400 1.00 12.34 H new ATOM 1272 N LEU A 84 14.023 -4.536 -17.544 1.00 41.30 N ATOM 1273 CA LEU A 84 14.595 -5.680 -18.247 1.00 72.41 C ATOM 1274 C LEU A 84 16.032 -5.395 -18.671 1.00 23.24 C ATOM 1275 O LEU A 84 16.940 -6.176 -18.391 1.00 61.34 O ATOM 1276 CB LEU A 84 13.748 -6.026 -19.473 1.00 54.12 C ATOM 1277 CG LEU A 84 13.213 -7.457 -19.536 1.00 10.02 C ATOM 1278 CD1 LEU A 84 14.353 -8.444 -19.744 1.00 35.23 C ATOM 1279 CD2 LEU A 84 12.438 -7.795 -18.272 1.00 24.15 C ATOM 0 H LEU A 84 13.189 -4.146 -17.982 1.00 41.30 H new ATOM 0 HA LEU A 84 14.599 -6.530 -17.565 1.00 72.41 H new ATOM 0 HB2 LEU A 84 12.901 -5.341 -19.510 1.00 54.12 H new ATOM 0 HB3 LEU A 84 14.345 -5.843 -20.366 1.00 54.12 H new ATOM 0 HG LEU A 84 12.533 -7.532 -20.385 1.00 10.02 H new ATOM 0 HD11 LEU A 84 13.954 -9.457 -19.786 1.00 35.23 H new ATOM 0 HD12 LEU A 84 14.865 -8.216 -20.679 1.00 35.23 H new ATOM 0 HD13 LEU A 84 15.057 -8.366 -18.916 1.00 35.23 H new ATOM 0 HD21 LEU A 84 12.065 -8.817 -18.336 1.00 24.15 H new ATOM 0 HD22 LEU A 84 13.094 -7.702 -17.407 1.00 24.15 H new ATOM 0 HD23 LEU A 84 11.598 -7.109 -18.166 1.00 24.15 H new ATOM 1291 N LYS A 85 16.231 -4.268 -19.347 1.00 13.23 N ATOM 1292 CA LYS A 85 17.558 -3.877 -19.808 1.00 53.44 C ATOM 1293 C LYS A 85 18.497 -3.645 -18.629 1.00 73.11 C ATOM 1294 O LYS A 85 19.629 -4.130 -18.622 1.00 1.12 O ATOM 1295 CB LYS A 85 17.470 -2.609 -20.660 1.00 25.42 C ATOM 1296 CG LYS A 85 18.129 -2.744 -22.022 1.00 52.24 C ATOM 1297 CD LYS A 85 19.630 -2.531 -21.940 1.00 12.13 C ATOM 1298 CE LYS A 85 20.282 -2.622 -23.312 1.00 30.01 C ATOM 1299 NZ LYS A 85 20.712 -1.287 -23.811 1.00 0.02 N1+ ATOM 0 H LYS A 85 15.490 -3.610 -19.588 1.00 13.23 H new ATOM 0 HA LYS A 85 17.959 -4.689 -20.415 1.00 53.44 H new ATOM 0 HB2 LYS A 85 16.421 -2.346 -20.798 1.00 25.42 H new ATOM 0 HB3 LYS A 85 17.937 -1.785 -20.120 1.00 25.42 H new ATOM 0 HG2 LYS A 85 17.923 -3.734 -22.430 1.00 52.24 H new ATOM 0 HG3 LYS A 85 17.695 -2.019 -22.710 1.00 52.24 H new ATOM 0 HD2 LYS A 85 19.837 -1.555 -21.502 1.00 12.13 H new ATOM 0 HD3 LYS A 85 20.069 -3.277 -21.277 1.00 12.13 H new ATOM 0 HE2 LYS A 85 21.145 -3.286 -23.261 1.00 30.01 H new ATOM 0 HE3 LYS A 85 19.581 -3.065 -24.019 1.00 30.01 H new ATOM 0 HZ1 LYS A 85 21.151 -1.392 -24.748 1.00 0.02 H new ATOM 0 HZ2 LYS A 85 19.885 -0.661 -23.884 1.00 0.02 H new ATOM 0 HZ3 LYS A 85 21.401 -0.875 -23.150 1.00 0.02 H new ATOM 1313 N GLN A 86 18.020 -2.904 -17.635 1.00 11.43 N ATOM 1314 CA GLN A 86 18.819 -2.610 -16.450 1.00 53.23 C ATOM 1315 C GLN A 86 19.289 -3.896 -15.778 1.00 21.22 C ATOM 1316 O GLN A 86 20.299 -3.908 -15.076 1.00 41.42 O ATOM 1317 CB GLN A 86 18.010 -1.769 -15.460 1.00 12.42 C ATOM 1318 CG GLN A 86 17.520 -0.452 -16.040 1.00 73.05 C ATOM 1319 CD GLN A 86 17.429 0.646 -14.999 1.00 42.21 C ATOM 1320 OE1 GLN A 86 18.321 1.489 -14.891 1.00 72.11 O ATOM 1321 NE2 GLN A 86 16.350 0.642 -14.225 1.00 61.43 N ATOM 0 H GLN A 86 17.085 -2.496 -17.626 1.00 11.43 H new ATOM 0 HA GLN A 86 19.696 -2.045 -16.765 1.00 53.23 H new ATOM 0 HB2 GLN A 86 17.152 -2.349 -15.120 1.00 12.42 H new ATOM 0 HB3 GLN A 86 18.624 -1.564 -14.583 1.00 12.42 H new ATOM 0 HG2 GLN A 86 18.194 -0.137 -16.837 1.00 73.05 H new ATOM 0 HG3 GLN A 86 16.539 -0.601 -16.492 1.00 73.05 H new ATOM 0 HE21 GLN A 86 15.636 -0.076 -14.349 1.00 61.43 H new ATOM 0 HE22 GLN A 86 16.235 1.356 -13.506 1.00 61.43 H new ATOM 1330 N GLY A 87 18.548 -4.978 -15.998 1.00 0.43 N ATOM 1331 CA GLY A 87 18.904 -6.254 -15.405 1.00 2.32 C ATOM 1332 C GLY A 87 18.328 -6.429 -14.015 1.00 44.42 C ATOM 1333 O GLY A 87 18.877 -7.165 -13.195 1.00 32.22 O ATOM 0 H GLY A 87 17.708 -4.994 -16.576 1.00 0.43 H new ATOM 0 HA2 GLY A 87 18.549 -7.061 -16.046 1.00 2.32 H new ATOM 0 HA3 GLY A 87 19.990 -6.339 -15.358 1.00 2.32 H new ATOM 1337 N LYS A 88 17.218 -5.751 -13.746 1.00 21.33 N ATOM 1338 CA LYS A 88 16.566 -5.834 -12.445 1.00 11.34 C ATOM 1339 C LYS A 88 15.789 -7.140 -12.307 1.00 1.12 C ATOM 1340 O LYS A 88 15.699 -7.706 -11.219 1.00 61.44 O ATOM 1341 CB LYS A 88 15.623 -4.645 -12.248 1.00 75.34 C ATOM 1342 CG LYS A 88 16.306 -3.296 -12.392 1.00 24.51 C ATOM 1343 CD LYS A 88 16.890 -2.823 -11.072 1.00 73.13 C ATOM 1344 CE LYS A 88 18.411 -2.790 -11.115 1.00 11.13 C ATOM 1345 NZ LYS A 88 18.973 -1.826 -10.130 1.00 30.44 N1+ ATOM 0 H LYS A 88 16.750 -5.137 -14.413 1.00 21.33 H new ATOM 0 HA LYS A 88 17.339 -5.809 -11.677 1.00 11.34 H new ATOM 0 HB2 LYS A 88 14.812 -4.711 -12.973 1.00 75.34 H new ATOM 0 HB3 LYS A 88 15.172 -4.710 -11.258 1.00 75.34 H new ATOM 0 HG2 LYS A 88 17.098 -3.366 -13.137 1.00 24.51 H new ATOM 0 HG3 LYS A 88 15.589 -2.561 -12.758 1.00 24.51 H new ATOM 0 HD2 LYS A 88 16.510 -1.828 -10.840 1.00 73.13 H new ATOM 0 HD3 LYS A 88 16.562 -3.484 -10.270 1.00 73.13 H new ATOM 0 HE2 LYS A 88 18.802 -3.787 -10.911 1.00 11.13 H new ATOM 0 HE3 LYS A 88 18.740 -2.518 -12.118 1.00 11.13 H new ATOM 0 HZ1 LYS A 88 20.011 -1.833 -10.191 1.00 30.44 H new ATOM 0 HZ2 LYS A 88 18.621 -0.870 -10.340 1.00 30.44 H new ATOM 0 HZ3 LYS A 88 18.680 -2.100 -9.170 1.00 30.44 H new ATOM 1359 N ILE A 89 15.233 -7.611 -13.419 1.00 4.34 N ATOM 1360 CA ILE A 89 14.467 -8.852 -13.421 1.00 61.10 C ATOM 1361 C ILE A 89 15.310 -10.017 -13.930 1.00 40.34 C ATOM 1362 O ILE A 89 15.717 -10.040 -15.090 1.00 73.31 O ATOM 1363 CB ILE A 89 13.202 -8.730 -14.291 1.00 34.53 C ATOM 1364 CG1 ILE A 89 12.543 -7.365 -14.083 1.00 63.53 C ATOM 1365 CG2 ILE A 89 12.226 -9.851 -13.966 1.00 22.12 C ATOM 1366 CD1 ILE A 89 11.347 -7.129 -14.977 1.00 63.11 C ATOM 0 H ILE A 89 15.298 -7.153 -14.328 1.00 4.34 H new ATOM 0 HA ILE A 89 14.172 -9.043 -12.389 1.00 61.10 H new ATOM 0 HB ILE A 89 13.489 -8.817 -15.339 1.00 34.53 H new ATOM 0 HG12 ILE A 89 12.232 -7.276 -13.042 1.00 63.53 H new ATOM 0 HG13 ILE A 89 13.281 -6.583 -14.263 1.00 63.53 H new ATOM 0 HG21 ILE A 89 11.337 -9.751 -14.589 1.00 22.12 H new ATOM 0 HG22 ILE A 89 12.699 -10.813 -14.161 1.00 22.12 H new ATOM 0 HG23 ILE A 89 11.941 -9.792 -12.915 1.00 22.12 H new ATOM 0 HD11 ILE A 89 10.931 -6.142 -14.775 1.00 63.11 H new ATOM 0 HD12 ILE A 89 11.656 -7.186 -16.021 1.00 63.11 H new ATOM 0 HD13 ILE A 89 10.591 -7.889 -14.781 1.00 63.11 H new ATOM 1378 N GLU A 90 15.566 -10.981 -13.052 1.00 44.31 N ATOM 1379 CA GLU A 90 16.359 -12.151 -13.413 1.00 3.44 C ATOM 1380 C GLU A 90 15.459 -13.333 -13.762 1.00 63.21 C ATOM 1381 O GLU A 90 14.371 -13.485 -13.205 1.00 12.42 O ATOM 1382 CB GLU A 90 17.298 -12.531 -12.267 1.00 21.54 C ATOM 1383 CG GLU A 90 18.765 -12.274 -12.569 1.00 21.32 C ATOM 1384 CD GLU A 90 19.616 -13.520 -12.434 1.00 53.14 C ATOM 1385 OE1 GLU A 90 19.350 -14.502 -13.159 1.00 2.24 O ATOM 1386 OE2 GLU A 90 20.550 -13.515 -11.605 1.00 73.11 O1- ATOM 0 H GLU A 90 15.237 -10.976 -12.087 1.00 44.31 H new ATOM 0 HA GLU A 90 16.953 -11.898 -14.291 1.00 3.44 H new ATOM 0 HB2 GLU A 90 17.016 -11.970 -11.376 1.00 21.54 H new ATOM 0 HB3 GLU A 90 17.164 -13.587 -12.034 1.00 21.54 H new ATOM 0 HG2 GLU A 90 18.860 -11.882 -13.582 1.00 21.32 H new ATOM 0 HG3 GLU A 90 19.142 -11.506 -11.893 1.00 21.32 H new ATOM 1393 N LEU A 91 15.920 -14.167 -14.687 1.00 41.35 N ATOM 1394 CA LEU A 91 15.158 -15.335 -15.112 1.00 12.31 C ATOM 1395 C LEU A 91 16.039 -16.580 -15.142 1.00 71.23 C ATOM 1396 O LEU A 91 17.167 -16.542 -15.637 1.00 24.34 O ATOM 1397 CB LEU A 91 14.547 -15.096 -16.494 1.00 34.35 C ATOM 1398 CG LEU A 91 15.502 -14.578 -17.570 1.00 43.14 C ATOM 1399 CD1 LEU A 91 16.016 -15.727 -18.424 1.00 21.14 C ATOM 1400 CD2 LEU A 91 14.815 -13.533 -18.436 1.00 15.23 C ATOM 0 H LEU A 91 16.818 -14.056 -15.157 1.00 41.35 H new ATOM 0 HA LEU A 91 14.357 -15.496 -14.390 1.00 12.31 H new ATOM 0 HB2 LEU A 91 14.111 -16.032 -16.843 1.00 34.35 H new ATOM 0 HB3 LEU A 91 13.729 -14.383 -16.389 1.00 34.35 H new ATOM 0 HG LEU A 91 16.353 -14.108 -17.077 1.00 43.14 H new ATOM 0 HD11 LEU A 91 16.694 -15.340 -19.185 1.00 21.14 H new ATOM 0 HD12 LEU A 91 16.547 -16.440 -17.793 1.00 21.14 H new ATOM 0 HD13 LEU A 91 15.176 -16.226 -18.907 1.00 21.14 H new ATOM 0 HD21 LEU A 91 15.510 -13.176 -19.196 1.00 15.23 H new ATOM 0 HD22 LEU A 91 13.945 -13.976 -18.920 1.00 15.23 H new ATOM 0 HD23 LEU A 91 14.497 -12.697 -17.814 1.00 15.23 H new ATOM 1412 N SER A 92 15.519 -17.682 -14.612 1.00 62.30 N ATOM 1413 CA SER A 92 16.259 -18.937 -14.577 1.00 12.01 C ATOM 1414 C SER A 92 15.445 -20.066 -15.202 1.00 53.43 C ATOM 1415 O SER A 92 14.436 -20.499 -14.648 1.00 42.11 O ATOM 1416 CB SER A 92 16.628 -19.296 -13.136 1.00 32.04 C ATOM 1417 OG SER A 92 16.172 -18.306 -12.231 1.00 24.24 O ATOM 0 H SER A 92 14.587 -17.731 -14.201 1.00 62.30 H new ATOM 0 HA SER A 92 17.173 -18.807 -15.157 1.00 12.01 H new ATOM 0 HB2 SER A 92 16.192 -20.260 -12.875 1.00 32.04 H new ATOM 0 HB3 SER A 92 17.709 -19.402 -13.050 1.00 32.04 H new ATOM 0 HG SER A 92 16.419 -18.560 -11.317 1.00 24.24 H new ATOM 1423 N GLY A 93 15.893 -20.538 -16.362 1.00 72.14 N ATOM 1424 CA GLY A 93 15.195 -21.611 -17.045 1.00 41.14 C ATOM 1425 C GLY A 93 14.918 -21.290 -18.500 1.00 52.41 C ATOM 1426 O GLY A 93 15.681 -21.678 -19.384 1.00 72.03 O ATOM 0 H GLY A 93 16.727 -20.196 -16.840 1.00 72.14 H new ATOM 0 HA2 GLY A 93 15.789 -22.523 -16.984 1.00 41.14 H new ATOM 0 HA3 GLY A 93 14.253 -21.810 -16.534 1.00 41.14 H new ATOM 1430 N ASP A 94 13.824 -20.580 -18.750 1.00 50.01 N ATOM 1431 CA ASP A 94 13.447 -20.207 -20.108 1.00 42.00 C ATOM 1432 C ASP A 94 13.046 -18.736 -20.177 1.00 61.22 C ATOM 1433 O ASP A 94 11.932 -18.368 -19.803 1.00 24.31 O ATOM 1434 CB ASP A 94 12.296 -21.085 -20.601 1.00 44.20 C ATOM 1435 CG ASP A 94 12.620 -21.785 -21.906 1.00 62.13 C ATOM 1436 OD1 ASP A 94 13.239 -22.869 -21.860 1.00 22.23 O ATOM 1437 OD2 ASP A 94 12.254 -21.250 -22.972 1.00 42.01 O1- ATOM 0 H ASP A 94 13.182 -20.251 -18.029 1.00 50.01 H new ATOM 0 HA ASP A 94 14.312 -20.360 -20.753 1.00 42.00 H new ATOM 0 HB2 ASP A 94 12.060 -21.830 -19.841 1.00 44.20 H new ATOM 0 HB3 ASP A 94 11.405 -20.471 -20.733 1.00 44.20 H new ATOM 1442 N ALA A 95 13.962 -17.900 -20.655 1.00 52.22 N ATOM 1443 CA ALA A 95 13.704 -16.470 -20.772 1.00 61.03 C ATOM 1444 C ALA A 95 12.433 -16.207 -21.574 1.00 63.24 C ATOM 1445 O ALA A 95 11.788 -15.171 -21.409 1.00 24.01 O ATOM 1446 CB ALA A 95 14.891 -15.771 -21.417 1.00 22.22 C ATOM 0 H ALA A 95 14.889 -18.188 -20.967 1.00 52.22 H new ATOM 0 HA ALA A 95 13.561 -16.067 -19.769 1.00 61.03 H new ATOM 0 HB1 ALA A 95 14.685 -14.704 -21.498 1.00 22.22 H new ATOM 0 HB2 ALA A 95 15.780 -15.923 -20.805 1.00 22.22 H new ATOM 0 HB3 ALA A 95 15.060 -16.184 -22.411 1.00 22.22 H new ATOM 1452 N ASP A 96 12.081 -17.148 -22.442 1.00 31.21 N ATOM 1453 CA ASP A 96 10.886 -17.016 -23.268 1.00 63.04 C ATOM 1454 C ASP A 96 9.626 -17.030 -22.410 1.00 71.11 C ATOM 1455 O ASP A 96 8.764 -16.161 -22.539 1.00 42.54 O ATOM 1456 CB ASP A 96 10.828 -18.146 -24.299 1.00 13.52 C ATOM 1457 CG ASP A 96 10.563 -17.635 -25.703 1.00 14.13 C ATOM 1458 OD1 ASP A 96 9.887 -16.592 -25.838 1.00 42.02 O ATOM 1459 OD2 ASP A 96 11.032 -18.277 -26.665 1.00 51.14 O1- ATOM 0 H ASP A 96 12.605 -18.010 -22.592 1.00 31.21 H new ATOM 0 HA ASP A 96 10.938 -16.059 -23.788 1.00 63.04 H new ATOM 0 HB2 ASP A 96 11.770 -18.694 -24.287 1.00 13.52 H new ATOM 0 HB3 ASP A 96 10.045 -18.851 -24.018 1.00 13.52 H new ATOM 1464 N LEU A 97 9.525 -18.023 -21.532 1.00 21.24 N ATOM 1465 CA LEU A 97 8.369 -18.150 -20.651 1.00 53.03 C ATOM 1466 C LEU A 97 8.148 -16.870 -19.853 1.00 34.03 C ATOM 1467 O LEU A 97 7.013 -16.433 -19.664 1.00 22.40 O ATOM 1468 CB LEU A 97 8.558 -19.333 -19.698 1.00 23.04 C ATOM 1469 CG LEU A 97 7.496 -20.430 -19.772 1.00 32.22 C ATOM 1470 CD1 LEU A 97 6.123 -19.868 -19.436 1.00 33.50 C ATOM 1471 CD2 LEU A 97 7.488 -21.073 -21.151 1.00 13.34 C ATOM 0 H LEU A 97 10.229 -18.751 -21.412 1.00 21.24 H new ATOM 0 HA LEU A 97 7.489 -18.326 -21.270 1.00 53.03 H new ATOM 0 HB2 LEU A 97 9.531 -19.783 -19.897 1.00 23.04 H new ATOM 0 HB3 LEU A 97 8.587 -18.951 -18.678 1.00 23.04 H new ATOM 0 HG LEU A 97 7.742 -21.197 -19.037 1.00 32.22 H new ATOM 0 HD11 LEU A 97 5.380 -20.664 -19.494 1.00 33.50 H new ATOM 0 HD12 LEU A 97 6.135 -19.456 -18.427 1.00 33.50 H new ATOM 0 HD13 LEU A 97 5.868 -19.081 -20.146 1.00 33.50 H new ATOM 0 HD21 LEU A 97 6.726 -21.852 -21.185 1.00 13.34 H new ATOM 0 HD22 LEU A 97 7.268 -20.316 -21.904 1.00 13.34 H new ATOM 0 HD23 LEU A 97 8.465 -21.512 -21.353 1.00 13.34 H new ATOM 1483 N ALA A 98 9.240 -16.270 -19.390 1.00 51.02 N ATOM 1484 CA ALA A 98 9.166 -15.038 -18.617 1.00 72.21 C ATOM 1485 C ALA A 98 8.864 -13.844 -19.516 1.00 74.34 C ATOM 1486 O ALA A 98 7.947 -13.069 -19.247 1.00 70.15 O ATOM 1487 CB ALA A 98 10.465 -14.813 -17.856 1.00 43.44 C ATOM 0 H ALA A 98 10.187 -16.619 -19.538 1.00 51.02 H new ATOM 0 HA ALA A 98 8.351 -15.136 -17.900 1.00 72.21 H new ATOM 0 HB1 ALA A 98 10.395 -13.889 -17.283 1.00 43.44 H new ATOM 0 HB2 ALA A 98 10.639 -15.648 -17.178 1.00 43.44 H new ATOM 0 HB3 ALA A 98 11.292 -14.741 -18.562 1.00 43.44 H new ATOM 1493 N ALA A 99 9.641 -13.701 -20.584 1.00 41.25 N ATOM 1494 CA ALA A 99 9.455 -12.602 -21.523 1.00 41.24 C ATOM 1495 C ALA A 99 8.023 -12.563 -22.046 1.00 64.45 C ATOM 1496 O ALA A 99 7.428 -11.494 -22.176 1.00 63.22 O ATOM 1497 CB ALA A 99 10.438 -12.722 -22.679 1.00 14.33 C ATOM 0 H ALA A 99 10.406 -14.333 -20.821 1.00 41.25 H new ATOM 0 HA ALA A 99 9.646 -11.669 -20.993 1.00 41.24 H new ATOM 0 HB1 ALA A 99 10.287 -11.894 -23.372 1.00 14.33 H new ATOM 0 HB2 ALA A 99 11.457 -12.692 -22.294 1.00 14.33 H new ATOM 0 HB3 ALA A 99 10.274 -13.666 -23.199 1.00 14.33 H new ATOM 1503 N LYS A 100 7.476 -13.736 -22.347 1.00 1.23 N ATOM 1504 CA LYS A 100 6.114 -13.837 -22.856 1.00 72.44 C ATOM 1505 C LYS A 100 5.130 -13.140 -21.921 1.00 13.34 C ATOM 1506 O LYS A 100 4.086 -12.653 -22.354 1.00 61.21 O ATOM 1507 CB LYS A 100 5.719 -15.306 -23.024 1.00 31.43 C ATOM 1508 CG LYS A 100 5.676 -15.761 -24.473 1.00 4.53 C ATOM 1509 CD LYS A 100 4.540 -15.097 -25.234 1.00 22.41 C ATOM 1510 CE LYS A 100 4.596 -15.425 -26.718 1.00 35.11 C ATOM 1511 NZ LYS A 100 3.858 -16.679 -27.036 1.00 40.13 N1+ ATOM 0 H LYS A 100 7.956 -14.631 -22.247 1.00 1.23 H new ATOM 0 HA LYS A 100 6.078 -13.343 -23.827 1.00 72.44 H new ATOM 0 HB2 LYS A 100 6.427 -15.929 -22.477 1.00 31.43 H new ATOM 0 HB3 LYS A 100 4.740 -15.464 -22.573 1.00 31.43 H new ATOM 0 HG2 LYS A 100 6.624 -15.527 -24.957 1.00 4.53 H new ATOM 0 HG3 LYS A 100 5.557 -16.844 -24.512 1.00 4.53 H new ATOM 0 HD2 LYS A 100 3.585 -15.425 -24.824 1.00 22.41 H new ATOM 0 HD3 LYS A 100 4.591 -14.017 -25.097 1.00 22.41 H new ATOM 0 HE2 LYS A 100 4.172 -14.599 -27.289 1.00 35.11 H new ATOM 0 HE3 LYS A 100 5.636 -15.527 -27.029 1.00 35.11 H new ATOM 0 HZ1 LYS A 100 3.919 -16.869 -28.057 1.00 40.13 H new ATOM 0 HZ2 LYS A 100 4.278 -17.472 -26.511 1.00 40.13 H new ATOM 0 HZ3 LYS A 100 2.860 -16.573 -26.763 1.00 40.13 H new ATOM 1525 N LEU A 101 5.472 -13.093 -20.638 1.00 12.30 N ATOM 1526 CA LEU A 101 4.620 -12.454 -19.642 1.00 3.23 C ATOM 1527 C LEU A 101 4.694 -10.934 -19.757 1.00 62.45 C ATOM 1528 O LEU A 101 3.671 -10.259 -19.856 1.00 14.21 O ATOM 1529 CB LEU A 101 5.030 -12.891 -18.235 1.00 62.20 C ATOM 1530 CG LEU A 101 3.985 -13.680 -17.446 1.00 45.40 C ATOM 1531 CD1 LEU A 101 4.445 -13.891 -16.012 1.00 50.44 C ATOM 1532 CD2 LEU A 101 2.641 -12.965 -17.477 1.00 34.24 C ATOM 0 H LEU A 101 6.334 -13.490 -20.263 1.00 12.30 H new ATOM 0 HA LEU A 101 3.592 -12.765 -19.827 1.00 3.23 H new ATOM 0 HB2 LEU A 101 5.932 -13.498 -18.313 1.00 62.20 H new ATOM 0 HB3 LEU A 101 5.293 -12.002 -17.662 1.00 62.20 H new ATOM 0 HG LEU A 101 3.866 -14.657 -17.915 1.00 45.40 H new ATOM 0 HD11 LEU A 101 3.688 -14.454 -15.466 1.00 50.44 H new ATOM 0 HD12 LEU A 101 5.383 -14.446 -16.009 1.00 50.44 H new ATOM 0 HD13 LEU A 101 4.594 -12.924 -15.532 1.00 50.44 H new ATOM 0 HD21 LEU A 101 1.909 -13.541 -16.910 1.00 34.24 H new ATOM 0 HD22 LEU A 101 2.745 -11.975 -17.034 1.00 34.24 H new ATOM 0 HD23 LEU A 101 2.305 -12.867 -18.509 1.00 34.24 H new ATOM 1544 N ALA A 102 5.914 -10.405 -19.744 1.00 31.42 N ATOM 1545 CA ALA A 102 6.122 -8.966 -19.850 1.00 1.32 C ATOM 1546 C ALA A 102 5.338 -8.383 -21.022 1.00 62.44 C ATOM 1547 O ALA A 102 4.918 -7.227 -20.985 1.00 20.35 O ATOM 1548 CB ALA A 102 7.604 -8.657 -19.999 1.00 64.24 C ATOM 0 H ALA A 102 6.772 -10.951 -19.661 1.00 31.42 H new ATOM 0 HA ALA A 102 5.755 -8.502 -18.934 1.00 1.32 H new ATOM 0 HB1 ALA A 102 7.745 -7.579 -20.077 1.00 64.24 H new ATOM 0 HB2 ALA A 102 8.143 -9.031 -19.129 1.00 64.24 H new ATOM 0 HB3 ALA A 102 7.988 -9.139 -20.898 1.00 64.24 H new ATOM 1554 N GLU A 103 5.146 -9.191 -22.060 1.00 45.13 N ATOM 1555 CA GLU A 103 4.414 -8.753 -23.242 1.00 0.13 C ATOM 1556 C GLU A 103 3.039 -8.212 -22.862 1.00 54.13 C ATOM 1557 O GLU A 103 2.529 -7.284 -23.489 1.00 43.44 O ATOM 1558 CB GLU A 103 4.263 -9.909 -24.233 1.00 65.34 C ATOM 1559 CG GLU A 103 2.978 -10.701 -24.053 1.00 71.40 C ATOM 1560 CD GLU A 103 1.791 -10.049 -24.735 1.00 43.23 C ATOM 1561 OE1 GLU A 103 0.742 -9.893 -24.077 1.00 35.33 O ATOM 1562 OE2 GLU A 103 1.911 -9.696 -25.927 1.00 44.42 O1- ATOM 0 H GLU A 103 5.487 -10.151 -22.106 1.00 45.13 H new ATOM 0 HA GLU A 103 4.983 -7.951 -23.713 1.00 0.13 H new ATOM 0 HB2 GLU A 103 4.297 -9.513 -25.248 1.00 65.34 H new ATOM 0 HB3 GLU A 103 5.113 -10.582 -24.125 1.00 65.34 H new ATOM 0 HG2 GLU A 103 3.116 -11.706 -24.453 1.00 71.40 H new ATOM 0 HG3 GLU A 103 2.767 -10.808 -22.989 1.00 71.40 H new ATOM 1569 N VAL A 104 2.443 -8.801 -21.828 1.00 33.41 N ATOM 1570 CA VAL A 104 1.128 -8.378 -21.363 1.00 23.33 C ATOM 1571 C VAL A 104 1.228 -7.139 -20.482 1.00 20.50 C ATOM 1572 O VAL A 104 0.249 -6.414 -20.298 1.00 4.15 O ATOM 1573 CB VAL A 104 0.425 -9.499 -20.574 1.00 33.51 C ATOM 1574 CG1 VAL A 104 0.951 -9.559 -19.149 1.00 74.10 C ATOM 1575 CG2 VAL A 104 -1.082 -9.295 -20.587 1.00 43.11 C ATOM 0 H VAL A 104 2.850 -9.571 -21.298 1.00 33.41 H new ATOM 0 HA VAL A 104 0.540 -8.143 -22.250 1.00 23.33 H new ATOM 0 HB VAL A 104 0.643 -10.452 -21.057 1.00 33.51 H new ATOM 0 HG11 VAL A 104 0.443 -10.357 -18.607 1.00 74.10 H new ATOM 0 HG12 VAL A 104 2.023 -9.757 -19.165 1.00 74.10 H new ATOM 0 HG13 VAL A 104 0.765 -8.607 -18.652 1.00 74.10 H new ATOM 0 HG21 VAL A 104 -1.562 -10.096 -20.025 1.00 43.11 H new ATOM 0 HG22 VAL A 104 -1.323 -8.335 -20.130 1.00 43.11 H new ATOM 0 HG23 VAL A 104 -1.442 -9.307 -21.616 1.00 43.11 H new ATOM 1585 N ILE A 105 2.418 -6.900 -19.939 1.00 64.50 N ATOM 1586 CA ILE A 105 2.646 -5.746 -19.078 1.00 64.45 C ATOM 1587 C ILE A 105 3.000 -4.510 -19.898 1.00 25.40 C ATOM 1588 O ILE A 105 2.553 -3.403 -19.596 1.00 74.01 O ATOM 1589 CB ILE A 105 3.773 -6.015 -18.063 1.00 25.25 C ATOM 1590 CG1 ILE A 105 3.500 -7.311 -17.296 1.00 71.41 C ATOM 1591 CG2 ILE A 105 3.912 -4.844 -17.102 1.00 10.31 C ATOM 1592 CD1 ILE A 105 4.630 -7.720 -16.379 1.00 20.20 C ATOM 0 H ILE A 105 3.238 -7.490 -20.080 1.00 64.50 H new ATOM 0 HA ILE A 105 1.717 -5.567 -18.538 1.00 64.45 H new ATOM 0 HB ILE A 105 4.711 -6.127 -18.606 1.00 25.25 H new ATOM 0 HG12 ILE A 105 2.591 -7.190 -16.707 1.00 71.41 H new ATOM 0 HG13 ILE A 105 3.314 -8.114 -18.010 1.00 71.41 H new ATOM 0 HG21 ILE A 105 4.712 -5.050 -16.391 1.00 10.31 H new ATOM 0 HG22 ILE A 105 4.148 -3.939 -17.662 1.00 10.31 H new ATOM 0 HG23 ILE A 105 2.975 -4.703 -16.563 1.00 10.31 H new ATOM 0 HD11 ILE A 105 4.367 -8.646 -15.868 1.00 20.20 H new ATOM 0 HD12 ILE A 105 5.537 -7.873 -16.965 1.00 20.20 H new ATOM 0 HD13 ILE A 105 4.802 -6.936 -15.642 1.00 20.20 H new ATOM 1604 N HIS A 106 3.806 -4.707 -20.937 1.00 4.44 N ATOM 1605 CA HIS A 106 4.218 -3.608 -21.803 1.00 52.41 C ATOM 1606 C HIS A 106 3.008 -2.821 -22.296 1.00 72.24 C ATOM 1607 O HIS A 106 2.107 -3.377 -22.925 1.00 4.11 O ATOM 1608 CB HIS A 106 5.014 -4.141 -22.995 1.00 33.32 C ATOM 1609 CG HIS A 106 5.741 -3.074 -23.755 1.00 62.22 C ATOM 1610 ND1 HIS A 106 5.712 -2.980 -25.131 1.00 53.42 N ATOM 1611 CD2 HIS A 106 6.516 -2.052 -23.325 1.00 33.43 C ATOM 1612 CE1 HIS A 106 6.441 -1.946 -25.514 1.00 21.21 C ATOM 1613 NE2 HIS A 106 6.939 -1.366 -24.437 1.00 23.34 N ATOM 0 H HIS A 106 4.186 -5.616 -21.199 1.00 4.44 H new ATOM 0 HA HIS A 106 4.852 -2.939 -21.222 1.00 52.41 H new ATOM 0 HB2 HIS A 106 5.735 -4.878 -22.640 1.00 33.32 H new ATOM 0 HB3 HIS A 106 4.335 -4.660 -23.672 1.00 33.32 H new ATOM 0 HD2 HIS A 106 6.757 -1.819 -22.298 1.00 33.43 H new ATOM 0 HE1 HIS A 106 6.602 -1.629 -26.534 1.00 21.21 H new ATOM 0 HE2 HIS A 106 7.540 -0.542 -24.432 1.00 23.34 H new ATOM 1621 N HIS A 107 2.993 -1.524 -22.006 1.00 10.53 N ATOM 1622 CA HIS A 107 1.893 -0.661 -22.420 1.00 31.12 C ATOM 1623 C HIS A 107 0.586 -1.090 -21.760 1.00 63.22 C ATOM 1624 O HIS A 107 -0.219 -1.802 -22.361 1.00 44.22 O ATOM 1625 CB HIS A 107 1.741 -0.685 -23.941 1.00 2.41 C ATOM 1626 CG HIS A 107 2.324 0.515 -24.621 1.00 35.31 C ATOM 1627 ND1 HIS A 107 3.675 0.668 -24.852 1.00 74.24 N ATOM 1628 CD2 HIS A 107 1.730 1.624 -25.122 1.00 40.51 C ATOM 1629 CE1 HIS A 107 3.887 1.819 -25.465 1.00 60.13 C ATOM 1630 NE2 HIS A 107 2.723 2.418 -25.641 1.00 32.02 N ATOM 0 H HIS A 107 3.730 -1.048 -21.486 1.00 10.53 H new ATOM 0 HA HIS A 107 2.124 0.356 -22.102 1.00 31.12 H new ATOM 0 HB2 HIS A 107 2.221 -1.582 -24.332 1.00 2.41 H new ATOM 0 HB3 HIS A 107 0.682 -0.755 -24.191 1.00 2.41 H new ATOM 0 HD2 HIS A 107 0.672 1.843 -25.115 1.00 40.51 H new ATOM 0 HE1 HIS A 107 4.849 2.205 -25.770 1.00 60.13 H new ATOM 0 HE2 HIS A 107 2.584 3.323 -26.090 1.00 32.02 H new ATOM 1638 N HIS A 108 0.384 -0.654 -20.520 1.00 45.32 N ATOM 1639 CA HIS A 108 -0.825 -0.995 -19.779 1.00 4.03 C ATOM 1640 C HIS A 108 -2.030 -0.239 -20.329 1.00 72.22 C ATOM 1641 O HIS A 108 -1.953 0.392 -21.384 1.00 3.23 O ATOM 1642 CB HIS A 108 -0.644 -0.678 -18.294 1.00 41.24 C ATOM 1643 CG HIS A 108 -1.179 -1.741 -17.385 1.00 54.24 C ATOM 1644 ND1 HIS A 108 -1.876 -1.461 -16.228 1.00 72.21 N ATOM 1645 CD2 HIS A 108 -1.120 -3.091 -17.469 1.00 62.05 C ATOM 1646 CE1 HIS A 108 -2.219 -2.592 -15.639 1.00 12.10 C ATOM 1647 NE2 HIS A 108 -1.774 -3.597 -16.372 1.00 53.45 N ATOM 0 H HIS A 108 1.041 -0.065 -20.008 1.00 45.32 H new ATOM 0 HA HIS A 108 -1.004 -2.064 -19.896 1.00 4.03 H new ATOM 0 HB2 HIS A 108 0.417 -0.536 -18.088 1.00 41.24 H new ATOM 0 HB3 HIS A 108 -1.142 0.265 -18.069 1.00 41.24 H new ATOM 0 HD1 HIS A 108 -2.093 -0.526 -15.882 1.00 72.21 H new ATOM 0 HD2 HIS A 108 -0.647 -3.664 -18.253 1.00 62.05 H new ATOM 0 HE1 HIS A 108 -2.770 -2.680 -14.714 1.00 12.10 H new ATOM 1655 N HIS A 109 -3.145 -0.307 -19.607 1.00 52.35 N ATOM 1656 CA HIS A 109 -4.368 0.370 -20.023 1.00 11.14 C ATOM 1657 C HIS A 109 -4.878 -0.192 -21.346 1.00 61.53 C ATOM 1658 O HIS A 109 -4.554 0.321 -22.417 1.00 23.40 O ATOM 1659 CB HIS A 109 -4.122 1.874 -20.156 1.00 3.42 C ATOM 1660 CG HIS A 109 -3.442 2.478 -18.966 1.00 63.42 C ATOM 1661 ND1 HIS A 109 -2.104 2.807 -18.950 1.00 45.04 N ATOM 1662 CD2 HIS A 109 -3.924 2.813 -17.746 1.00 32.11 C ATOM 1663 CE1 HIS A 109 -1.791 3.316 -17.773 1.00 34.32 C ATOM 1664 NE2 HIS A 109 -2.879 3.332 -17.024 1.00 11.45 N ATOM 0 H HIS A 109 -3.226 -0.824 -18.731 1.00 52.35 H new ATOM 0 HA HIS A 109 -5.127 0.198 -19.260 1.00 11.14 H new ATOM 0 HB2 HIS A 109 -3.515 2.057 -21.043 1.00 3.42 H new ATOM 0 HB3 HIS A 109 -5.076 2.377 -20.313 1.00 3.42 H new ATOM 0 HD2 HIS A 109 -4.942 2.694 -17.405 1.00 32.11 H new ATOM 0 HE1 HIS A 109 -0.812 3.661 -17.473 1.00 34.32 H new ATOM 0 HE2 HIS A 109 -2.933 3.675 -16.065 1.00 11.45 H new ATOM 1672 N HIS A 110 -5.679 -1.251 -21.265 1.00 63.25 N ATOM 1673 CA HIS A 110 -6.233 -1.883 -22.456 1.00 60.44 C ATOM 1674 C HIS A 110 -7.251 -2.956 -22.077 1.00 41.24 C ATOM 1675 O HIS A 110 -7.057 -4.138 -22.361 1.00 3.33 O ATOM 1676 CB HIS A 110 -5.116 -2.499 -23.299 1.00 25.35 C ATOM 1677 CG HIS A 110 -5.464 -2.629 -24.750 1.00 31.33 C ATOM 1678 ND1 HIS A 110 -4.516 -2.775 -25.741 1.00 3.51 N ATOM 1679 CD2 HIS A 110 -6.664 -2.638 -25.376 1.00 15.11 C ATOM 1680 CE1 HIS A 110 -5.118 -2.865 -26.913 1.00 32.02 C ATOM 1681 NE2 HIS A 110 -6.422 -2.786 -26.719 1.00 44.22 N ATOM 0 H HIS A 110 -5.958 -1.688 -20.387 1.00 63.25 H new ATOM 0 HA HIS A 110 -6.739 -1.116 -23.042 1.00 60.44 H new ATOM 0 HB2 HIS A 110 -4.219 -1.887 -23.202 1.00 25.35 H new ATOM 0 HB3 HIS A 110 -4.874 -3.485 -22.902 1.00 25.35 H new ATOM 0 HD2 HIS A 110 -7.632 -2.546 -24.906 1.00 15.11 H new ATOM 0 HE1 HIS A 110 -4.627 -2.983 -27.868 1.00 32.02 H new ATOM 0 HE2 HIS A 110 -7.134 -2.828 -27.449 1.00 44.22 H new ATOM 1689 N HIS A 111 -8.335 -2.534 -21.434 1.00 71.21 N ATOM 1690 CA HIS A 111 -9.383 -3.459 -21.016 1.00 52.02 C ATOM 1691 C HIS A 111 -8.846 -4.468 -20.005 1.00 34.54 C ATOM 1692 O HIS A 111 -7.716 -4.316 -19.545 1.00 65.33 O ATOM 1693 CB HIS A 111 -9.959 -4.191 -22.227 1.00 34.45 C ATOM 1694 CG HIS A 111 -11.370 -3.801 -22.548 1.00 61.54 C ATOM 1695 ND1 HIS A 111 -11.689 -2.788 -23.429 1.00 13.21 N ATOM 1696 CD2 HIS A 111 -12.548 -4.295 -22.101 1.00 3.44 C ATOM 1697 CE1 HIS A 111 -13.002 -2.676 -23.508 1.00 13.33 C ATOM 1698 NE2 HIS A 111 -13.547 -3.578 -22.713 1.00 25.24 N ATOM 0 H HIS A 111 -8.511 -1.559 -21.191 1.00 71.21 H new ATOM 0 HA HIS A 111 -10.175 -2.881 -20.540 1.00 52.02 H new ATOM 0 HB2 HIS A 111 -9.330 -3.992 -23.094 1.00 34.45 H new ATOM 0 HB3 HIS A 111 -9.920 -5.265 -22.044 1.00 34.45 H new ATOM 0 HD2 HIS A 111 -12.678 -5.102 -21.395 1.00 3.44 H new ATOM 0 HE1 HIS A 111 -13.539 -1.966 -24.120 1.00 13.33 H new ATOM 0 HE2 HIS A 111 -14.548 -3.720 -22.575 1.00 25.24 H new TER 1706 HIS A 111 HETATM 1707 C1 PLM A 201 -1.101 -16.481 -19.175 1.00 11.25 C HETATM 1708 O1 PLM A 201 -0.071 -16.126 -18.356 1.00 30.44 O HETATM 1709 O2 PLM A 201 -1.870 -17.405 -18.927 1.00 43.03 O HETATM 1710 C2 PLM A 201 -1.195 -15.606 -20.453 1.00 21.42 C HETATM 1711 C3 PLM A 201 -1.670 -14.158 -20.076 1.00 43.24 C HETATM 1712 C4 PLM A 201 -0.769 -13.420 -19.061 1.00 40.30 C HETATM 1713 C5 PLM A 201 -1.267 -13.582 -17.612 1.00 45.00 C HETATM 1714 C6 PLM A 201 -0.217 -13.125 -16.583 1.00 34.21 C HETATM 1715 C7 PLM A 201 -0.842 -12.822 -15.208 1.00 23.23 C HETATM 1716 C8 PLM A 201 -1.026 -11.310 -14.971 1.00 50.35 C HETATM 1717 C9 PLM A 201 0.271 -10.631 -14.487 1.00 13.45 C HETATM 1718 CA PLM A 201 1.238 -11.570 -13.736 1.00 44.10 C HETATM 1719 CB PLM A 201 2.386 -10.752 -13.117 1.00 71.52 C HETATM 1720 CC PLM A 201 3.622 -11.828 -12.838 1.00 61.21 C HETATM 1721 CD PLM A 201 4.160 -11.688 -11.402 1.00 62.02 C HETATM 1722 CE PLM A 201 5.699 -11.752 -11.347 1.00 10.40 C HETATM 1723 CF PLM A 201 6.270 -12.812 -12.308 1.00 25.23 C HETATM 1724 CG PLM A 201 6.857 -14.010 -11.551 1.00 45.31 C HETATM 0 HG3 PLM A 201 7.662 -13.670 -10.900 1.00 45.31 H new HETATM 0 HG2 PLM A 201 6.077 -14.478 -10.950 1.00 45.31 H new HETATM 0 HG1 PLM A 201 7.249 -14.735 -12.265 1.00 45.31 H new HETATM 0 HF2 PLM A 201 5.483 -13.156 -12.979 1.00 25.23 H new HETATM 0 HF1 PLM A 201 7.043 -12.360 -12.929 1.00 25.23 H new HETATM 0 HE2 PLM A 201 6.111 -10.775 -11.599 1.00 10.40 H new HETATM 0 HE1 PLM A 201 6.016 -11.978 -10.329 1.00 10.40 H new HETATM 0 HD2 PLM A 201 3.822 -10.741 -10.980 1.00 62.02 H new HETATM 0 HD1 PLM A 201 3.743 -12.481 -10.781 1.00 62.02 H new HETATM 0 HC2 PLM A 201 3.267 -12.846 -13.000 1.00 61.21 H new HETATM 0 HC1 PLM A 201 4.428 -11.655 -13.551 1.00 61.21 H new HETATM 0 HB2 PLM A 201 2.706 -9.958 -13.791 1.00 71.52 H new HETATM 0 HB1 PLM A 201 2.068 -10.275 -12.190 1.00 71.52 H new HETATM 0 HA2 PLM A 201 0.702 -12.110 -12.955 1.00 44.10 H new HETATM 0 HA1 PLM A 201 1.640 -12.316 -14.421 1.00 44.10 H new HETATM 0 H92 PLM A 201 0.789 -10.208 -15.348 1.00 13.45 H new HETATM 0 H91 PLM A 201 0.009 -9.799 -13.833 1.00 13.45 H new HETATM 0 H82 PLM A 201 -1.358 -10.837 -15.896 1.00 50.35 H new HETATM 0 H81 PLM A 201 -1.813 -11.153 -14.233 1.00 50.35 H new HETATM 0 H72 PLM A 201 -1.809 -13.320 -15.133 1.00 23.23 H new HETATM 0 H71 PLM A 201 -0.208 -13.236 -14.424 1.00 23.23 H new HETATM 0 H62 PLM A 201 0.542 -13.900 -16.472 1.00 34.21 H new HETATM 0 H61 PLM A 201 0.289 -12.234 -16.954 1.00 34.21 H new HETATM 0 H52 PLM A 201 -2.181 -13.004 -17.477 1.00 45.00 H new HETATM 0 H51 PLM A 201 -1.520 -14.627 -17.431 1.00 45.00 H new HETATM 0 H42 PLM A 201 0.249 -13.801 -19.138 1.00 40.30 H new HETATM 0 H41 PLM A 201 -0.732 -12.360 -19.314 1.00 40.30 H new HETATM 0 H32 PLM A 201 -1.729 -13.562 -20.987 1.00 43.24 H new HETATM 0 H31 PLM A 201 -2.679 -14.217 -19.668 1.00 43.24 H new HETATM 0 H22 PLM A 201 -0.224 -15.563 -20.947 1.00 21.42 H new HETATM 0 H21 PLM A 201 -1.893 -16.054 -21.161 1.00 21.42 H new HETATM 0 H PLM A 201 0.715 -15.902 -18.897 1.00 30.44 H new HETATM 1757 C1 PLM A 202 0.900 -5.771 -14.114 1.00 15.44 C HETATM 1758 O1 PLM A 202 0.365 -4.649 -14.673 1.00 73.20 O HETATM 1759 O2 PLM A 202 1.575 -6.581 -14.744 1.00 74.42 O HETATM 1760 C2 PLM A 202 0.564 -5.922 -12.607 1.00 5.04 C HETATM 1761 C3 PLM A 202 1.339 -4.839 -11.776 1.00 32.23 C HETATM 1762 C4 PLM A 202 2.784 -4.562 -12.250 1.00 44.01 C HETATM 1763 C5 PLM A 202 3.560 -5.859 -12.546 1.00 2.30 C HETATM 1764 C6 PLM A 202 5.029 -5.772 -12.092 1.00 64.43 C HETATM 1765 C7 PLM A 202 5.931 -6.769 -12.845 1.00 32.51 C HETATM 1766 C8 PLM A 202 6.585 -7.792 -11.897 1.00 51.45 C HETATM 1767 C9 PLM A 202 7.587 -8.710 -12.628 1.00 51.43 C HETATM 1768 CA PLM A 202 8.535 -7.973 -13.597 1.00 44.42 C HETATM 1769 CB PLM A 202 7.999 -8.083 -15.037 1.00 34.24 C HETATM 1770 CC PLM A 202 7.838 -9.709 -15.344 1.00 0.42 C HETATM 1771 CD PLM A 202 8.148 -10.022 -16.821 1.00 12.51 C HETATM 1772 CE PLM A 202 9.194 -11.143 -16.972 1.00 22.43 C HETATM 1773 CF PLM A 202 10.091 -10.938 -18.207 1.00 30.40 C HETATM 1774 CG PLM A 202 11.551 -11.309 -17.918 1.00 53.12 C HETATM 0 HG3 PLM A 202 11.932 -10.684 -17.111 1.00 53.12 H new HETATM 0 HG2 PLM A 202 11.609 -12.357 -17.624 1.00 53.12 H new HETATM 0 HG1 PLM A 202 12.151 -11.150 -18.814 1.00 53.12 H new HETATM 0 HF2 PLM A 202 9.718 -11.545 -19.032 1.00 30.40 H new HETATM 0 HF1 PLM A 202 10.037 -9.897 -18.527 1.00 30.40 H new HETATM 0 HE2 PLM A 202 9.814 -11.182 -16.077 1.00 22.43 H new HETATM 0 HE1 PLM A 202 8.686 -12.104 -17.050 1.00 22.43 H new HETATM 0 HD2 PLM A 202 7.229 -10.314 -17.329 1.00 12.51 H new HETATM 0 HD1 PLM A 202 8.511 -9.120 -17.313 1.00 12.51 H new HETATM 0 HC2 PLM A 202 8.511 -10.274 -14.699 1.00 0.42 H new HETATM 0 HC1 PLM A 202 6.824 -10.030 -15.105 1.00 0.42 H new HETATM 0 HB2 PLM A 202 7.042 -7.571 -15.137 1.00 34.24 H new HETATM 0 HB1 PLM A 202 8.685 -7.618 -15.745 1.00 34.24 H new HETATM 0 HA2 PLM A 202 8.620 -6.925 -13.310 1.00 44.42 H new HETATM 0 HA1 PLM A 202 9.535 -8.402 -13.538 1.00 44.42 H new HETATM 0 H92 PLM A 202 8.185 -9.239 -11.886 1.00 51.43 H new HETATM 0 H91 PLM A 202 7.031 -9.464 -13.186 1.00 51.43 H new HETATM 0 H82 PLM A 202 7.099 -7.263 -11.094 1.00 51.45 H new HETATM 0 H81 PLM A 202 5.810 -8.401 -11.432 1.00 51.45 H new HETATM 0 H72 PLM A 202 5.341 -7.296 -13.594 1.00 32.51 H new HETATM 0 H71 PLM A 202 6.708 -6.222 -13.379 1.00 32.51 H new HETATM 0 H62 PLM A 202 5.398 -4.759 -12.252 1.00 64.43 H new HETATM 0 H61 PLM A 202 5.089 -5.968 -11.021 1.00 64.43 H new HETATM 0 H52 PLM A 202 3.074 -6.695 -12.042 1.00 2.30 H new HETATM 0 H51 PLM A 202 3.523 -6.067 -13.615 1.00 2.30 H new HETATM 0 H42 PLM A 202 2.758 -3.944 -13.148 1.00 44.01 H new HETATM 0 H41 PLM A 202 3.312 -3.992 -11.486 1.00 44.01 H new HETATM 0 H32 PLM A 202 0.777 -3.906 -11.810 1.00 32.23 H new HETATM 0 H31 PLM A 202 1.369 -5.156 -10.733 1.00 32.23 H new HETATM 0 H22 PLM A 202 -0.509 -5.813 -12.452 1.00 5.04 H new HETATM 0 H21 PLM A 202 0.836 -6.920 -12.263 1.00 5.04 H new HETATM 0 H PLM A 202 -0.414 -4.893 -15.215 1.00 73.20 H new