USER MOD reduce.3.24.130724 H: found=0, std=0, add=734, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 732 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 79 GLN : amide:sc= 0.794 X(o=1.6,f=1.2) USER MOD Set 1.2: A 81 SER OG : rot 180:sc= 0.787 USER MOD Set 2.1: A 63 GLN : amide:sc= 0.901 K(o=2.2,f=0.53) USER MOD Set 2.2: A 65 GLN : amide:sc= 1.31 K(o=2.2,f=0.53) USER MOD Set 3.1: A 1 MET CE :methyl -174:sc= -1.35 (180deg=-1.54) USER MOD Set 3.2: A 15 MET CE :methyl -160:sc= -0.263 (180deg=-0.44) USER MOD Single : A 1 MET N :NH3+ 176:sc= 0.949 (180deg=0.935) USER MOD Single : A 7 ASN : amide:sc= 0.777 K(o=0.78,f=-6.1!) USER MOD Single : A 9 HIS : no HE2:sc= 0.818 K(o=0.82,f=-3.3!) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -175:sc= 1.31 (180deg=1.2) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot -28:sc= 0.096 USER MOD Single : A 17 TYR OH : rot 92:sc= 0.294 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 1.69 K(o=1.7,f=0) USER MOD Single : A 37 SER OG : rot -87:sc= 1.24 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HD1:sc= -0.058 X(o=-0.058,f=0) USER MOD Single : A 69 LYS NZ :NH3+ -173:sc= 1.19 (180deg=1.16) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.248 USER MOD Single : A 77 LYS NZ :NH3+ 135:sc= 2.29 (180deg=0.89) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ -174:sc= 1.13 (180deg=1.11) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.200 0.423 -3.040 1.00 0.00 N ATOM 2 CA MET A 1 4.695 -0.605 -4.001 1.00 0.00 C ATOM 3 C MET A 1 3.515 -0.085 -4.843 1.00 0.00 C ATOM 4 O MET A 1 2.986 0.996 -4.582 1.00 0.00 O ATOM 5 CB MET A 1 4.370 -1.955 -3.315 1.00 0.00 C ATOM 6 CG MET A 1 3.124 -1.959 -2.417 1.00 0.00 C ATOM 7 SD MET A 1 2.976 -3.406 -1.338 1.00 0.00 S ATOM 8 CE MET A 1 2.968 -4.705 -2.592 1.00 0.00 C ATOM 0 H1 MET A 1 5.948 0.008 -2.449 1.00 0.00 H new ATOM 0 H2 MET A 1 5.585 1.232 -3.568 1.00 0.00 H new ATOM 0 H3 MET A 1 4.419 0.745 -2.434 1.00 0.00 H new ATOM 0 HA MET A 1 5.514 -0.802 -4.693 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.242 -2.713 -4.088 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.230 -2.254 -2.715 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.135 -1.061 -1.799 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.237 -1.901 -3.048 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.775 -5.667 -2.118 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.188 -4.499 -3.325 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.936 -4.734 -3.092 1.00 0.00 H new ATOM 20 N GLU A 2 3.080 -0.856 -5.846 1.00 0.00 N ATOM 21 CA GLU A 2 2.263 -0.397 -6.966 1.00 0.00 C ATOM 22 C GLU A 2 0.956 -1.205 -6.956 1.00 0.00 C ATOM 23 O GLU A 2 0.828 -2.188 -7.682 1.00 0.00 O ATOM 24 CB GLU A 2 3.119 -0.560 -8.247 1.00 0.00 C ATOM 25 CG GLU A 2 3.913 0.700 -8.632 1.00 0.00 C ATOM 26 CD GLU A 2 4.891 1.193 -7.543 1.00 0.00 C ATOM 27 OE1 GLU A 2 5.729 0.402 -7.048 1.00 0.00 O ATOM 28 OE2 GLU A 2 4.834 2.395 -7.185 1.00 0.00 O ATOM 0 H GLU A 2 3.297 -1.851 -5.898 1.00 0.00 H new ATOM 0 HA GLU A 2 1.973 0.652 -6.907 1.00 0.00 H new ATOM 0 HB2 GLU A 2 3.815 -1.386 -8.104 1.00 0.00 H new ATOM 0 HB3 GLU A 2 2.466 -0.833 -9.076 1.00 0.00 H new ATOM 0 HG2 GLU A 2 4.475 0.496 -9.543 1.00 0.00 H new ATOM 0 HG3 GLU A 2 3.211 1.501 -8.863 1.00 0.00 H new ATOM 35 N ILE A 3 0.029 -0.865 -6.052 1.00 0.00 N ATOM 36 CA ILE A 3 -1.285 -1.517 -5.918 1.00 0.00 C ATOM 37 C ILE A 3 -2.141 -1.221 -7.171 1.00 0.00 C ATOM 38 O ILE A 3 -2.001 -0.155 -7.778 1.00 0.00 O ATOM 39 CB ILE A 3 -1.995 -1.026 -4.631 1.00 0.00 C ATOM 40 CG1 ILE A 3 -1.114 -1.120 -3.366 1.00 0.00 C ATOM 41 CG2 ILE A 3 -3.313 -1.788 -4.369 1.00 0.00 C ATOM 42 CD1 ILE A 3 -0.619 -2.512 -2.960 1.00 0.00 C ATOM 0 H ILE A 3 0.172 -0.113 -5.378 1.00 0.00 H new ATOM 0 HA ILE A 3 -1.149 -2.596 -5.838 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.207 0.026 -4.822 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.243 -0.481 -3.512 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.677 -0.705 -2.530 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -3.776 -1.411 -3.457 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.992 -1.640 -5.209 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -3.102 -2.851 -4.256 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -0.013 -2.434 -2.057 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -1.474 -3.160 -2.768 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.018 -2.933 -3.765 1.00 0.00 H new ATOM 54 N GLU A 4 -3.086 -2.107 -7.514 1.00 0.00 N ATOM 55 CA GLU A 4 -4.133 -1.874 -8.512 1.00 0.00 C ATOM 56 C GLU A 4 -5.409 -2.616 -8.095 1.00 0.00 C ATOM 57 O GLU A 4 -5.350 -3.777 -7.688 1.00 0.00 O ATOM 58 CB GLU A 4 -3.649 -2.385 -9.882 1.00 0.00 C ATOM 59 CG GLU A 4 -4.626 -2.058 -11.016 1.00 0.00 C ATOM 60 CD GLU A 4 -3.919 -1.892 -12.374 1.00 0.00 C ATOM 61 OE1 GLU A 4 -3.410 -0.780 -12.659 1.00 0.00 O ATOM 62 OE2 GLU A 4 -3.885 -2.859 -13.174 1.00 0.00 O ATOM 0 H GLU A 4 -3.143 -3.033 -7.090 1.00 0.00 H new ATOM 0 HA GLU A 4 -4.348 -0.808 -8.582 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.678 -1.944 -10.107 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.505 -3.464 -9.832 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -5.369 -2.852 -11.091 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -5.163 -1.141 -10.775 1.00 0.00 H new ATOM 69 N ARG A 5 -6.584 -1.997 -8.240 1.00 0.00 N ATOM 70 CA ARG A 5 -7.853 -2.725 -8.150 1.00 0.00 C ATOM 71 C ARG A 5 -8.219 -3.216 -9.547 1.00 0.00 C ATOM 72 O ARG A 5 -8.283 -2.412 -10.477 1.00 0.00 O ATOM 73 CB ARG A 5 -8.979 -1.843 -7.617 1.00 0.00 C ATOM 74 CG ARG A 5 -8.707 -1.201 -6.260 1.00 0.00 C ATOM 75 CD ARG A 5 -8.205 -2.092 -5.112 1.00 0.00 C ATOM 76 NE ARG A 5 -7.856 -1.268 -3.935 1.00 0.00 N ATOM 77 CZ ARG A 5 -8.733 -0.715 -3.081 1.00 0.00 C ATOM 78 NH1 ARG A 5 -10.026 -0.967 -3.157 1.00 0.00 N ATOM 79 NH2 ARG A 5 -8.328 0.114 -2.128 1.00 0.00 N ATOM 0 H ARG A 5 -6.683 -0.998 -8.419 1.00 0.00 H new ATOM 0 HA ARG A 5 -7.729 -3.556 -7.456 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -9.177 -1.054 -8.342 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -9.886 -2.443 -7.543 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -7.973 -0.409 -6.410 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -9.629 -0.723 -5.929 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -8.974 -2.816 -4.842 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -7.333 -2.659 -5.438 1.00 0.00 H new ATOM 0 HE ARG A 5 -6.865 -1.106 -3.756 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -10.382 -1.596 -3.877 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -10.670 -0.533 -2.495 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -7.338 0.340 -2.036 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -9.007 0.525 -1.488 1.00 0.00 H new ATOM 93 N ILE A 6 -8.476 -4.516 -9.692 1.00 0.00 N ATOM 94 CA ILE A 6 -8.983 -5.072 -10.944 1.00 0.00 C ATOM 95 C ILE A 6 -10.502 -4.869 -10.962 1.00 0.00 C ATOM 96 O ILE A 6 -11.033 -4.147 -11.807 1.00 0.00 O ATOM 97 CB ILE A 6 -8.579 -6.554 -11.046 1.00 0.00 C ATOM 98 CG1 ILE A 6 -7.073 -6.740 -10.774 1.00 0.00 C ATOM 99 CG2 ILE A 6 -8.977 -7.174 -12.395 1.00 0.00 C ATOM 100 CD1 ILE A 6 -6.133 -5.836 -11.582 1.00 0.00 C ATOM 0 H ILE A 6 -8.340 -5.206 -8.953 1.00 0.00 H new ATOM 0 HA ILE A 6 -8.557 -4.570 -11.813 1.00 0.00 H new ATOM 0 HB ILE A 6 -9.133 -7.088 -10.274 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -6.890 -6.567 -9.713 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.812 -7.778 -10.977 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -8.671 -8.220 -12.419 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -10.058 -7.109 -12.521 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -8.485 -6.633 -13.203 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -5.099 -6.051 -11.311 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -6.276 -6.022 -12.647 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -6.355 -4.792 -11.363 1.00 0.00 H new ATOM 112 N ASN A 7 -11.186 -5.483 -9.991 1.00 0.00 N ATOM 113 CA ASN A 7 -12.648 -5.467 -9.839 1.00 0.00 C ATOM 114 C ASN A 7 -13.065 -5.669 -8.373 1.00 0.00 C ATOM 115 O ASN A 7 -14.199 -6.054 -8.097 1.00 0.00 O ATOM 116 CB ASN A 7 -13.293 -6.548 -10.729 1.00 0.00 C ATOM 117 CG ASN A 7 -13.071 -7.980 -10.249 1.00 0.00 C ATOM 118 OD1 ASN A 7 -12.196 -8.249 -9.437 1.00 0.00 O ATOM 119 ND2 ASN A 7 -13.835 -8.931 -10.749 1.00 0.00 N ATOM 0 H ASN A 7 -10.722 -6.025 -9.262 1.00 0.00 H new ATOM 0 HA ASN A 7 -13.003 -4.486 -10.156 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -14.365 -6.360 -10.787 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -12.897 -6.452 -11.740 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -13.699 -9.900 -10.459 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -14.562 -8.698 -11.425 1.00 0.00 H new ATOM 126 N GLU A 8 -12.129 -5.463 -7.438 1.00 0.00 N ATOM 127 CA GLU A 8 -12.266 -5.570 -5.985 1.00 0.00 C ATOM 128 C GLU A 8 -12.342 -7.014 -5.481 1.00 0.00 C ATOM 129 O GLU A 8 -11.767 -7.309 -4.431 1.00 0.00 O ATOM 130 CB GLU A 8 -13.440 -4.706 -5.477 1.00 0.00 C ATOM 131 CG GLU A 8 -13.330 -4.373 -3.982 1.00 0.00 C ATOM 132 CD GLU A 8 -12.052 -3.582 -3.628 1.00 0.00 C ATOM 133 OE1 GLU A 8 -11.521 -2.834 -4.484 1.00 0.00 O ATOM 134 OE2 GLU A 8 -11.569 -3.715 -2.481 1.00 0.00 O ATOM 0 H GLU A 8 -11.181 -5.196 -7.702 1.00 0.00 H new ATOM 0 HA GLU A 8 -11.347 -5.172 -5.556 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -13.477 -3.779 -6.049 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -14.377 -5.231 -5.660 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -14.203 -3.795 -3.680 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -13.347 -5.299 -3.408 1.00 0.00 H new ATOM 141 N HIS A 9 -12.956 -7.938 -6.226 1.00 0.00 N ATOM 142 CA HIS A 9 -12.842 -9.366 -5.920 1.00 0.00 C ATOM 143 C HIS A 9 -11.406 -9.818 -6.196 1.00 0.00 C ATOM 144 O HIS A 9 -10.811 -10.536 -5.396 1.00 0.00 O ATOM 145 CB HIS A 9 -13.851 -10.159 -6.762 1.00 0.00 C ATOM 146 CG HIS A 9 -15.296 -9.762 -6.545 1.00 0.00 C ATOM 147 ND1 HIS A 9 -16.297 -9.824 -7.491 1.00 0.00 N ATOM 148 CD2 HIS A 9 -15.862 -9.260 -5.396 1.00 0.00 C ATOM 149 CE1 HIS A 9 -17.431 -9.371 -6.930 1.00 0.00 C ATOM 150 NE2 HIS A 9 -17.221 -9.028 -5.647 1.00 0.00 N ATOM 0 H HIS A 9 -13.533 -7.724 -7.040 1.00 0.00 H new ATOM 0 HA HIS A 9 -13.069 -9.548 -4.870 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -13.606 -10.031 -7.816 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -13.740 -11.220 -6.536 1.00 0.00 H new ATOM 0 HD1 HIS A 9 -16.195 -10.156 -8.450 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -15.349 -9.077 -4.464 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -18.380 -9.293 -7.439 1.00 0.00 H new ATOM 158 N THR A 10 -10.821 -9.288 -7.264 1.00 0.00 N ATOM 159 CA THR A 10 -9.418 -9.384 -7.589 1.00 0.00 C ATOM 160 C THR A 10 -8.808 -7.995 -7.405 1.00 0.00 C ATOM 161 O THR A 10 -9.377 -6.969 -7.798 1.00 0.00 O ATOM 162 CB THR A 10 -9.259 -9.924 -9.024 1.00 0.00 C ATOM 163 OG1 THR A 10 -9.943 -11.164 -9.136 1.00 0.00 O ATOM 164 CG2 THR A 10 -7.794 -10.151 -9.415 1.00 0.00 C ATOM 0 H THR A 10 -11.346 -8.754 -7.957 1.00 0.00 H new ATOM 0 HA THR A 10 -8.894 -10.082 -6.936 1.00 0.00 H new ATOM 0 HB THR A 10 -9.675 -9.172 -9.694 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.846 -11.510 -10.048 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.744 -10.531 -10.435 1.00 0.00 H new ATOM 0 HG22 THR A 10 -7.250 -9.208 -9.352 1.00 0.00 H new ATOM 0 HG23 THR A 10 -7.344 -10.875 -8.736 1.00 0.00 H new ATOM 172 N VAL A 11 -7.600 -7.978 -6.861 1.00 0.00 N ATOM 173 CA VAL A 11 -6.703 -6.834 -6.833 1.00 0.00 C ATOM 174 C VAL A 11 -5.373 -7.360 -7.366 1.00 0.00 C ATOM 175 O VAL A 11 -5.155 -8.572 -7.404 1.00 0.00 O ATOM 176 CB VAL A 11 -6.625 -6.227 -5.412 1.00 0.00 C ATOM 177 CG1 VAL A 11 -8.005 -5.726 -4.957 1.00 0.00 C ATOM 178 CG2 VAL A 11 -6.097 -7.206 -4.349 1.00 0.00 C ATOM 0 H VAL A 11 -7.201 -8.799 -6.407 1.00 0.00 H new ATOM 0 HA VAL A 11 -7.045 -6.004 -7.451 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.916 -5.403 -5.492 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -7.927 -5.303 -3.955 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -8.360 -4.961 -5.647 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -8.709 -6.558 -4.945 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -6.070 -6.710 -3.379 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -6.754 -8.074 -4.295 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.092 -7.529 -4.619 1.00 0.00 H new ATOM 188 N LYS A 12 -4.463 -6.495 -7.785 1.00 0.00 N ATOM 189 CA LYS A 12 -3.088 -6.912 -8.005 1.00 0.00 C ATOM 190 C LYS A 12 -2.145 -5.888 -7.416 1.00 0.00 C ATOM 191 O LYS A 12 -2.568 -4.820 -6.983 1.00 0.00 O ATOM 192 CB LYS A 12 -2.842 -7.247 -9.485 1.00 0.00 C ATOM 193 CG LYS A 12 -2.627 -6.093 -10.450 1.00 0.00 C ATOM 194 CD LYS A 12 -2.307 -6.675 -11.838 1.00 0.00 C ATOM 195 CE LYS A 12 -2.104 -5.526 -12.818 1.00 0.00 C ATOM 196 NZ LYS A 12 -1.507 -5.963 -14.106 1.00 0.00 N ATOM 0 H LYS A 12 -4.649 -5.511 -7.978 1.00 0.00 H new ATOM 0 HA LYS A 12 -2.886 -7.844 -7.478 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -1.968 -7.896 -9.540 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -3.693 -7.827 -9.842 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -3.518 -5.467 -10.497 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -1.810 -5.459 -10.107 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -1.410 -7.293 -11.790 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -3.120 -7.318 -12.174 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -3.064 -5.047 -13.012 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -1.460 -4.775 -12.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -1.314 -5.131 -14.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -0.618 -6.471 -13.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -2.170 -6.594 -14.600 1.00 0.00 H new ATOM 210 N PHE A 13 -0.866 -6.211 -7.412 1.00 0.00 N ATOM 211 CA PHE A 13 0.179 -5.265 -7.119 1.00 0.00 C ATOM 212 C PHE A 13 1.382 -5.600 -7.976 1.00 0.00 C ATOM 213 O PHE A 13 1.540 -6.735 -8.429 1.00 0.00 O ATOM 214 CB PHE A 13 0.513 -5.276 -5.625 1.00 0.00 C ATOM 215 CG PHE A 13 0.901 -6.592 -4.997 1.00 0.00 C ATOM 216 CD1 PHE A 13 -0.109 -7.406 -4.456 1.00 0.00 C ATOM 217 CD2 PHE A 13 2.254 -6.921 -4.809 1.00 0.00 C ATOM 218 CE1 PHE A 13 0.233 -8.501 -3.647 1.00 0.00 C ATOM 219 CE2 PHE A 13 2.597 -8.009 -3.986 1.00 0.00 C ATOM 220 CZ PHE A 13 1.582 -8.764 -3.369 1.00 0.00 C ATOM 0 H PHE A 13 -0.525 -7.151 -7.615 1.00 0.00 H new ATOM 0 HA PHE A 13 -0.149 -4.253 -7.355 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.330 -4.573 -5.460 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.353 -4.891 -5.086 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.147 -7.189 -4.662 1.00 0.00 H new ATOM 0 HD2 PHE A 13 3.026 -6.342 -5.294 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -0.539 -9.138 -3.241 1.00 0.00 H new ATOM 0 HE2 PHE A 13 3.635 -8.264 -3.828 1.00 0.00 H new ATOM 0 HZ PHE A 13 1.844 -9.551 -2.677 1.00 0.00 H new ATOM 230 N TYR A 14 2.270 -4.631 -8.139 1.00 0.00 N ATOM 231 CA TYR A 14 3.619 -4.846 -8.587 1.00 0.00 C ATOM 232 C TYR A 14 4.536 -4.376 -7.459 1.00 0.00 C ATOM 233 O TYR A 14 4.172 -3.506 -6.659 1.00 0.00 O ATOM 234 CB TYR A 14 3.822 -4.132 -9.922 1.00 0.00 C ATOM 235 CG TYR A 14 5.269 -4.107 -10.334 1.00 0.00 C ATOM 236 CD1 TYR A 14 5.859 -5.266 -10.862 1.00 0.00 C ATOM 237 CD2 TYR A 14 6.041 -2.966 -10.072 1.00 0.00 C ATOM 238 CE1 TYR A 14 7.227 -5.288 -11.169 1.00 0.00 C ATOM 239 CE2 TYR A 14 7.417 -2.977 -10.373 1.00 0.00 C ATOM 240 CZ TYR A 14 8.016 -4.136 -10.932 1.00 0.00 C ATOM 241 OH TYR A 14 9.347 -4.160 -11.236 1.00 0.00 O ATOM 0 H TYR A 14 2.057 -3.650 -7.956 1.00 0.00 H new ATOM 0 HA TYR A 14 3.851 -5.892 -8.786 1.00 0.00 H new ATOM 0 HB2 TYR A 14 3.234 -4.631 -10.693 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.449 -3.111 -9.847 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.256 -6.146 -11.033 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.584 -2.086 -9.643 1.00 0.00 H new ATOM 0 HE1 TYR A 14 7.676 -6.178 -11.584 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.018 -2.101 -10.178 1.00 0.00 H new ATOM 0 HH TYR A 14 9.748 -3.293 -11.016 1.00 0.00 H new ATOM 251 N MET A 15 5.696 -5.006 -7.351 1.00 0.00 N ATOM 252 CA MET A 15 6.592 -4.892 -6.221 1.00 0.00 C ATOM 253 C MET A 15 8.004 -4.959 -6.767 1.00 0.00 C ATOM 254 O MET A 15 8.487 -6.030 -7.127 1.00 0.00 O ATOM 255 CB MET A 15 6.326 -6.062 -5.268 1.00 0.00 C ATOM 256 CG MET A 15 7.013 -5.894 -3.932 1.00 0.00 C ATOM 257 SD MET A 15 6.465 -7.124 -2.727 1.00 0.00 S ATOM 258 CE MET A 15 6.427 -6.059 -1.270 1.00 0.00 C ATOM 0 H MET A 15 6.047 -5.632 -8.076 1.00 0.00 H new ATOM 0 HA MET A 15 6.446 -3.960 -5.675 1.00 0.00 H new ATOM 0 HB2 MET A 15 5.252 -6.159 -5.110 1.00 0.00 H new ATOM 0 HB3 MET A 15 6.665 -6.988 -5.732 1.00 0.00 H new ATOM 0 HG2 MET A 15 8.092 -5.975 -4.067 1.00 0.00 H new ATOM 0 HG3 MET A 15 6.814 -4.894 -3.545 1.00 0.00 H new ATOM 0 HE1 MET A 15 6.461 -6.673 -0.370 1.00 0.00 H new ATOM 0 HE2 MET A 15 7.287 -5.390 -1.286 1.00 0.00 H new ATOM 0 HE3 MET A 15 5.509 -5.471 -1.273 1.00 0.00 H new ATOM 268 N SER A 16 8.668 -3.819 -6.850 1.00 0.00 N ATOM 269 CA SER A 16 10.078 -3.791 -7.203 1.00 0.00 C ATOM 270 C SER A 16 10.862 -4.434 -6.058 1.00 0.00 C ATOM 271 O SER A 16 10.439 -4.365 -4.900 1.00 0.00 O ATOM 272 CB SER A 16 10.543 -2.350 -7.435 1.00 0.00 C ATOM 273 OG SER A 16 9.602 -1.609 -8.198 1.00 0.00 O ATOM 0 H SER A 16 8.255 -2.902 -6.678 1.00 0.00 H new ATOM 0 HA SER A 16 10.247 -4.343 -8.128 1.00 0.00 H new ATOM 0 HB2 SER A 16 10.699 -1.859 -6.474 1.00 0.00 H new ATOM 0 HB3 SER A 16 11.504 -2.356 -7.950 1.00 0.00 H new ATOM 0 HG SER A 16 9.102 -2.218 -8.781 1.00 0.00 H new ATOM 279 N TYR A 17 12.030 -5.005 -6.357 1.00 0.00 N ATOM 280 CA TYR A 17 12.900 -5.601 -5.341 1.00 0.00 C ATOM 281 C TYR A 17 13.217 -4.645 -4.190 1.00 0.00 C ATOM 282 O TYR A 17 13.338 -5.083 -3.050 1.00 0.00 O ATOM 283 CB TYR A 17 14.195 -6.120 -5.977 1.00 0.00 C ATOM 284 CG TYR A 17 14.025 -7.169 -7.062 1.00 0.00 C ATOM 285 CD1 TYR A 17 12.994 -8.131 -6.994 1.00 0.00 C ATOM 286 CD2 TYR A 17 14.916 -7.185 -8.150 1.00 0.00 C ATOM 287 CE1 TYR A 17 12.872 -9.105 -7.994 1.00 0.00 C ATOM 288 CE2 TYR A 17 14.789 -8.151 -9.162 1.00 0.00 C ATOM 289 CZ TYR A 17 13.770 -9.128 -9.082 1.00 0.00 C ATOM 290 OH TYR A 17 13.650 -10.099 -10.031 1.00 0.00 O ATOM 0 H TYR A 17 12.399 -5.067 -7.306 1.00 0.00 H new ATOM 0 HA TYR A 17 12.348 -6.437 -4.912 1.00 0.00 H new ATOM 0 HB2 TYR A 17 14.735 -5.272 -6.399 1.00 0.00 H new ATOM 0 HB3 TYR A 17 14.822 -6.538 -5.189 1.00 0.00 H new ATOM 0 HD1 TYR A 17 12.297 -8.116 -6.169 1.00 0.00 H new ATOM 0 HD2 TYR A 17 15.704 -6.449 -8.208 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.086 -9.843 -7.932 1.00 0.00 H new ATOM 0 HE2 TYR A 17 15.469 -8.147 -10.001 1.00 0.00 H new ATOM 0 HH TYR A 17 13.073 -9.779 -10.756 1.00 0.00 H new ATOM 300 N GLY A 18 13.288 -3.337 -4.443 1.00 0.00 N ATOM 301 CA GLY A 18 13.573 -2.364 -3.402 1.00 0.00 C ATOM 302 C GLY A 18 12.464 -2.245 -2.351 1.00 0.00 C ATOM 303 O GLY A 18 12.759 -1.905 -1.208 1.00 0.00 O ATOM 0 H GLY A 18 13.150 -2.931 -5.368 1.00 0.00 H new ATOM 0 HA2 GLY A 18 14.504 -2.638 -2.906 1.00 0.00 H new ATOM 0 HA3 GLY A 18 13.732 -1.389 -3.862 1.00 0.00 H new ATOM 307 N ASP A 19 11.204 -2.568 -2.674 1.00 0.00 N ATOM 308 CA ASP A 19 10.126 -2.578 -1.672 1.00 0.00 C ATOM 309 C ASP A 19 10.335 -3.744 -0.698 1.00 0.00 C ATOM 310 O ASP A 19 10.121 -3.624 0.504 1.00 0.00 O ATOM 311 CB ASP A 19 8.750 -2.699 -2.347 1.00 0.00 C ATOM 312 CG ASP A 19 7.614 -2.215 -1.432 1.00 0.00 C ATOM 313 OD1 ASP A 19 7.067 -3.022 -0.647 1.00 0.00 O ATOM 314 OD2 ASP A 19 7.211 -1.037 -1.572 1.00 0.00 O ATOM 0 H ASP A 19 10.906 -2.825 -3.615 1.00 0.00 H new ATOM 0 HA ASP A 19 10.156 -1.636 -1.124 1.00 0.00 H new ATOM 0 HB2 ASP A 19 8.746 -2.117 -3.268 1.00 0.00 H new ATOM 0 HB3 ASP A 19 8.573 -3.738 -2.626 1.00 0.00 H new ATOM 319 N ILE A 20 10.814 -4.874 -1.227 1.00 0.00 N ATOM 320 CA ILE A 20 11.146 -6.083 -0.480 1.00 0.00 C ATOM 321 C ILE A 20 12.375 -5.809 0.405 1.00 0.00 C ATOM 322 O ILE A 20 12.352 -6.109 1.601 1.00 0.00 O ATOM 323 CB ILE A 20 11.299 -7.238 -1.504 1.00 0.00 C ATOM 324 CG1 ILE A 20 9.910 -7.580 -2.093 1.00 0.00 C ATOM 325 CG2 ILE A 20 11.948 -8.496 -0.921 1.00 0.00 C ATOM 326 CD1 ILE A 20 9.941 -8.008 -3.565 1.00 0.00 C ATOM 0 H ILE A 20 10.987 -4.972 -2.228 1.00 0.00 H new ATOM 0 HA ILE A 20 10.365 -6.388 0.216 1.00 0.00 H new ATOM 0 HB ILE A 20 11.975 -6.886 -2.283 1.00 0.00 H new ATOM 0 HG12 ILE A 20 9.464 -8.381 -1.503 1.00 0.00 H new ATOM 0 HG13 ILE A 20 9.261 -6.710 -1.992 1.00 0.00 H new ATOM 0 HG21 ILE A 20 12.022 -9.260 -1.695 1.00 0.00 H new ATOM 0 HG22 ILE A 20 12.945 -8.254 -0.554 1.00 0.00 H new ATOM 0 HG23 ILE A 20 11.340 -8.871 -0.098 1.00 0.00 H new ATOM 0 HD11 ILE A 20 8.928 -8.230 -3.901 1.00 0.00 H new ATOM 0 HD12 ILE A 20 10.355 -7.201 -4.170 1.00 0.00 H new ATOM 0 HD13 ILE A 20 10.562 -8.897 -3.672 1.00 0.00 H new ATOM 338 N GLU A 21 13.396 -5.154 -0.152 1.00 0.00 N ATOM 339 CA GLU A 21 14.595 -4.715 0.568 1.00 0.00 C ATOM 340 C GLU A 21 14.241 -3.781 1.726 1.00 0.00 C ATOM 341 O GLU A 21 14.860 -3.854 2.786 1.00 0.00 O ATOM 342 CB GLU A 21 15.532 -3.957 -0.373 1.00 0.00 C ATOM 343 CG GLU A 21 16.167 -4.846 -1.438 1.00 0.00 C ATOM 344 CD GLU A 21 17.574 -5.337 -1.050 1.00 0.00 C ATOM 345 OE1 GLU A 21 17.734 -5.998 0.004 1.00 0.00 O ATOM 346 OE2 GLU A 21 18.540 -5.064 -1.807 1.00 0.00 O ATOM 0 H GLU A 21 13.413 -4.908 -1.142 1.00 0.00 H new ATOM 0 HA GLU A 21 15.080 -5.611 0.956 1.00 0.00 H new ATOM 0 HB2 GLU A 21 14.976 -3.157 -0.862 1.00 0.00 H new ATOM 0 HB3 GLU A 21 16.320 -3.485 0.213 1.00 0.00 H new ATOM 0 HG2 GLU A 21 15.523 -5.708 -1.615 1.00 0.00 H new ATOM 0 HG3 GLU A 21 16.226 -4.294 -2.376 1.00 0.00 H new ATOM 353 N ASP A 22 13.263 -2.893 1.527 1.00 0.00 N ATOM 354 CA ASP A 22 12.849 -1.909 2.536 1.00 0.00 C ATOM 355 C ASP A 22 12.302 -2.583 3.789 1.00 0.00 C ATOM 356 O ASP A 22 12.608 -2.191 4.918 1.00 0.00 O ATOM 357 CB ASP A 22 11.754 -0.994 1.997 1.00 0.00 C ATOM 358 CG ASP A 22 11.500 0.169 2.971 1.00 0.00 C ATOM 359 OD1 ASP A 22 12.371 1.067 3.080 1.00 0.00 O ATOM 360 OD2 ASP A 22 10.423 0.205 3.614 1.00 0.00 O ATOM 0 H ASP A 22 12.732 -2.835 0.658 1.00 0.00 H new ATOM 0 HA ASP A 22 13.742 -1.334 2.781 1.00 0.00 H new ATOM 0 HB2 ASP A 22 12.045 -0.603 1.022 1.00 0.00 H new ATOM 0 HB3 ASP A 22 10.835 -1.562 1.851 1.00 0.00 H new ATOM 365 N ARG A 23 11.520 -3.644 3.574 1.00 0.00 N ATOM 366 CA ARG A 23 10.996 -4.518 4.611 1.00 0.00 C ATOM 367 C ARG A 23 12.117 -5.339 5.267 1.00 0.00 C ATOM 368 O ARG A 23 11.900 -5.946 6.315 1.00 0.00 O ATOM 369 CB ARG A 23 9.927 -5.394 3.979 1.00 0.00 C ATOM 370 CG ARG A 23 8.749 -4.625 3.371 1.00 0.00 C ATOM 371 CD ARG A 23 8.161 -5.451 2.229 1.00 0.00 C ATOM 372 NE ARG A 23 7.102 -4.715 1.552 1.00 0.00 N ATOM 373 CZ ARG A 23 5.800 -4.785 1.808 1.00 0.00 C ATOM 374 NH1 ARG A 23 5.313 -5.626 2.717 1.00 0.00 N ATOM 375 NH2 ARG A 23 5.016 -3.979 1.103 1.00 0.00 N ATOM 0 H ARG A 23 11.228 -3.923 2.637 1.00 0.00 H new ATOM 0 HA ARG A 23 10.552 -3.933 5.417 1.00 0.00 H new ATOM 0 HB2 ARG A 23 10.388 -6.002 3.200 1.00 0.00 H new ATOM 0 HB3 ARG A 23 9.545 -6.080 4.735 1.00 0.00 H new ATOM 0 HG2 ARG A 23 7.990 -4.435 4.130 1.00 0.00 H new ATOM 0 HG3 ARG A 23 9.081 -3.654 3.003 1.00 0.00 H new ATOM 0 HD2 ARG A 23 8.946 -5.706 1.517 1.00 0.00 H new ATOM 0 HD3 ARG A 23 7.767 -6.390 2.618 1.00 0.00 H new ATOM 0 HE ARG A 23 7.389 -4.082 0.806 1.00 0.00 H new ATOM 0 HH11 ARG A 23 5.944 -6.237 3.236 1.00 0.00 H new ATOM 0 HH12 ARG A 23 4.309 -5.660 2.894 1.00 0.00 H new ATOM 0 HH21 ARG A 23 5.422 -3.351 0.409 1.00 0.00 H new ATOM 0 HH22 ARG A 23 4.007 -3.987 1.255 1.00 0.00 H new ATOM 389 N GLY A 24 13.309 -5.336 4.670 1.00 0.00 N ATOM 390 CA GLY A 24 14.486 -6.051 5.129 1.00 0.00 C ATOM 391 C GLY A 24 14.552 -7.471 4.571 1.00 0.00 C ATOM 392 O GLY A 24 15.451 -8.233 4.938 1.00 0.00 O ATOM 0 H GLY A 24 13.482 -4.809 3.814 1.00 0.00 H new ATOM 0 HA2 GLY A 24 15.381 -5.504 4.832 1.00 0.00 H new ATOM 0 HA3 GLY A 24 14.484 -6.090 6.218 1.00 0.00 H new ATOM 396 N PHE A 25 13.597 -7.837 3.715 1.00 0.00 N ATOM 397 CA PHE A 25 13.493 -9.149 3.101 1.00 0.00 C ATOM 398 C PHE A 25 14.266 -9.173 1.774 1.00 0.00 C ATOM 399 O PHE A 25 14.911 -8.190 1.395 1.00 0.00 O ATOM 400 CB PHE A 25 11.997 -9.498 2.995 1.00 0.00 C ATOM 401 CG PHE A 25 11.299 -9.405 4.344 1.00 0.00 C ATOM 402 CD1 PHE A 25 11.845 -10.091 5.447 1.00 0.00 C ATOM 403 CD2 PHE A 25 10.188 -8.560 4.544 1.00 0.00 C ATOM 404 CE1 PHE A 25 11.334 -9.892 6.736 1.00 0.00 C ATOM 405 CE2 PHE A 25 9.650 -8.404 5.831 1.00 0.00 C ATOM 406 CZ PHE A 25 10.230 -9.050 6.934 1.00 0.00 C ATOM 0 H PHE A 25 12.853 -7.203 3.424 1.00 0.00 H new ATOM 0 HA PHE A 25 13.961 -9.929 3.702 1.00 0.00 H new ATOM 0 HB2 PHE A 25 11.515 -8.822 2.289 1.00 0.00 H new ATOM 0 HB3 PHE A 25 11.886 -10.507 2.597 1.00 0.00 H new ATOM 0 HD1 PHE A 25 12.666 -10.777 5.297 1.00 0.00 H new ATOM 0 HD2 PHE A 25 9.752 -8.034 3.708 1.00 0.00 H new ATOM 0 HE1 PHE A 25 11.791 -10.388 7.579 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.780 -7.780 5.974 1.00 0.00 H new ATOM 0 HZ PHE A 25 9.830 -8.900 7.926 1.00 0.00 H new ATOM 416 N ASP A 26 14.232 -10.311 1.078 1.00 0.00 N ATOM 417 CA ASP A 26 14.963 -10.534 -0.171 1.00 0.00 C ATOM 418 C ASP A 26 14.036 -11.269 -1.123 1.00 0.00 C ATOM 419 O ASP A 26 13.137 -11.976 -0.665 1.00 0.00 O ATOM 420 CB ASP A 26 16.228 -11.368 0.073 1.00 0.00 C ATOM 421 CG ASP A 26 17.357 -10.978 -0.897 1.00 0.00 C ATOM 422 OD1 ASP A 26 17.092 -10.824 -2.114 1.00 0.00 O ATOM 423 OD2 ASP A 26 18.519 -10.842 -0.444 1.00 0.00 O ATOM 0 H ASP A 26 13.685 -11.120 1.373 1.00 0.00 H new ATOM 0 HA ASP A 26 15.275 -9.578 -0.592 1.00 0.00 H new ATOM 0 HB2 ASP A 26 16.565 -11.228 1.100 1.00 0.00 H new ATOM 0 HB3 ASP A 26 15.995 -12.426 -0.045 1.00 0.00 H new ATOM 428 N ARG A 27 14.223 -11.124 -2.434 1.00 0.00 N ATOM 429 CA ARG A 27 13.257 -11.636 -3.408 1.00 0.00 C ATOM 430 C ARG A 27 13.079 -13.148 -3.313 1.00 0.00 C ATOM 431 O ARG A 27 11.983 -13.630 -3.573 1.00 0.00 O ATOM 432 CB ARG A 27 13.620 -11.171 -4.832 1.00 0.00 C ATOM 433 CG ARG A 27 14.915 -11.791 -5.386 1.00 0.00 C ATOM 434 CD ARG A 27 15.230 -11.283 -6.796 1.00 0.00 C ATOM 435 NE ARG A 27 16.478 -11.893 -7.297 1.00 0.00 N ATOM 436 CZ ARG A 27 16.726 -12.325 -8.541 1.00 0.00 C ATOM 437 NH1 ARG A 27 15.826 -12.187 -9.513 1.00 0.00 N ATOM 438 NH2 ARG A 27 17.894 -12.900 -8.808 1.00 0.00 N ATOM 0 H ARG A 27 15.031 -10.658 -2.846 1.00 0.00 H new ATOM 0 HA ARG A 27 12.284 -11.211 -3.162 1.00 0.00 H new ATOM 0 HB2 ARG A 27 12.797 -11.416 -5.503 1.00 0.00 H new ATOM 0 HB3 ARG A 27 13.720 -10.086 -4.833 1.00 0.00 H new ATOM 0 HG2 ARG A 27 15.745 -11.554 -4.720 1.00 0.00 H new ATOM 0 HG3 ARG A 27 14.820 -12.877 -5.403 1.00 0.00 H new ATOM 0 HD2 ARG A 27 14.406 -11.522 -7.468 1.00 0.00 H new ATOM 0 HD3 ARG A 27 15.327 -10.197 -6.785 1.00 0.00 H new ATOM 0 HE ARG A 27 17.235 -11.997 -6.621 1.00 0.00 H new ATOM 0 HH11 ARG A 27 14.928 -11.745 -9.317 1.00 0.00 H new ATOM 0 HH12 ARG A 27 16.035 -12.523 -10.453 1.00 0.00 H new ATOM 0 HH21 ARG A 27 18.590 -13.008 -8.070 1.00 0.00 H new ATOM 0 HH22 ARG A 27 18.095 -13.233 -9.751 1.00 0.00 H new ATOM 452 N GLU A 28 14.127 -13.889 -2.942 1.00 0.00 N ATOM 453 CA GLU A 28 14.010 -15.316 -2.666 1.00 0.00 C ATOM 454 C GLU A 28 13.487 -15.519 -1.244 1.00 0.00 C ATOM 455 O GLU A 28 12.574 -16.309 -1.037 1.00 0.00 O ATOM 456 CB GLU A 28 15.363 -16.011 -2.844 1.00 0.00 C ATOM 457 CG GLU A 28 15.817 -16.016 -4.306 1.00 0.00 C ATOM 458 CD GLU A 28 17.117 -16.820 -4.495 1.00 0.00 C ATOM 459 OE1 GLU A 28 18.221 -16.258 -4.291 1.00 0.00 O ATOM 460 OE2 GLU A 28 17.048 -18.016 -4.869 1.00 0.00 O ATOM 0 H GLU A 28 15.070 -13.517 -2.827 1.00 0.00 H new ATOM 0 HA GLU A 28 13.308 -15.759 -3.372 1.00 0.00 H new ATOM 0 HB2 GLU A 28 16.112 -15.507 -2.233 1.00 0.00 H new ATOM 0 HB3 GLU A 28 15.294 -17.037 -2.482 1.00 0.00 H new ATOM 0 HG2 GLU A 28 15.031 -16.442 -4.930 1.00 0.00 H new ATOM 0 HG3 GLU A 28 15.971 -14.991 -4.643 1.00 0.00 H new ATOM 467 N GLU A 29 14.044 -14.803 -0.266 1.00 0.00 N ATOM 468 CA GLU A 29 13.770 -15.009 1.158 1.00 0.00 C ATOM 469 C GLU A 29 12.289 -14.892 1.496 1.00 0.00 C ATOM 470 O GLU A 29 11.803 -15.648 2.339 1.00 0.00 O ATOM 471 CB GLU A 29 14.570 -13.992 1.982 1.00 0.00 C ATOM 472 CG GLU A 29 16.061 -14.311 2.054 1.00 0.00 C ATOM 473 CD GLU A 29 16.409 -15.254 3.226 1.00 0.00 C ATOM 474 OE1 GLU A 29 15.958 -16.425 3.236 1.00 0.00 O ATOM 475 OE2 GLU A 29 17.147 -14.827 4.147 1.00 0.00 O ATOM 0 H GLU A 29 14.710 -14.051 -0.444 1.00 0.00 H new ATOM 0 HA GLU A 29 14.074 -16.026 1.404 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.438 -13.000 1.549 1.00 0.00 H new ATOM 0 HB3 GLU A 29 14.164 -13.955 2.993 1.00 0.00 H new ATOM 0 HG2 GLU A 29 16.377 -14.770 1.117 1.00 0.00 H new ATOM 0 HG3 GLU A 29 16.623 -13.383 2.160 1.00 0.00 H new ATOM 482 N ILE A 30 11.594 -13.986 0.812 1.00 0.00 N ATOM 483 CA ILE A 30 10.130 -13.861 0.841 1.00 0.00 C ATOM 484 C ILE A 30 9.497 -15.259 0.731 1.00 0.00 C ATOM 485 O ILE A 30 8.716 -15.649 1.596 1.00 0.00 O ATOM 486 CB ILE A 30 9.652 -12.891 -0.274 1.00 0.00 C ATOM 487 CG1 ILE A 30 10.114 -11.443 0.010 1.00 0.00 C ATOM 488 CG2 ILE A 30 8.129 -12.886 -0.530 1.00 0.00 C ATOM 489 CD1 ILE A 30 9.155 -10.580 0.850 1.00 0.00 C ATOM 0 H ILE A 30 12.041 -13.298 0.205 1.00 0.00 H new ATOM 0 HA ILE A 30 9.806 -13.429 1.788 1.00 0.00 H new ATOM 0 HB ILE A 30 10.119 -13.279 -1.179 1.00 0.00 H new ATOM 0 HG12 ILE A 30 11.076 -11.484 0.521 1.00 0.00 H new ATOM 0 HG13 ILE A 30 10.280 -10.942 -0.944 1.00 0.00 H new ATOM 0 HG21 ILE A 30 7.896 -12.178 -1.325 1.00 0.00 H new ATOM 0 HG22 ILE A 30 7.807 -13.884 -0.827 1.00 0.00 H new ATOM 0 HG23 ILE A 30 7.608 -12.593 0.381 1.00 0.00 H new ATOM 0 HD11 ILE A 30 9.583 -9.587 0.985 1.00 0.00 H new ATOM 0 HD12 ILE A 30 8.197 -10.496 0.337 1.00 0.00 H new ATOM 0 HD13 ILE A 30 9.005 -11.046 1.824 1.00 0.00 H new ATOM 501 N TRP A 31 9.861 -16.040 -0.286 1.00 0.00 N ATOM 502 CA TRP A 31 9.255 -17.342 -0.579 1.00 0.00 C ATOM 503 C TRP A 31 9.686 -18.464 0.366 1.00 0.00 C ATOM 504 O TRP A 31 9.017 -19.501 0.411 1.00 0.00 O ATOM 505 CB TRP A 31 9.574 -17.739 -2.024 1.00 0.00 C ATOM 506 CG TRP A 31 9.227 -16.670 -3.006 1.00 0.00 C ATOM 507 CD1 TRP A 31 10.102 -16.051 -3.825 1.00 0.00 C ATOM 508 CD2 TRP A 31 7.959 -15.966 -3.161 1.00 0.00 C ATOM 509 NE1 TRP A 31 9.489 -14.965 -4.414 1.00 0.00 N ATOM 510 CE2 TRP A 31 8.193 -14.816 -3.969 1.00 0.00 C ATOM 511 CE3 TRP A 31 6.654 -16.139 -2.648 1.00 0.00 C ATOM 512 CZ2 TRP A 31 7.214 -13.834 -4.161 1.00 0.00 C ATOM 513 CZ3 TRP A 31 5.640 -15.200 -2.911 1.00 0.00 C ATOM 514 CH2 TRP A 31 5.923 -14.035 -3.645 1.00 0.00 C ATOM 0 H TRP A 31 10.598 -15.782 -0.942 1.00 0.00 H new ATOM 0 HA TRP A 31 8.182 -17.218 -0.430 1.00 0.00 H new ATOM 0 HB2 TRP A 31 10.636 -17.971 -2.106 1.00 0.00 H new ATOM 0 HB3 TRP A 31 9.028 -18.648 -2.275 1.00 0.00 H new ATOM 0 HD1 TRP A 31 11.124 -16.358 -3.993 1.00 0.00 H new ATOM 0 HE1 TRP A 31 9.938 -14.350 -5.093 1.00 0.00 H new ATOM 0 HE3 TRP A 31 6.431 -17.006 -2.044 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 7.449 -12.929 -4.702 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 4.638 -15.375 -2.547 1.00 0.00 H new ATOM 0 HH2 TRP A 31 5.151 -13.298 -3.811 1.00 0.00 H new ATOM 525 N TYR A 32 10.780 -18.288 1.111 1.00 0.00 N ATOM 526 CA TYR A 32 11.456 -19.378 1.818 1.00 0.00 C ATOM 527 C TYR A 32 11.401 -19.207 3.343 1.00 0.00 C ATOM 528 O TYR A 32 12.033 -19.965 4.082 1.00 0.00 O ATOM 529 CB TYR A 32 12.874 -19.539 1.241 1.00 0.00 C ATOM 530 CG TYR A 32 12.901 -19.905 -0.233 1.00 0.00 C ATOM 531 CD1 TYR A 32 12.203 -21.043 -0.682 1.00 0.00 C ATOM 532 CD2 TYR A 32 13.602 -19.113 -1.162 1.00 0.00 C ATOM 533 CE1 TYR A 32 12.183 -21.374 -2.047 1.00 0.00 C ATOM 534 CE2 TYR A 32 13.554 -19.416 -2.533 1.00 0.00 C ATOM 535 CZ TYR A 32 12.848 -20.550 -2.988 1.00 0.00 C ATOM 536 OH TYR A 32 12.821 -20.840 -4.321 1.00 0.00 O ATOM 0 H TYR A 32 11.224 -17.379 1.241 1.00 0.00 H new ATOM 0 HA TYR A 32 10.927 -20.316 1.649 1.00 0.00 H new ATOM 0 HB2 TYR A 32 13.422 -18.608 1.384 1.00 0.00 H new ATOM 0 HB3 TYR A 32 13.400 -20.308 1.806 1.00 0.00 H new ATOM 0 HD1 TYR A 32 11.679 -21.666 0.028 1.00 0.00 H new ATOM 0 HD2 TYR A 32 14.180 -18.268 -0.819 1.00 0.00 H new ATOM 0 HE1 TYR A 32 11.660 -22.258 -2.380 1.00 0.00 H new ATOM 0 HE2 TYR A 32 14.060 -18.778 -3.242 1.00 0.00 H new ATOM 0 HH TYR A 32 13.331 -20.163 -4.813 1.00 0.00 H new ATOM 546 N ASN A 33 10.619 -18.237 3.828 1.00 0.00 N ATOM 547 CA ASN A 33 10.404 -17.916 5.229 1.00 0.00 C ATOM 548 C ASN A 33 8.925 -17.542 5.344 1.00 0.00 C ATOM 549 O ASN A 33 8.583 -16.398 5.057 1.00 0.00 O ATOM 550 CB ASN A 33 11.285 -16.710 5.587 1.00 0.00 C ATOM 551 CG ASN A 33 12.773 -17.009 5.563 1.00 0.00 C ATOM 552 OD1 ASN A 33 13.354 -17.519 6.520 1.00 0.00 O ATOM 553 ND2 ASN A 33 13.402 -16.673 4.452 1.00 0.00 N ATOM 0 H ASN A 33 10.090 -17.622 3.209 1.00 0.00 H new ATOM 0 HA ASN A 33 10.654 -18.740 5.897 1.00 0.00 H new ATOM 0 HB2 ASN A 33 11.076 -15.899 4.889 1.00 0.00 H new ATOM 0 HB3 ASN A 33 11.011 -16.354 6.580 1.00 0.00 H new ATOM 0 HD21 ASN A 33 14.405 -16.834 4.365 1.00 0.00 H new ATOM 0 HD22 ASN A 33 12.885 -16.252 3.680 1.00 0.00 H new ATOM 560 N ARG A 34 8.025 -18.488 5.657 1.00 0.00 N ATOM 561 CA ARG A 34 6.577 -18.280 5.505 1.00 0.00 C ATOM 562 C ARG A 34 6.095 -16.984 6.163 1.00 0.00 C ATOM 563 O ARG A 34 5.334 -16.228 5.559 1.00 0.00 O ATOM 564 CB ARG A 34 5.787 -19.491 6.039 1.00 0.00 C ATOM 565 CG ARG A 34 4.275 -19.222 5.987 1.00 0.00 C ATOM 566 CD ARG A 34 3.415 -20.418 6.390 1.00 0.00 C ATOM 567 NE ARG A 34 2.034 -19.960 6.604 1.00 0.00 N ATOM 568 CZ ARG A 34 0.941 -20.685 6.842 1.00 0.00 C ATOM 569 NH1 ARG A 34 0.987 -22.016 6.905 1.00 0.00 N ATOM 570 NH2 ARG A 34 -0.197 -20.024 7.013 1.00 0.00 N ATOM 0 H ARG A 34 8.277 -19.408 6.018 1.00 0.00 H new ATOM 0 HA ARG A 34 6.386 -18.182 4.436 1.00 0.00 H new ATOM 0 HB2 ARG A 34 6.024 -20.375 5.447 1.00 0.00 H new ATOM 0 HB3 ARG A 34 6.088 -19.704 7.065 1.00 0.00 H new ATOM 0 HG2 ARG A 34 4.043 -18.384 6.644 1.00 0.00 H new ATOM 0 HG3 ARG A 34 4.005 -18.919 4.975 1.00 0.00 H new ATOM 0 HD2 ARG A 34 3.443 -21.182 5.613 1.00 0.00 H new ATOM 0 HD3 ARG A 34 3.806 -20.874 7.299 1.00 0.00 H new ATOM 0 HE ARG A 34 1.893 -18.950 6.565 1.00 0.00 H new ATOM 0 HH11 ARG A 34 1.873 -22.503 6.770 1.00 0.00 H new ATOM 0 HH12 ARG A 34 0.136 -22.548 7.089 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -0.208 -19.005 6.960 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -1.061 -20.535 7.198 1.00 0.00 H new ATOM 584 N GLU A 35 6.508 -16.715 7.399 1.00 0.00 N ATOM 585 CA GLU A 35 6.039 -15.542 8.124 1.00 0.00 C ATOM 586 C GLU A 35 6.543 -14.245 7.481 1.00 0.00 C ATOM 587 O GLU A 35 5.951 -13.179 7.660 1.00 0.00 O ATOM 588 CB GLU A 35 6.394 -15.629 9.620 1.00 0.00 C ATOM 589 CG GLU A 35 7.892 -15.677 9.969 1.00 0.00 C ATOM 590 CD GLU A 35 8.505 -17.081 9.798 1.00 0.00 C ATOM 591 OE1 GLU A 35 8.928 -17.426 8.669 1.00 0.00 O ATOM 592 OE2 GLU A 35 8.558 -17.846 10.793 1.00 0.00 O ATOM 0 H GLU A 35 7.167 -17.295 7.918 1.00 0.00 H new ATOM 0 HA GLU A 35 4.951 -15.523 8.057 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.953 -14.770 10.126 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.919 -16.519 10.032 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.430 -14.972 9.335 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.030 -15.349 10.999 1.00 0.00 H new ATOM 599 N ARG A 36 7.623 -14.325 6.703 1.00 0.00 N ATOM 600 CA ARG A 36 8.219 -13.214 5.990 1.00 0.00 C ATOM 601 C ARG A 36 7.783 -13.185 4.528 1.00 0.00 C ATOM 602 O ARG A 36 8.108 -12.226 3.835 1.00 0.00 O ATOM 603 CB ARG A 36 9.733 -13.329 6.086 1.00 0.00 C ATOM 604 CG ARG A 36 10.308 -13.344 7.510 1.00 0.00 C ATOM 605 CD ARG A 36 9.622 -12.395 8.512 1.00 0.00 C ATOM 606 NE ARG A 36 10.235 -12.495 9.847 1.00 0.00 N ATOM 607 CZ ARG A 36 9.800 -11.903 10.969 1.00 0.00 C ATOM 608 NH1 ARG A 36 8.706 -11.142 10.959 1.00 0.00 N ATOM 609 NH2 ARG A 36 10.461 -12.082 12.109 1.00 0.00 N ATOM 0 H ARG A 36 8.120 -15.203 6.552 1.00 0.00 H new ATOM 0 HA ARG A 36 7.882 -12.283 6.445 1.00 0.00 H new ATOM 0 HB2 ARG A 36 10.043 -14.242 5.579 1.00 0.00 H new ATOM 0 HB3 ARG A 36 10.178 -12.496 5.542 1.00 0.00 H new ATOM 0 HG2 ARG A 36 10.245 -14.361 7.898 1.00 0.00 H new ATOM 0 HG3 ARG A 36 11.366 -13.087 7.459 1.00 0.00 H new ATOM 0 HD2 ARG A 36 9.694 -11.369 8.152 1.00 0.00 H new ATOM 0 HD3 ARG A 36 8.561 -12.636 8.577 1.00 0.00 H new ATOM 0 HE ARG A 36 11.073 -13.071 9.926 1.00 0.00 H new ATOM 0 HH11 ARG A 36 8.189 -11.004 10.091 1.00 0.00 H new ATOM 0 HH12 ARG A 36 8.386 -10.698 11.820 1.00 0.00 H new ATOM 0 HH21 ARG A 36 11.296 -12.668 12.128 1.00 0.00 H new ATOM 0 HH22 ARG A 36 10.133 -11.633 12.964 1.00 0.00 H new ATOM 623 N SER A 37 7.044 -14.184 4.053 1.00 0.00 N ATOM 624 CA SER A 37 6.162 -13.982 2.915 1.00 0.00 C ATOM 625 C SER A 37 4.925 -13.244 3.412 1.00 0.00 C ATOM 626 O SER A 37 4.552 -12.238 2.827 1.00 0.00 O ATOM 627 CB SER A 37 5.746 -15.283 2.207 1.00 0.00 C ATOM 628 OG SER A 37 6.454 -16.423 2.649 1.00 0.00 O ATOM 0 H SER A 37 7.040 -15.130 4.435 1.00 0.00 H new ATOM 0 HA SER A 37 6.709 -13.406 2.169 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.680 -15.446 2.363 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.897 -15.166 1.134 1.00 0.00 H new ATOM 0 HG SER A 37 7.283 -16.513 2.134 1.00 0.00 H new ATOM 634 N GLU A 38 4.300 -13.723 4.494 1.00 0.00 N ATOM 635 CA GLU A 38 3.000 -13.259 4.973 1.00 0.00 C ATOM 636 C GLU A 38 2.963 -11.749 5.230 1.00 0.00 C ATOM 637 O GLU A 38 1.927 -11.137 4.979 1.00 0.00 O ATOM 638 CB GLU A 38 2.595 -14.058 6.223 1.00 0.00 C ATOM 639 CG GLU A 38 1.928 -15.379 5.809 1.00 0.00 C ATOM 640 CD GLU A 38 1.632 -16.351 6.970 1.00 0.00 C ATOM 641 OE1 GLU A 38 2.114 -16.150 8.109 1.00 0.00 O ATOM 642 OE2 GLU A 38 0.925 -17.362 6.727 1.00 0.00 O ATOM 0 H GLU A 38 4.698 -14.463 5.073 1.00 0.00 H new ATOM 0 HA GLU A 38 2.271 -13.439 4.183 1.00 0.00 H new ATOM 0 HB2 GLU A 38 3.474 -14.261 6.835 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.909 -13.471 6.834 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.993 -15.152 5.298 1.00 0.00 H new ATOM 0 HG3 GLU A 38 2.571 -15.883 5.088 1.00 0.00 H new ATOM 649 N GLU A 39 4.072 -11.136 5.655 1.00 0.00 N ATOM 650 CA GLU A 39 4.186 -9.690 5.827 1.00 0.00 C ATOM 651 C GLU A 39 3.780 -8.930 4.557 1.00 0.00 C ATOM 652 O GLU A 39 3.147 -7.877 4.632 1.00 0.00 O ATOM 653 CB GLU A 39 5.635 -9.369 6.248 1.00 0.00 C ATOM 654 CG GLU A 39 6.666 -9.669 5.151 1.00 0.00 C ATOM 655 CD GLU A 39 6.842 -8.512 4.128 1.00 0.00 C ATOM 656 OE1 GLU A 39 6.599 -7.326 4.469 1.00 0.00 O ATOM 657 OE2 GLU A 39 7.189 -8.781 2.956 1.00 0.00 O ATOM 0 H GLU A 39 4.926 -11.640 5.892 1.00 0.00 H new ATOM 0 HA GLU A 39 3.497 -9.359 6.604 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.702 -8.316 6.522 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.884 -9.946 7.139 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.629 -9.880 5.617 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.365 -10.571 4.618 1.00 0.00 H new ATOM 664 N LEU A 40 4.121 -9.484 3.394 1.00 0.00 N ATOM 665 CA LEU A 40 3.830 -8.904 2.101 1.00 0.00 C ATOM 666 C LEU A 40 2.313 -8.769 1.979 1.00 0.00 C ATOM 667 O LEU A 40 1.773 -7.672 1.823 1.00 0.00 O ATOM 668 CB LEU A 40 4.413 -9.790 0.981 1.00 0.00 C ATOM 669 CG LEU A 40 4.529 -9.159 -0.421 1.00 0.00 C ATOM 670 CD1 LEU A 40 4.431 -10.264 -1.472 1.00 0.00 C ATOM 671 CD2 LEU A 40 3.532 -8.034 -0.706 1.00 0.00 C ATOM 0 H LEU A 40 4.620 -10.372 3.333 1.00 0.00 H new ATOM 0 HA LEU A 40 4.289 -7.920 2.004 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.406 -10.116 1.289 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.795 -10.684 0.900 1.00 0.00 H new ATOM 0 HG LEU A 40 5.502 -8.670 -0.464 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.512 -9.828 -2.467 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.239 -10.980 -1.323 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.472 -10.773 -1.376 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.691 -7.654 -1.715 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.516 -8.418 -0.619 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.678 -7.228 0.013 1.00 0.00 H new ATOM 683 N PHE A 41 1.638 -9.910 2.087 1.00 0.00 N ATOM 684 CA PHE A 41 0.213 -10.059 1.866 1.00 0.00 C ATOM 685 C PHE A 41 -0.569 -9.261 2.900 1.00 0.00 C ATOM 686 O PHE A 41 -1.543 -8.590 2.560 1.00 0.00 O ATOM 687 CB PHE A 41 -0.140 -11.549 1.871 1.00 0.00 C ATOM 688 CG PHE A 41 0.674 -12.275 0.820 1.00 0.00 C ATOM 689 CD1 PHE A 41 1.928 -12.799 1.168 1.00 0.00 C ATOM 690 CD2 PHE A 41 0.272 -12.259 -0.527 1.00 0.00 C ATOM 691 CE1 PHE A 41 2.786 -13.312 0.183 1.00 0.00 C ATOM 692 CE2 PHE A 41 1.124 -12.787 -1.512 1.00 0.00 C ATOM 693 CZ PHE A 41 2.379 -13.315 -1.162 1.00 0.00 C ATOM 0 H PHE A 41 2.092 -10.787 2.341 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.065 -9.655 0.892 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.057 -11.975 2.855 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.204 -11.680 1.674 1.00 0.00 H new ATOM 0 HD1 PHE A 41 2.236 -12.808 2.203 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.686 -11.843 -0.803 1.00 0.00 H new ATOM 0 HE1 PHE A 41 3.755 -13.703 0.457 1.00 0.00 H new ATOM 0 HE2 PHE A 41 0.812 -12.787 -2.546 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.028 -13.721 -1.924 1.00 0.00 H new ATOM 703 N TRP A 42 -0.113 -9.271 4.152 1.00 0.00 N ATOM 704 CA TRP A 42 -0.699 -8.447 5.190 1.00 0.00 C ATOM 705 C TRP A 42 -0.595 -6.950 4.877 1.00 0.00 C ATOM 706 O TRP A 42 -1.565 -6.241 5.142 1.00 0.00 O ATOM 707 CB TRP A 42 -0.115 -8.847 6.551 1.00 0.00 C ATOM 708 CG TRP A 42 -0.880 -9.985 7.159 1.00 0.00 C ATOM 709 CD1 TRP A 42 -0.470 -11.272 7.249 1.00 0.00 C ATOM 710 CD2 TRP A 42 -2.259 -9.980 7.648 1.00 0.00 C ATOM 711 NE1 TRP A 42 -1.475 -12.048 7.788 1.00 0.00 N ATOM 712 CE2 TRP A 42 -2.617 -11.309 8.020 1.00 0.00 C ATOM 713 CE3 TRP A 42 -3.258 -8.988 7.763 1.00 0.00 C ATOM 714 CZ2 TRP A 42 -3.904 -11.635 8.480 1.00 0.00 C ATOM 715 CZ3 TRP A 42 -4.553 -9.307 8.219 1.00 0.00 C ATOM 716 CH2 TRP A 42 -4.881 -10.629 8.571 1.00 0.00 C ATOM 0 H TRP A 42 0.667 -9.848 4.466 1.00 0.00 H new ATOM 0 HA TRP A 42 -1.772 -8.632 5.232 1.00 0.00 H new ATOM 0 HB2 TRP A 42 0.930 -9.132 6.431 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -0.137 -7.990 7.225 1.00 0.00 H new ATOM 0 HD1 TRP A 42 0.500 -11.637 6.944 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -1.385 -13.044 7.990 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -3.026 -7.967 7.497 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -4.140 -12.651 8.761 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -5.299 -8.530 8.299 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -5.878 -10.869 8.909 1.00 0.00 H new ATOM 727 N GLU A 43 0.490 -6.453 4.271 1.00 0.00 N ATOM 728 CA GLU A 43 0.576 -5.031 3.941 1.00 0.00 C ATOM 729 C GLU A 43 -0.345 -4.668 2.772 1.00 0.00 C ATOM 730 O GLU A 43 -0.927 -3.584 2.782 1.00 0.00 O ATOM 731 CB GLU A 43 2.013 -4.598 3.613 1.00 0.00 C ATOM 732 CG GLU A 43 2.909 -4.462 4.849 1.00 0.00 C ATOM 733 CD GLU A 43 2.396 -3.395 5.833 1.00 0.00 C ATOM 734 OE1 GLU A 43 2.592 -2.184 5.569 1.00 0.00 O ATOM 735 OE2 GLU A 43 1.801 -3.764 6.876 1.00 0.00 O ATOM 0 H GLU A 43 1.305 -7.005 4.004 1.00 0.00 H new ATOM 0 HA GLU A 43 0.250 -4.493 4.831 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.456 -5.324 2.931 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.985 -3.643 3.088 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.968 -5.424 5.359 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.921 -4.205 4.534 1.00 0.00 H new ATOM 742 N VAL A 44 -0.506 -5.522 1.759 1.00 0.00 N ATOM 743 CA VAL A 44 -1.387 -5.188 0.655 1.00 0.00 C ATOM 744 C VAL A 44 -2.849 -5.218 1.089 1.00 0.00 C ATOM 745 O VAL A 44 -3.612 -4.325 0.742 1.00 0.00 O ATOM 746 CB VAL A 44 -1.128 -6.081 -0.554 1.00 0.00 C ATOM 747 CG1 VAL A 44 0.244 -5.748 -1.140 1.00 0.00 C ATOM 748 CG2 VAL A 44 -1.130 -7.574 -0.296 1.00 0.00 C ATOM 0 H VAL A 44 -0.046 -6.429 1.686 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.165 -4.167 0.346 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.964 -5.871 -1.221 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.434 -6.384 -2.005 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.265 -4.702 -1.447 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.013 -5.920 -0.387 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.935 -8.105 -1.228 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.354 -7.819 0.430 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.102 -7.874 0.096 1.00 0.00 H new ATOM 758 N MET A 45 -3.240 -6.206 1.887 1.00 0.00 N ATOM 759 CA MET A 45 -4.548 -6.222 2.515 1.00 0.00 C ATOM 760 C MET A 45 -4.737 -4.982 3.385 1.00 0.00 C ATOM 761 O MET A 45 -5.804 -4.372 3.352 1.00 0.00 O ATOM 762 CB MET A 45 -4.719 -7.499 3.350 1.00 0.00 C ATOM 763 CG MET A 45 -5.487 -8.549 2.551 1.00 0.00 C ATOM 764 SD MET A 45 -4.733 -9.111 0.994 1.00 0.00 S ATOM 765 CE MET A 45 -6.083 -8.748 -0.165 1.00 0.00 C ATOM 0 H MET A 45 -2.659 -7.013 2.113 1.00 0.00 H new ATOM 0 HA MET A 45 -5.310 -6.212 1.736 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.742 -7.890 3.635 1.00 0.00 H new ATOM 0 HB3 MET A 45 -5.252 -7.271 4.273 1.00 0.00 H new ATOM 0 HG2 MET A 45 -5.636 -9.420 3.190 1.00 0.00 H new ATOM 0 HG3 MET A 45 -6.475 -8.148 2.324 1.00 0.00 H new ATOM 0 HE1 MET A 45 -5.784 -9.035 -1.173 1.00 0.00 H new ATOM 0 HE2 MET A 45 -6.971 -9.310 0.124 1.00 0.00 H new ATOM 0 HE3 MET A 45 -6.305 -7.681 -0.142 1.00 0.00 H new ATOM 775 N ASP A 46 -3.715 -4.588 4.139 1.00 0.00 N ATOM 776 CA ASP A 46 -3.754 -3.373 4.953 1.00 0.00 C ATOM 777 C ASP A 46 -4.031 -2.137 4.093 1.00 0.00 C ATOM 778 O ASP A 46 -4.858 -1.298 4.462 1.00 0.00 O ATOM 779 CB ASP A 46 -2.472 -3.153 5.748 1.00 0.00 C ATOM 780 CG ASP A 46 -2.606 -1.880 6.599 1.00 0.00 C ATOM 781 OD1 ASP A 46 -3.323 -1.914 7.628 1.00 0.00 O ATOM 782 OD2 ASP A 46 -1.983 -0.846 6.256 1.00 0.00 O ATOM 0 H ASP A 46 -2.836 -5.101 4.204 1.00 0.00 H new ATOM 0 HA ASP A 46 -4.570 -3.517 5.662 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -2.278 -4.013 6.389 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -1.623 -3.062 5.071 1.00 0.00 H new ATOM 787 N GLU A 47 -3.416 -2.064 2.910 1.00 0.00 N ATOM 788 CA GLU A 47 -3.610 -1.026 1.910 1.00 0.00 C ATOM 789 C GLU A 47 -5.055 -0.983 1.365 1.00 0.00 C ATOM 790 O GLU A 47 -5.401 -0.082 0.598 1.00 0.00 O ATOM 791 CB GLU A 47 -2.591 -1.247 0.772 1.00 0.00 C ATOM 792 CG GLU A 47 -1.370 -0.328 0.822 1.00 0.00 C ATOM 793 CD GLU A 47 -1.736 1.156 0.635 1.00 0.00 C ATOM 794 OE1 GLU A 47 -1.855 1.616 -0.525 1.00 0.00 O ATOM 795 OE2 GLU A 47 -1.884 1.881 1.650 1.00 0.00 O ATOM 0 H GLU A 47 -2.737 -2.765 2.615 1.00 0.00 H new ATOM 0 HA GLU A 47 -3.444 -0.057 2.380 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -2.251 -2.282 0.802 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.097 -1.105 -0.183 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.863 -0.455 1.779 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.665 -0.625 0.046 1.00 0.00 H new ATOM 802 N VAL A 48 -5.903 -1.931 1.769 1.00 0.00 N ATOM 803 CA VAL A 48 -7.287 -2.094 1.340 1.00 0.00 C ATOM 804 C VAL A 48 -8.199 -2.293 2.571 1.00 0.00 C ATOM 805 O VAL A 48 -9.401 -2.487 2.423 1.00 0.00 O ATOM 806 CB VAL A 48 -7.371 -3.266 0.325 1.00 0.00 C ATOM 807 CG1 VAL A 48 -8.745 -3.343 -0.356 1.00 0.00 C ATOM 808 CG2 VAL A 48 -6.361 -3.177 -0.834 1.00 0.00 C ATOM 0 H VAL A 48 -5.623 -2.644 2.442 1.00 0.00 H new ATOM 0 HA VAL A 48 -7.641 -1.197 0.832 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.160 -4.137 0.945 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.757 -4.177 -1.057 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -9.517 -3.492 0.399 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -8.937 -2.414 -0.894 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.489 -4.034 -1.495 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.531 -2.258 -1.395 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -5.347 -3.175 -0.434 1.00 0.00 H new ATOM 818 N HIS A 49 -7.674 -2.239 3.798 1.00 0.00 N ATOM 819 CA HIS A 49 -8.359 -2.767 4.977 1.00 0.00 C ATOM 820 C HIS A 49 -9.764 -2.182 5.198 1.00 0.00 C ATOM 821 O HIS A 49 -10.678 -2.917 5.575 1.00 0.00 O ATOM 822 CB HIS A 49 -7.503 -2.576 6.233 1.00 0.00 C ATOM 823 CG HIS A 49 -7.987 -3.363 7.427 1.00 0.00 C ATOM 824 ND1 HIS A 49 -7.909 -2.977 8.748 1.00 0.00 N ATOM 825 CD2 HIS A 49 -8.561 -4.608 7.408 1.00 0.00 C ATOM 826 CE1 HIS A 49 -8.427 -3.963 9.501 1.00 0.00 C ATOM 827 NE2 HIS A 49 -8.840 -4.985 8.729 1.00 0.00 N ATOM 0 H HIS A 49 -6.763 -1.828 4.000 1.00 0.00 H new ATOM 0 HA HIS A 49 -8.499 -3.831 4.784 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -6.477 -2.868 6.009 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -7.485 -1.517 6.491 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -8.764 -5.197 6.526 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -8.501 -3.938 10.578 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -9.269 -5.856 9.041 1.00 0.00 H new ATOM 835 N GLU A 50 -9.948 -0.886 4.918 1.00 0.00 N ATOM 836 CA GLU A 50 -11.223 -0.184 5.091 1.00 0.00 C ATOM 837 C GLU A 50 -12.320 -0.689 4.132 1.00 0.00 C ATOM 838 O GLU A 50 -13.486 -0.308 4.266 1.00 0.00 O ATOM 839 CB GLU A 50 -11.017 1.326 4.885 1.00 0.00 C ATOM 840 CG GLU A 50 -10.091 1.955 5.938 1.00 0.00 C ATOM 841 CD GLU A 50 -10.000 3.480 5.762 1.00 0.00 C ATOM 842 OE1 GLU A 50 -9.138 3.956 4.983 1.00 0.00 O ATOM 843 OE2 GLU A 50 -10.780 4.222 6.411 1.00 0.00 O ATOM 0 H GLU A 50 -9.204 -0.288 4.560 1.00 0.00 H new ATOM 0 HA GLU A 50 -11.563 -0.388 6.106 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -10.600 1.498 3.893 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -11.985 1.827 4.915 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -10.462 1.723 6.936 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -9.096 1.517 5.858 1.00 0.00 H new ATOM 850 N GLU A 51 -11.957 -1.538 3.169 1.00 0.00 N ATOM 851 CA GLU A 51 -12.822 -2.146 2.175 1.00 0.00 C ATOM 852 C GLU A 51 -12.793 -3.679 2.322 1.00 0.00 C ATOM 853 O GLU A 51 -13.829 -4.332 2.190 1.00 0.00 O ATOM 854 CB GLU A 51 -12.346 -1.728 0.778 1.00 0.00 C ATOM 855 CG GLU A 51 -12.499 -0.222 0.542 1.00 0.00 C ATOM 856 CD GLU A 51 -11.715 0.214 -0.704 1.00 0.00 C ATOM 857 OE1 GLU A 51 -12.244 0.125 -1.837 1.00 0.00 O ATOM 858 OE2 GLU A 51 -10.536 0.623 -0.582 1.00 0.00 O ATOM 0 H GLU A 51 -10.987 -1.834 3.062 1.00 0.00 H new ATOM 0 HA GLU A 51 -13.848 -1.809 2.320 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -11.300 -2.009 0.653 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -12.915 -2.272 0.024 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -13.553 0.027 0.420 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -12.141 0.326 1.413 1.00 0.00 H new ATOM 865 N GLU A 52 -11.637 -4.264 2.665 1.00 0.00 N ATOM 866 CA GLU A 52 -11.512 -5.674 3.024 1.00 0.00 C ATOM 867 C GLU A 52 -12.429 -6.024 4.200 1.00 0.00 C ATOM 868 O GLU A 52 -12.941 -7.139 4.239 1.00 0.00 O ATOM 869 CB GLU A 52 -10.068 -6.043 3.378 1.00 0.00 C ATOM 870 CG GLU A 52 -9.167 -6.245 2.154 1.00 0.00 C ATOM 871 CD GLU A 52 -9.581 -7.418 1.240 1.00 0.00 C ATOM 872 OE1 GLU A 52 -10.036 -8.473 1.734 1.00 0.00 O ATOM 873 OE2 GLU A 52 -9.426 -7.290 0.003 1.00 0.00 O ATOM 0 H GLU A 52 -10.752 -3.759 2.700 1.00 0.00 H new ATOM 0 HA GLU A 52 -11.812 -6.251 2.149 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.645 -5.258 4.004 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -10.071 -6.957 3.971 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -9.163 -5.327 1.566 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -8.145 -6.410 2.495 1.00 0.00 H new ATOM 880 N GLU A 53 -12.693 -5.100 5.133 1.00 0.00 N ATOM 881 CA GLU A 53 -13.608 -5.353 6.247 1.00 0.00 C ATOM 882 C GLU A 53 -15.021 -5.761 5.781 1.00 0.00 C ATOM 883 O GLU A 53 -15.739 -6.419 6.539 1.00 0.00 O ATOM 884 CB GLU A 53 -13.649 -4.158 7.214 1.00 0.00 C ATOM 885 CG GLU A 53 -14.238 -2.878 6.613 1.00 0.00 C ATOM 886 CD GLU A 53 -14.372 -1.774 7.680 1.00 0.00 C ATOM 887 OE1 GLU A 53 -13.392 -1.030 7.933 1.00 0.00 O ATOM 888 OE2 GLU A 53 -15.462 -1.647 8.292 1.00 0.00 O ATOM 0 H GLU A 53 -12.282 -4.167 5.135 1.00 0.00 H new ATOM 0 HA GLU A 53 -13.211 -6.210 6.790 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -14.234 -4.436 8.091 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -12.636 -3.950 7.559 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -13.601 -2.528 5.801 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -15.216 -3.092 6.182 1.00 0.00 H new ATOM 895 N PHE A 54 -15.417 -5.427 4.544 1.00 0.00 N ATOM 896 CA PHE A 54 -16.705 -5.829 3.979 1.00 0.00 C ATOM 897 C PHE A 54 -16.663 -7.239 3.373 1.00 0.00 C ATOM 898 O PHE A 54 -17.725 -7.797 3.087 1.00 0.00 O ATOM 899 CB PHE A 54 -17.147 -4.830 2.897 1.00 0.00 C ATOM 900 CG PHE A 54 -17.157 -3.366 3.303 1.00 0.00 C ATOM 901 CD1 PHE A 54 -17.791 -2.951 4.494 1.00 0.00 C ATOM 902 CD2 PHE A 54 -16.553 -2.405 2.467 1.00 0.00 C ATOM 903 CE1 PHE A 54 -17.799 -1.591 4.855 1.00 0.00 C ATOM 904 CE2 PHE A 54 -16.571 -1.046 2.824 1.00 0.00 C ATOM 905 CZ PHE A 54 -17.185 -0.638 4.021 1.00 0.00 C ATOM 0 H PHE A 54 -14.848 -4.868 3.908 1.00 0.00 H new ATOM 0 HA PHE A 54 -17.421 -5.836 4.801 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -16.488 -4.943 2.036 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -18.150 -5.102 2.568 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -18.271 -3.680 5.130 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -16.075 -2.714 1.549 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -18.276 -1.278 5.772 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -16.112 -0.313 2.177 1.00 0.00 H new ATOM 0 HZ PHE A 54 -17.186 0.405 4.300 1.00 0.00 H new ATOM 915 N ALA A 55 -15.472 -7.812 3.154 1.00 0.00 N ATOM 916 CA ALA A 55 -15.270 -8.992 2.314 1.00 0.00 C ATOM 917 C ALA A 55 -14.370 -10.053 2.951 1.00 0.00 C ATOM 918 O ALA A 55 -14.163 -11.110 2.346 1.00 0.00 O ATOM 919 CB ALA A 55 -14.726 -8.546 0.947 1.00 0.00 C ATOM 0 H ALA A 55 -14.608 -7.459 3.565 1.00 0.00 H new ATOM 0 HA ALA A 55 -16.238 -9.478 2.192 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -14.572 -9.420 0.314 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -15.442 -7.875 0.472 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -13.778 -8.026 1.085 1.00 0.00 H new ATOM 925 N VAL A 56 -13.862 -9.818 4.160 1.00 0.00 N ATOM 926 CA VAL A 56 -13.077 -10.776 4.921 1.00 0.00 C ATOM 927 C VAL A 56 -13.991 -11.845 5.542 1.00 0.00 C ATOM 928 O VAL A 56 -14.240 -11.897 6.749 1.00 0.00 O ATOM 929 CB VAL A 56 -12.100 -10.036 5.857 1.00 0.00 C ATOM 930 CG1 VAL A 56 -12.762 -9.147 6.920 1.00 0.00 C ATOM 931 CG2 VAL A 56 -11.148 -11.049 6.497 1.00 0.00 C ATOM 0 H VAL A 56 -13.991 -8.931 4.646 1.00 0.00 H new ATOM 0 HA VAL A 56 -12.417 -11.360 4.279 1.00 0.00 H new ATOM 0 HB VAL A 56 -11.549 -9.335 5.230 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -11.992 -8.671 7.527 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -13.363 -8.381 6.430 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -13.401 -9.757 7.558 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -10.456 -10.529 7.159 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -11.723 -11.776 7.071 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -10.587 -11.564 5.717 1.00 0.00 H new ATOM 941 N GLU A 57 -14.548 -12.683 4.674 1.00 0.00 N ATOM 942 CA GLU A 57 -15.546 -13.690 5.006 1.00 0.00 C ATOM 943 C GLU A 57 -15.519 -14.829 3.967 1.00 0.00 C ATOM 944 O GLU A 57 -16.536 -15.476 3.696 1.00 0.00 O ATOM 945 CB GLU A 57 -16.917 -13.002 5.128 1.00 0.00 C ATOM 946 CG GLU A 57 -17.306 -12.157 3.906 1.00 0.00 C ATOM 947 CD GLU A 57 -18.835 -12.059 3.763 1.00 0.00 C ATOM 948 OE1 GLU A 57 -19.475 -11.288 4.522 1.00 0.00 O ATOM 949 OE2 GLU A 57 -19.411 -12.760 2.896 1.00 0.00 O ATOM 0 H GLU A 57 -14.307 -12.678 3.683 1.00 0.00 H new ATOM 0 HA GLU A 57 -15.326 -14.157 5.966 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -17.681 -13.763 5.288 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -16.914 -12.364 6.011 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -16.882 -11.157 4.002 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -16.881 -12.599 3.005 1.00 0.00 H new ATOM 956 N GLY A 58 -14.357 -15.056 3.348 1.00 0.00 N ATOM 957 CA GLY A 58 -14.154 -16.026 2.282 1.00 0.00 C ATOM 958 C GLY A 58 -12.660 -16.276 2.060 1.00 0.00 C ATOM 959 O GLY A 58 -11.825 -15.715 2.782 1.00 0.00 O ATOM 0 H GLY A 58 -13.505 -14.549 3.588 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -14.651 -16.962 2.535 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -14.609 -15.662 1.360 1.00 0.00 H new ATOM 963 N PRO A 59 -12.321 -17.135 1.085 1.00 0.00 N ATOM 964 CA PRO A 59 -10.948 -17.527 0.792 1.00 0.00 C ATOM 965 C PRO A 59 -10.140 -16.374 0.178 1.00 0.00 C ATOM 966 O PRO A 59 -10.694 -15.365 -0.268 1.00 0.00 O ATOM 967 CB PRO A 59 -11.063 -18.714 -0.164 1.00 0.00 C ATOM 968 CG PRO A 59 -12.381 -18.438 -0.882 1.00 0.00 C ATOM 969 CD PRO A 59 -13.248 -17.823 0.204 1.00 0.00 C ATOM 0 HA PRO A 59 -10.407 -17.795 1.700 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -10.224 -18.757 -0.859 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -11.084 -19.664 0.370 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -12.246 -17.758 -1.723 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -12.822 -19.352 -1.279 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -13.977 -17.132 -0.218 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -13.808 -18.588 0.741 1.00 0.00 H new ATOM 977 N LEU A 60 -8.826 -16.581 0.084 1.00 0.00 N ATOM 978 CA LEU A 60 -7.874 -15.695 -0.579 1.00 0.00 C ATOM 979 C LEU A 60 -7.043 -16.556 -1.525 1.00 0.00 C ATOM 980 O LEU A 60 -6.770 -17.726 -1.234 1.00 0.00 O ATOM 981 CB LEU A 60 -6.956 -15.033 0.463 1.00 0.00 C ATOM 982 CG LEU A 60 -6.057 -13.902 -0.081 1.00 0.00 C ATOM 983 CD1 LEU A 60 -6.874 -12.704 -0.582 1.00 0.00 C ATOM 984 CD2 LEU A 60 -5.108 -13.423 1.020 1.00 0.00 C ATOM 0 H LEU A 60 -8.379 -17.406 0.485 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.394 -14.907 -1.123 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.574 -14.631 1.266 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.321 -15.801 0.905 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.498 -14.310 -0.923 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.199 -11.934 -0.955 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.537 -13.026 -1.385 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.468 -12.300 0.238 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.475 -12.625 0.633 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.688 -13.049 1.863 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.484 -14.254 1.349 1.00 0.00 H new ATOM 996 N TRP A 61 -6.619 -15.965 -2.636 1.00 0.00 N ATOM 997 CA TRP A 61 -5.992 -16.658 -3.744 1.00 0.00 C ATOM 998 C TRP A 61 -4.855 -15.787 -4.256 1.00 0.00 C ATOM 999 O TRP A 61 -4.987 -14.565 -4.227 1.00 0.00 O ATOM 1000 CB TRP A 61 -7.054 -16.825 -4.837 1.00 0.00 C ATOM 1001 CG TRP A 61 -8.276 -17.623 -4.489 1.00 0.00 C ATOM 1002 CD1 TRP A 61 -9.399 -17.154 -3.895 1.00 0.00 C ATOM 1003 CD2 TRP A 61 -8.519 -19.033 -4.743 1.00 0.00 C ATOM 1004 NE1 TRP A 61 -10.320 -18.179 -3.781 1.00 0.00 N ATOM 1005 CE2 TRP A 61 -9.821 -19.368 -4.275 1.00 0.00 C ATOM 1006 CE3 TRP A 61 -7.756 -20.060 -5.336 1.00 0.00 C ATOM 1007 CZ2 TRP A 61 -10.341 -20.667 -4.386 1.00 0.00 C ATOM 1008 CZ3 TRP A 61 -8.266 -21.369 -5.445 1.00 0.00 C ATOM 1009 CH2 TRP A 61 -9.553 -21.675 -4.970 1.00 0.00 C ATOM 0 H TRP A 61 -6.707 -14.961 -2.791 1.00 0.00 H new ATOM 0 HA TRP A 61 -5.601 -17.632 -3.449 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -7.377 -15.832 -5.149 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -6.580 -17.292 -5.700 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -9.551 -16.138 -3.562 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -11.252 -18.070 -3.382 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -6.768 -19.840 -5.712 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -11.335 -20.890 -4.027 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -7.663 -22.143 -5.897 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -9.936 -22.681 -5.053 1.00 0.00 H new ATOM 1020 N ILE A 62 -3.764 -16.378 -4.746 1.00 0.00 N ATOM 1021 CA ILE A 62 -2.539 -15.653 -5.079 1.00 0.00 C ATOM 1022 C ILE A 62 -2.034 -16.155 -6.441 1.00 0.00 C ATOM 1023 O ILE A 62 -2.074 -17.359 -6.705 1.00 0.00 O ATOM 1024 CB ILE A 62 -1.446 -15.879 -3.994 1.00 0.00 C ATOM 1025 CG1 ILE A 62 -1.898 -15.960 -2.512 1.00 0.00 C ATOM 1026 CG2 ILE A 62 -0.340 -14.819 -4.138 1.00 0.00 C ATOM 1027 CD1 ILE A 62 -2.439 -14.671 -1.877 1.00 0.00 C ATOM 0 H ILE A 62 -3.706 -17.381 -4.924 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.752 -14.585 -5.122 1.00 0.00 H new ATOM 0 HB ILE A 62 -1.092 -16.888 -4.206 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -2.670 -16.726 -2.435 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.050 -16.301 -1.917 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.422 -14.982 -3.376 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.113 -14.897 -5.126 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.770 -13.825 -4.014 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.719 -14.865 -0.842 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.669 -13.900 -1.906 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.314 -14.332 -2.432 1.00 0.00 H new ATOM 1039 N GLN A 63 -1.490 -15.256 -7.265 1.00 0.00 N ATOM 1040 CA GLN A 63 -0.695 -15.578 -8.448 1.00 0.00 C ATOM 1041 C GLN A 63 0.470 -14.588 -8.525 1.00 0.00 C ATOM 1042 O GLN A 63 0.332 -13.507 -9.100 1.00 0.00 O ATOM 1043 CB GLN A 63 -1.578 -15.538 -9.707 1.00 0.00 C ATOM 1044 CG GLN A 63 -0.818 -15.952 -10.980 1.00 0.00 C ATOM 1045 CD GLN A 63 -1.659 -15.743 -12.244 1.00 0.00 C ATOM 1046 OE1 GLN A 63 -2.772 -16.250 -12.361 1.00 0.00 O ATOM 1047 NE2 GLN A 63 -1.155 -14.996 -13.218 1.00 0.00 N ATOM 0 H GLN A 63 -1.595 -14.252 -7.121 1.00 0.00 H new ATOM 0 HA GLN A 63 -0.291 -16.588 -8.381 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -2.432 -16.200 -9.568 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -1.973 -14.531 -9.836 1.00 0.00 H new ATOM 0 HG2 GLN A 63 0.102 -15.373 -11.057 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -0.530 -17.001 -10.905 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -0.230 -14.578 -13.114 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -1.692 -14.840 -14.071 1.00 0.00 H new ATOM 1056 N VAL A 64 1.609 -14.944 -7.926 1.00 0.00 N ATOM 1057 CA VAL A 64 2.887 -14.259 -8.144 1.00 0.00 C ATOM 1058 C VAL A 64 3.355 -14.515 -9.587 1.00 0.00 C ATOM 1059 O VAL A 64 3.049 -15.565 -10.159 1.00 0.00 O ATOM 1060 CB VAL A 64 3.918 -14.753 -7.103 1.00 0.00 C ATOM 1061 CG1 VAL A 64 4.352 -16.215 -7.298 1.00 0.00 C ATOM 1062 CG2 VAL A 64 5.192 -13.899 -7.080 1.00 0.00 C ATOM 0 H VAL A 64 1.671 -15.723 -7.270 1.00 0.00 H new ATOM 0 HA VAL A 64 2.775 -13.183 -8.013 1.00 0.00 H new ATOM 0 HB VAL A 64 3.381 -14.663 -6.158 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.076 -16.485 -6.529 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.481 -16.866 -7.222 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.807 -16.331 -8.281 1.00 0.00 H new ATOM 0 HG21 VAL A 64 5.880 -14.292 -6.331 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.668 -13.929 -8.060 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.935 -12.869 -6.832 1.00 0.00 H new ATOM 1072 N GLN A 65 4.168 -13.617 -10.149 1.00 0.00 N ATOM 1073 CA GLN A 65 5.130 -13.927 -11.187 1.00 0.00 C ATOM 1074 C GLN A 65 6.275 -12.926 -11.031 1.00 0.00 C ATOM 1075 O GLN A 65 6.068 -11.807 -10.557 1.00 0.00 O ATOM 1076 CB GLN A 65 4.504 -13.860 -12.587 1.00 0.00 C ATOM 1077 CG GLN A 65 3.592 -12.658 -12.857 1.00 0.00 C ATOM 1078 CD GLN A 65 2.153 -12.897 -12.410 1.00 0.00 C ATOM 1079 OE1 GLN A 65 1.398 -13.653 -13.016 1.00 0.00 O ATOM 1080 NE2 GLN A 65 1.739 -12.276 -11.324 1.00 0.00 N ATOM 0 H GLN A 65 4.168 -12.633 -9.882 1.00 0.00 H new ATOM 0 HA GLN A 65 5.492 -14.950 -11.082 1.00 0.00 H new ATOM 0 HB2 GLN A 65 5.308 -13.854 -13.323 1.00 0.00 H new ATOM 0 HB3 GLN A 65 3.929 -14.771 -12.751 1.00 0.00 H new ATOM 0 HG2 GLN A 65 3.988 -11.784 -12.340 1.00 0.00 H new ATOM 0 HG3 GLN A 65 3.604 -12.431 -13.923 1.00 0.00 H new ATOM 0 HE21 GLN A 65 2.369 -11.649 -10.824 1.00 0.00 H new ATOM 0 HE22 GLN A 65 0.789 -12.422 -10.984 1.00 0.00 H new ATOM 1089 N ALA A 66 7.473 -13.324 -11.440 1.00 0.00 N ATOM 1090 CA ALA A 66 8.684 -12.519 -11.300 1.00 0.00 C ATOM 1091 C ALA A 66 9.059 -11.902 -12.652 1.00 0.00 C ATOM 1092 O ALA A 66 8.876 -12.521 -13.704 1.00 0.00 O ATOM 1093 CB ALA A 66 9.813 -13.369 -10.704 1.00 0.00 C ATOM 0 H ALA A 66 7.635 -14.227 -11.885 1.00 0.00 H new ATOM 0 HA ALA A 66 8.506 -11.695 -10.609 1.00 0.00 H new ATOM 0 HB1 ALA A 66 10.712 -12.761 -10.603 1.00 0.00 H new ATOM 0 HB2 ALA A 66 9.512 -13.737 -9.723 1.00 0.00 H new ATOM 0 HB3 ALA A 66 10.018 -14.214 -11.361 1.00 0.00 H new ATOM 1099 N LEU A 67 9.563 -10.670 -12.603 1.00 0.00 N ATOM 1100 CA LEU A 67 9.859 -9.775 -13.719 1.00 0.00 C ATOM 1101 C LEU A 67 11.298 -9.258 -13.555 1.00 0.00 C ATOM 1102 O LEU A 67 12.022 -9.694 -12.658 1.00 0.00 O ATOM 1103 CB LEU A 67 8.824 -8.626 -13.734 1.00 0.00 C ATOM 1104 CG LEU A 67 7.381 -9.123 -13.961 1.00 0.00 C ATOM 1105 CD1 LEU A 67 6.635 -9.298 -12.655 1.00 0.00 C ATOM 1106 CD2 LEU A 67 6.554 -8.142 -14.784 1.00 0.00 C ATOM 0 H LEU A 67 9.793 -10.237 -11.708 1.00 0.00 H new ATOM 0 HA LEU A 67 9.788 -10.293 -14.675 1.00 0.00 H new ATOM 0 HB2 LEU A 67 8.873 -8.087 -12.788 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.087 -7.917 -14.519 1.00 0.00 H new ATOM 0 HG LEU A 67 7.493 -10.072 -14.485 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.623 -9.649 -12.858 1.00 0.00 H new ATOM 0 HD12 LEU A 67 7.155 -10.028 -12.034 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.589 -8.343 -12.131 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.547 -8.537 -14.916 1.00 0.00 H new ATOM 0 HD22 LEU A 67 6.503 -7.184 -14.266 1.00 0.00 H new ATOM 0 HD23 LEU A 67 7.020 -8.002 -15.759 1.00 0.00 H new ATOM 1118 N ASP A 68 11.741 -8.355 -14.435 1.00 0.00 N ATOM 1119 CA ASP A 68 13.166 -8.022 -14.571 1.00 0.00 C ATOM 1120 C ASP A 68 13.789 -7.421 -13.304 1.00 0.00 C ATOM 1121 O ASP A 68 14.953 -7.703 -13.007 1.00 0.00 O ATOM 1122 CB ASP A 68 13.386 -7.091 -15.768 1.00 0.00 C ATOM 1123 CG ASP A 68 14.889 -6.912 -16.055 1.00 0.00 C ATOM 1124 OD1 ASP A 68 15.551 -7.894 -16.464 1.00 0.00 O ATOM 1125 OD2 ASP A 68 15.417 -5.789 -15.881 1.00 0.00 O ATOM 0 H ASP A 68 11.131 -7.838 -15.068 1.00 0.00 H new ATOM 0 HA ASP A 68 13.680 -8.968 -14.739 1.00 0.00 H new ATOM 0 HB2 ASP A 68 12.890 -7.500 -16.648 1.00 0.00 H new ATOM 0 HB3 ASP A 68 12.932 -6.121 -15.568 1.00 0.00 H new ATOM 1130 N LYS A 69 13.025 -6.624 -12.536 1.00 0.00 N ATOM 1131 CA LYS A 69 13.501 -5.936 -11.319 1.00 0.00 C ATOM 1132 C LYS A 69 12.453 -5.941 -10.198 1.00 0.00 C ATOM 1133 O LYS A 69 12.479 -5.088 -9.303 1.00 0.00 O ATOM 1134 CB LYS A 69 13.950 -4.501 -11.649 1.00 0.00 C ATOM 1135 CG LYS A 69 15.148 -4.403 -12.602 1.00 0.00 C ATOM 1136 CD LYS A 69 16.459 -4.939 -12.000 1.00 0.00 C ATOM 1137 CE LYS A 69 17.637 -4.792 -12.975 1.00 0.00 C ATOM 1138 NZ LYS A 69 17.564 -5.745 -14.115 1.00 0.00 N ATOM 0 H LYS A 69 12.045 -6.436 -12.745 1.00 0.00 H new ATOM 0 HA LYS A 69 14.361 -6.494 -10.948 1.00 0.00 H new ATOM 0 HB2 LYS A 69 13.109 -3.965 -12.089 1.00 0.00 H new ATOM 0 HB3 LYS A 69 14.201 -3.991 -10.719 1.00 0.00 H new ATOM 0 HG2 LYS A 69 14.923 -4.957 -13.513 1.00 0.00 H new ATOM 0 HG3 LYS A 69 15.289 -3.361 -12.889 1.00 0.00 H new ATOM 0 HD2 LYS A 69 16.681 -4.402 -11.078 1.00 0.00 H new ATOM 0 HD3 LYS A 69 16.335 -5.989 -11.736 1.00 0.00 H new ATOM 0 HE2 LYS A 69 17.659 -3.773 -13.360 1.00 0.00 H new ATOM 0 HE3 LYS A 69 18.571 -4.949 -12.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 18.439 -5.685 -14.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 17.451 -6.713 -13.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 16.751 -5.505 -14.717 1.00 0.00 H new ATOM 1152 N GLY A 70 11.502 -6.868 -10.238 1.00 0.00 N ATOM 1153 CA GLY A 70 10.382 -6.883 -9.313 1.00 0.00 C ATOM 1154 C GLY A 70 9.480 -8.075 -9.590 1.00 0.00 C ATOM 1155 O GLY A 70 9.821 -8.946 -10.391 1.00 0.00 O ATOM 0 H GLY A 70 11.489 -7.630 -10.915 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.750 -6.928 -8.288 1.00 0.00 H new ATOM 0 HA3 GLY A 70 9.812 -5.958 -9.407 1.00 0.00 H new ATOM 1159 N LEU A 71 8.314 -8.104 -8.956 1.00 0.00 N ATOM 1160 CA LEU A 71 7.290 -9.128 -9.139 1.00 0.00 C ATOM 1161 C LEU A 71 5.933 -8.461 -9.272 1.00 0.00 C ATOM 1162 O LEU A 71 5.651 -7.498 -8.566 1.00 0.00 O ATOM 1163 CB LEU A 71 7.241 -10.105 -7.951 1.00 0.00 C ATOM 1164 CG LEU A 71 8.573 -10.833 -7.681 1.00 0.00 C ATOM 1165 CD1 LEU A 71 9.237 -10.233 -6.436 1.00 0.00 C ATOM 1166 CD2 LEU A 71 8.333 -12.328 -7.499 1.00 0.00 C ATOM 0 H LEU A 71 8.045 -7.392 -8.277 1.00 0.00 H new ATOM 0 HA LEU A 71 7.539 -9.690 -10.039 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.951 -9.557 -7.055 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.464 -10.847 -8.136 1.00 0.00 H new ATOM 0 HG LEU A 71 9.237 -10.701 -8.535 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.179 -10.746 -6.243 1.00 0.00 H new ATOM 0 HD12 LEU A 71 9.429 -9.173 -6.601 1.00 0.00 H new ATOM 0 HD13 LEU A 71 8.576 -10.353 -5.578 1.00 0.00 H new ATOM 0 HD21 LEU A 71 9.283 -12.828 -7.309 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.663 -12.489 -6.655 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.882 -12.737 -8.403 1.00 0.00 H new ATOM 1178 N GLU A 72 5.077 -8.998 -10.131 1.00 0.00 N ATOM 1179 CA GLU A 72 3.644 -8.730 -10.106 1.00 0.00 C ATOM 1180 C GLU A 72 3.022 -9.846 -9.294 1.00 0.00 C ATOM 1181 O GLU A 72 3.409 -11.006 -9.440 1.00 0.00 O ATOM 1182 CB GLU A 72 2.985 -8.730 -11.500 1.00 0.00 C ATOM 1183 CG GLU A 72 3.021 -7.381 -12.226 1.00 0.00 C ATOM 1184 CD GLU A 72 2.142 -7.423 -13.488 1.00 0.00 C ATOM 1185 OE1 GLU A 72 2.586 -7.959 -14.529 1.00 0.00 O ATOM 1186 OE2 GLU A 72 0.998 -6.910 -13.443 1.00 0.00 O ATOM 0 H GLU A 72 5.360 -9.639 -10.873 1.00 0.00 H new ATOM 0 HA GLU A 72 3.488 -7.735 -9.690 1.00 0.00 H new ATOM 0 HB2 GLU A 72 3.482 -9.475 -12.122 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.946 -9.043 -11.396 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.672 -6.593 -11.559 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.047 -7.136 -12.499 1.00 0.00 H new ATOM 1193 N ILE A 73 1.997 -9.533 -8.514 1.00 0.00 N ATOM 1194 CA ILE A 73 1.191 -10.510 -7.823 1.00 0.00 C ATOM 1195 C ILE A 73 -0.263 -10.117 -8.047 1.00 0.00 C ATOM 1196 O ILE A 73 -0.650 -8.998 -7.722 1.00 0.00 O ATOM 1197 CB ILE A 73 1.576 -10.563 -6.327 1.00 0.00 C ATOM 1198 CG1 ILE A 73 3.108 -10.678 -6.115 1.00 0.00 C ATOM 1199 CG2 ILE A 73 0.822 -11.726 -5.664 1.00 0.00 C ATOM 1200 CD1 ILE A 73 3.561 -11.270 -4.786 1.00 0.00 C ATOM 0 H ILE A 73 1.702 -8.571 -8.345 1.00 0.00 H new ATOM 0 HA ILE A 73 1.356 -11.517 -8.205 1.00 0.00 H new ATOM 0 HB ILE A 73 1.284 -9.624 -5.856 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.520 -11.287 -6.920 1.00 0.00 H new ATOM 0 HG13 ILE A 73 3.543 -9.683 -6.213 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.085 -11.775 -4.607 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.252 -11.567 -5.764 1.00 0.00 H new ATOM 0 HG23 ILE A 73 1.097 -12.662 -6.150 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.650 -11.300 -4.753 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.190 -10.653 -3.968 1.00 0.00 H new ATOM 0 HD13 ILE A 73 3.167 -12.281 -4.685 1.00 0.00 H new ATOM 1212 N ILE A 74 -1.072 -11.018 -8.601 1.00 0.00 N ATOM 1213 CA ILE A 74 -2.522 -10.876 -8.641 1.00 0.00 C ATOM 1214 C ILE A 74 -3.018 -11.598 -7.382 1.00 0.00 C ATOM 1215 O ILE A 74 -2.430 -12.597 -6.963 1.00 0.00 O ATOM 1216 CB ILE A 74 -3.098 -11.437 -9.970 1.00 0.00 C ATOM 1217 CG1 ILE A 74 -2.676 -10.676 -11.253 1.00 0.00 C ATOM 1218 CG2 ILE A 74 -4.634 -11.376 -9.959 1.00 0.00 C ATOM 1219 CD1 ILE A 74 -1.207 -10.787 -11.670 1.00 0.00 C ATOM 0 H ILE A 74 -0.734 -11.875 -9.039 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.857 -9.839 -8.633 1.00 0.00 H new ATOM 0 HB ILE A 74 -2.694 -12.449 -10.010 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -3.291 -11.034 -12.078 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -2.911 -9.621 -11.115 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -5.021 -11.773 -10.898 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.016 -11.970 -9.129 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -4.956 -10.341 -9.843 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -1.043 -10.211 -12.580 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -0.572 -10.397 -10.874 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -0.959 -11.832 -11.853 1.00 0.00 H new ATOM 1231 N VAL A 75 -4.089 -11.100 -6.772 1.00 0.00 N ATOM 1232 CA VAL A 75 -4.654 -11.602 -5.532 1.00 0.00 C ATOM 1233 C VAL A 75 -6.164 -11.648 -5.753 1.00 0.00 C ATOM 1234 O VAL A 75 -6.732 -10.681 -6.259 1.00 0.00 O ATOM 1235 CB VAL A 75 -4.276 -10.702 -4.329 1.00 0.00 C ATOM 1236 CG1 VAL A 75 -4.083 -11.567 -3.081 1.00 0.00 C ATOM 1237 CG2 VAL A 75 -2.998 -9.860 -4.505 1.00 0.00 C ATOM 0 H VAL A 75 -4.605 -10.304 -7.146 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.262 -12.589 -5.287 1.00 0.00 H new ATOM 0 HB VAL A 75 -5.107 -10.002 -4.241 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -3.817 -10.932 -2.236 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.009 -12.097 -2.859 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -3.285 -12.288 -3.258 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.826 -9.268 -3.606 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -2.147 -10.521 -4.673 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -3.115 -9.195 -5.361 1.00 0.00 H new ATOM 1247 N THR A 76 -6.821 -12.754 -5.423 1.00 0.00 N ATOM 1248 CA THR A 76 -8.187 -13.038 -5.863 1.00 0.00 C ATOM 1249 C THR A 76 -9.008 -13.505 -4.663 1.00 0.00 C ATOM 1250 O THR A 76 -8.443 -13.943 -3.654 1.00 0.00 O ATOM 1251 CB THR A 76 -8.202 -13.994 -7.097 1.00 0.00 C ATOM 1252 OG1 THR A 76 -8.910 -15.203 -6.891 1.00 0.00 O ATOM 1253 CG2 THR A 76 -6.823 -14.345 -7.701 1.00 0.00 C ATOM 0 H THR A 76 -6.420 -13.487 -4.838 1.00 0.00 H new ATOM 0 HA THR A 76 -8.670 -12.133 -6.233 1.00 0.00 H new ATOM 0 HB THR A 76 -8.734 -13.374 -7.819 1.00 0.00 H new ATOM 0 HG1 THR A 76 -8.875 -15.745 -7.706 1.00 0.00 H new ATOM 0 HG21 THR A 76 -6.958 -15.014 -8.551 1.00 0.00 H new ATOM 0 HG22 THR A 76 -6.328 -13.432 -8.033 1.00 0.00 H new ATOM 0 HG23 THR A 76 -6.210 -14.837 -6.946 1.00 0.00 H new ATOM 1261 N LYS A 77 -10.336 -13.404 -4.766 1.00 0.00 N ATOM 1262 CA LYS A 77 -11.330 -13.877 -3.806 1.00 0.00 C ATOM 1263 C LYS A 77 -12.558 -14.353 -4.579 1.00 0.00 C ATOM 1264 O LYS A 77 -12.719 -14.024 -5.757 1.00 0.00 O ATOM 1265 CB LYS A 77 -11.743 -12.753 -2.837 1.00 0.00 C ATOM 1266 CG LYS A 77 -10.626 -12.353 -1.854 1.00 0.00 C ATOM 1267 CD LYS A 77 -9.975 -10.981 -2.105 1.00 0.00 C ATOM 1268 CE LYS A 77 -10.999 -9.830 -2.108 1.00 0.00 C ATOM 1269 NZ LYS A 77 -10.365 -8.496 -2.276 1.00 0.00 N ATOM 0 H LYS A 77 -10.771 -12.961 -5.575 1.00 0.00 H new ATOM 0 HA LYS A 77 -10.901 -14.690 -3.220 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -12.041 -11.877 -3.414 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -12.617 -13.074 -2.271 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -11.036 -12.361 -0.844 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -9.848 -13.115 -1.888 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -9.225 -10.793 -1.337 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -9.453 -11.000 -3.062 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -11.717 -9.990 -2.913 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -11.559 -9.846 -1.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -10.903 -7.941 -2.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -10.360 -7.997 -1.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -9.387 -8.616 -2.610 1.00 0.00 H new ATOM 1283 N ALA A 78 -13.440 -15.086 -3.894 1.00 0.00 N ATOM 1284 CA ALA A 78 -14.796 -15.322 -4.375 1.00 0.00 C ATOM 1285 C ALA A 78 -15.538 -13.980 -4.507 1.00 0.00 C ATOM 1286 O ALA A 78 -15.153 -12.983 -3.885 1.00 0.00 O ATOM 1287 CB ALA A 78 -15.524 -16.263 -3.406 1.00 0.00 C ATOM 0 H ALA A 78 -13.233 -15.528 -2.998 1.00 0.00 H new ATOM 0 HA ALA A 78 -14.766 -15.794 -5.357 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -16.538 -16.441 -3.764 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -14.989 -17.211 -3.348 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -15.563 -15.807 -2.417 1.00 0.00 H new ATOM 1293 N GLN A 79 -16.621 -13.961 -5.291 1.00 0.00 N ATOM 1294 CA GLN A 79 -17.500 -12.797 -5.401 1.00 0.00 C ATOM 1295 C GLN A 79 -18.086 -12.438 -4.028 1.00 0.00 C ATOM 1296 O GLN A 79 -18.388 -13.330 -3.228 1.00 0.00 O ATOM 1297 CB GLN A 79 -18.604 -13.049 -6.449 1.00 0.00 C ATOM 1298 CG GLN A 79 -19.555 -14.216 -6.122 1.00 0.00 C ATOM 1299 CD GLN A 79 -20.403 -14.569 -7.344 1.00 0.00 C ATOM 1300 OE1 GLN A 79 -20.192 -15.590 -7.998 1.00 0.00 O ATOM 1301 NE2 GLN A 79 -21.346 -13.718 -7.710 1.00 0.00 N ATOM 0 H GLN A 79 -16.911 -14.752 -5.866 1.00 0.00 H new ATOM 0 HA GLN A 79 -16.916 -11.943 -5.743 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -19.194 -12.139 -6.560 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -18.133 -13.243 -7.412 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -18.979 -15.086 -5.807 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -20.202 -13.944 -5.288 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -21.513 -12.875 -7.161 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -21.907 -13.905 -8.541 1.00 0.00 H new ATOM 1310 N LEU A 80 -18.300 -11.144 -3.771 1.00 0.00 N ATOM 1311 CA LEU A 80 -18.944 -10.670 -2.545 1.00 0.00 C ATOM 1312 C LEU A 80 -20.398 -11.153 -2.477 1.00 0.00 C ATOM 1313 O LEU A 80 -20.896 -11.465 -1.396 1.00 0.00 O ATOM 1314 CB LEU A 80 -18.857 -9.134 -2.481 1.00 0.00 C ATOM 1315 CG LEU A 80 -19.473 -8.513 -1.209 1.00 0.00 C ATOM 1316 CD1 LEU A 80 -18.817 -9.025 0.080 1.00 0.00 C ATOM 1317 CD2 LEU A 80 -19.324 -6.988 -1.265 1.00 0.00 C ATOM 0 H LEU A 80 -18.031 -10.395 -4.409 1.00 0.00 H new ATOM 0 HA LEU A 80 -18.424 -11.083 -1.680 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -17.810 -8.839 -2.544 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -19.359 -8.717 -3.354 1.00 0.00 H new ATOM 0 HG LEU A 80 -20.522 -8.807 -1.186 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -19.291 -8.554 0.941 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -18.938 -10.106 0.145 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -17.755 -8.779 0.070 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -19.758 -6.547 -0.368 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -18.267 -6.728 -1.322 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -19.841 -6.604 -2.145 1.00 0.00 H new ATOM 1329 N SER A 81 -21.065 -11.280 -3.627 1.00 0.00 N ATOM 1330 CA SER A 81 -22.395 -11.861 -3.802 1.00 0.00 C ATOM 1331 C SER A 81 -22.370 -13.400 -3.671 1.00 0.00 C ATOM 1332 O SER A 81 -22.972 -14.123 -4.472 1.00 0.00 O ATOM 1333 CB SER A 81 -22.949 -11.342 -5.141 1.00 0.00 C ATOM 1334 OG SER A 81 -21.940 -11.316 -6.151 1.00 0.00 O ATOM 0 H SER A 81 -20.667 -10.961 -4.510 1.00 0.00 H new ATOM 0 HA SER A 81 -23.072 -11.548 -3.007 1.00 0.00 H new ATOM 0 HB2 SER A 81 -23.773 -11.977 -5.465 1.00 0.00 H new ATOM 0 HB3 SER A 81 -23.354 -10.339 -5.004 1.00 0.00 H new ATOM 0 HG SER A 81 -22.324 -10.983 -6.989 1.00 0.00 H new ATOM 1340 N LYS A 82 -21.623 -13.918 -2.684 1.00 0.00 N ATOM 1341 CA LYS A 82 -21.489 -15.346 -2.383 1.00 0.00 C ATOM 1342 C LYS A 82 -22.864 -15.991 -2.165 1.00 0.00 C ATOM 1343 O LYS A 82 -23.074 -17.145 -2.545 1.00 0.00 O ATOM 1344 CB LYS A 82 -20.559 -15.500 -1.162 1.00 0.00 C ATOM 1345 CG LYS A 82 -20.209 -16.963 -0.849 1.00 0.00 C ATOM 1346 CD LYS A 82 -19.052 -17.097 0.162 1.00 0.00 C ATOM 1347 CE LYS A 82 -19.286 -16.432 1.533 1.00 0.00 C ATOM 1348 NZ LYS A 82 -20.323 -17.120 2.351 1.00 0.00 N ATOM 0 H LYS A 82 -21.078 -13.331 -2.053 1.00 0.00 H new ATOM 0 HA LYS A 82 -21.043 -15.872 -3.227 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -19.639 -14.943 -1.341 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -21.037 -15.053 -0.290 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -21.091 -17.466 -0.454 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -19.939 -17.473 -1.774 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -18.853 -18.157 0.321 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -18.154 -16.667 -0.282 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -18.347 -16.417 2.087 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -19.583 -15.394 1.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -20.433 -16.625 3.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -21.229 -17.113 1.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -20.032 -18.103 2.525 1.00 0.00 H new ATOM 1362 N ASP A 83 -23.812 -15.224 -1.624 1.00 0.00 N ATOM 1363 CA ASP A 83 -25.246 -15.439 -1.788 1.00 0.00 C ATOM 1364 C ASP A 83 -25.878 -14.049 -1.972 1.00 0.00 C ATOM 1365 O ASP A 83 -25.169 -13.034 -1.903 1.00 0.00 O ATOM 1366 CB ASP A 83 -25.835 -16.217 -0.596 1.00 0.00 C ATOM 1367 CG ASP A 83 -27.129 -16.953 -0.997 1.00 0.00 C ATOM 1368 OD1 ASP A 83 -28.183 -16.290 -1.145 1.00 0.00 O ATOM 1369 OD2 ASP A 83 -27.084 -18.193 -1.179 1.00 0.00 O ATOM 0 H ASP A 83 -23.595 -14.414 -1.044 1.00 0.00 H new ATOM 0 HA ASP A 83 -25.461 -16.059 -2.658 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -25.103 -16.936 -0.230 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -26.043 -15.529 0.224 1.00 0.00 H new ATOM 1374 N LEU A 84 -27.187 -13.977 -2.221 1.00 0.00 N ATOM 1375 CA LEU A 84 -27.934 -12.733 -2.372 1.00 0.00 C ATOM 1376 C LEU A 84 -29.395 -12.947 -1.978 1.00 0.00 C ATOM 1377 O LEU A 84 -29.965 -12.107 -1.285 1.00 0.00 O ATOM 1378 CB LEU A 84 -27.829 -12.237 -3.828 1.00 0.00 C ATOM 1379 CG LEU A 84 -28.570 -10.913 -4.108 1.00 0.00 C ATOM 1380 CD1 LEU A 84 -28.050 -9.746 -3.257 1.00 0.00 C ATOM 1381 CD2 LEU A 84 -28.418 -10.550 -5.589 1.00 0.00 C ATOM 0 H LEU A 84 -27.770 -14.807 -2.326 1.00 0.00 H new ATOM 0 HA LEU A 84 -27.510 -11.975 -1.714 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -26.776 -12.110 -4.080 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -28.225 -13.007 -4.490 1.00 0.00 H new ATOM 0 HG LEU A 84 -29.616 -11.071 -3.845 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -28.609 -8.842 -3.498 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -28.178 -9.981 -2.200 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -26.993 -9.585 -3.467 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -28.941 -9.615 -5.790 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -27.361 -10.434 -5.828 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -28.844 -11.343 -6.204 1.00 0.00 H new ATOM 1393 N ASP A 85 -30.005 -14.071 -2.380 1.00 0.00 N ATOM 1394 CA ASP A 85 -31.394 -14.380 -2.025 1.00 0.00 C ATOM 1395 C ASP A 85 -31.547 -14.629 -0.518 1.00 0.00 C ATOM 1396 O ASP A 85 -32.566 -14.255 0.070 1.00 0.00 O ATOM 1397 CB ASP A 85 -31.893 -15.601 -2.803 1.00 0.00 C ATOM 1398 CG ASP A 85 -33.384 -15.872 -2.523 1.00 0.00 C ATOM 1399 OD1 ASP A 85 -34.231 -15.031 -2.914 1.00 0.00 O ATOM 1400 OD2 ASP A 85 -33.718 -16.943 -1.962 1.00 0.00 O ATOM 0 H ASP A 85 -29.554 -14.783 -2.954 1.00 0.00 H new ATOM 0 HA ASP A 85 -31.998 -13.513 -2.293 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -31.745 -15.440 -3.871 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -31.304 -16.476 -2.528 1.00 0.00 H new ATOM 1405 N LYS A 86 -30.529 -15.209 0.133 1.00 0.00 N ATOM 1406 CA LYS A 86 -30.543 -15.520 1.565 1.00 0.00 C ATOM 1407 C LYS A 86 -29.876 -14.404 2.379 1.00 0.00 C ATOM 1408 O LYS A 86 -29.153 -14.679 3.343 1.00 0.00 O ATOM 1409 CB LYS A 86 -29.944 -16.909 1.837 1.00 0.00 C ATOM 1410 CG LYS A 86 -30.543 -18.040 1.001 1.00 0.00 C ATOM 1411 CD LYS A 86 -32.070 -18.065 0.904 1.00 0.00 C ATOM 1412 CE LYS A 86 -32.447 -19.274 0.049 1.00 0.00 C ATOM 1413 NZ LYS A 86 -33.873 -19.239 -0.354 1.00 0.00 N ATOM 0 H LYS A 86 -29.661 -15.478 -0.330 1.00 0.00 H new ATOM 0 HA LYS A 86 -31.579 -15.565 1.900 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -28.871 -16.869 1.652 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -30.077 -17.146 2.892 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -30.136 -17.975 -0.008 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -30.209 -18.990 1.419 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -32.518 -18.140 1.895 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -32.442 -17.144 0.455 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -31.818 -19.300 -0.841 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -32.249 -20.190 0.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -34.117 -20.123 -0.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -34.470 -19.137 0.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -34.034 -18.433 -0.991 1.00 0.00 H new ATOM 1427 N LEU A 87 -30.066 -13.144 1.966 1.00 0.00 N ATOM 1428 CA LEU A 87 -29.682 -11.984 2.766 1.00 0.00 C ATOM 1429 C LEU A 87 -30.316 -12.027 4.164 1.00 0.00 C ATOM 1430 O LEU A 87 -31.346 -12.675 4.371 1.00 0.00 O ATOM 1431 CB LEU A 87 -29.903 -10.662 2.020 1.00 0.00 C ATOM 1432 CG LEU A 87 -31.314 -10.090 1.874 1.00 0.00 C ATOM 1433 CD1 LEU A 87 -32.312 -11.074 1.272 1.00 0.00 C ATOM 1434 CD2 LEU A 87 -31.876 -9.489 3.164 1.00 0.00 C ATOM 0 H LEU A 87 -30.490 -12.905 1.069 1.00 0.00 H new ATOM 0 HA LEU A 87 -28.605 -12.036 2.928 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -29.297 -9.905 2.517 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -29.498 -10.786 1.015 1.00 0.00 H new ATOM 0 HG LEU A 87 -31.185 -9.273 1.164 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -33.291 -10.600 1.198 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -31.977 -11.370 0.278 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -32.383 -11.956 1.909 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -32.879 -9.105 2.979 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -31.918 -10.258 3.935 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -31.232 -8.676 3.497 1.00 0.00 H new ATOM 1446 N VAL A 88 -29.727 -11.284 5.101 1.00 0.00 N ATOM 1447 CA VAL A 88 -30.217 -11.105 6.467 1.00 0.00 C ATOM 1448 C VAL A 88 -30.018 -9.631 6.877 1.00 0.00 C ATOM 1449 O VAL A 88 -29.220 -8.927 6.243 1.00 0.00 O ATOM 1450 CB VAL A 88 -29.514 -12.087 7.436 1.00 0.00 C ATOM 1451 CG1 VAL A 88 -29.787 -13.560 7.093 1.00 0.00 C ATOM 1452 CG2 VAL A 88 -27.999 -11.868 7.513 1.00 0.00 C ATOM 0 H VAL A 88 -28.863 -10.771 4.922 1.00 0.00 H new ATOM 0 HA VAL A 88 -31.281 -11.335 6.516 1.00 0.00 H new ATOM 0 HB VAL A 88 -29.949 -11.866 8.410 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -29.269 -14.202 7.806 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -30.859 -13.753 7.144 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -29.427 -13.772 6.086 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -27.562 -12.586 8.208 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -27.561 -12.007 6.525 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -27.795 -10.856 7.861 1.00 0.00 H new ATOM 1462 N PRO A 89 -30.738 -9.141 7.904 1.00 0.00 N ATOM 1463 CA PRO A 89 -30.559 -7.805 8.459 1.00 0.00 C ATOM 1464 C PRO A 89 -29.112 -7.517 8.895 1.00 0.00 C ATOM 1465 O PRO A 89 -28.348 -8.435 9.218 1.00 0.00 O ATOM 1466 CB PRO A 89 -31.511 -7.723 9.658 1.00 0.00 C ATOM 1467 CG PRO A 89 -32.583 -8.765 9.365 1.00 0.00 C ATOM 1468 CD PRO A 89 -31.824 -9.827 8.580 1.00 0.00 C ATOM 0 HA PRO A 89 -30.777 -7.055 7.699 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -30.992 -7.939 10.592 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -31.942 -6.727 9.755 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -33.013 -9.170 10.281 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -33.406 -8.346 8.786 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -31.440 -10.601 9.245 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -32.479 -10.320 7.861 1.00 0.00 H new ATOM 1476 N ARG A 90 -28.763 -6.228 8.950 1.00 0.00 N ATOM 1477 CA ARG A 90 -27.510 -5.771 9.547 1.00 0.00 C ATOM 1478 C ARG A 90 -27.517 -6.109 11.034 1.00 0.00 C ATOM 1479 O ARG A 90 -26.472 -6.571 11.546 1.00 0.00 O ATOM 1480 CB ARG A 90 -27.295 -4.267 9.333 1.00 0.00 C ATOM 1481 CG ARG A 90 -27.053 -3.916 7.858 1.00 0.00 C ATOM 1482 CD ARG A 90 -26.607 -2.457 7.723 1.00 0.00 C ATOM 1483 NE ARG A 90 -26.371 -2.083 6.314 1.00 0.00 N ATOM 1484 CZ ARG A 90 -25.231 -2.223 5.621 1.00 0.00 C ATOM 1485 NH1 ARG A 90 -24.142 -2.750 6.184 1.00 0.00 N ATOM 1486 NH2 ARG A 90 -25.187 -1.829 4.351 1.00 0.00 N ATOM 1487 OXT ARG A 90 -28.557 -5.896 11.702 1.00 0.00 O ATOM 0 H ARG A 90 -29.343 -5.474 8.581 1.00 0.00 H new ATOM 0 HA ARG A 90 -26.682 -6.283 9.057 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -28.167 -3.723 9.695 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -26.443 -3.936 9.927 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -26.292 -4.576 7.441 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -27.965 -4.079 7.284 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -27.368 -1.804 8.150 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -25.694 -2.301 8.298 1.00 0.00 H new ATOM 0 HE ARG A 90 -27.160 -1.674 5.814 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -24.168 -3.054 7.157 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -23.284 -2.849 5.641 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -26.015 -1.425 3.913 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -24.325 -1.931 3.815 1.00 0.00 H new TER 1501 ARG A 90