USER MOD reduce.3.24.130724 H: found=0, std=0, add=406, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 403 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 7 MET CE :methyl -130:sc= -2.35 (180deg=-8.51!) USER MOD Set 1.2: A 10 THR OG1 : rot 77:sc= 0.377 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -159:sc= -0.129 (180deg=-0.695) USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0.159 USER MOD Single : A 6 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ -124:sc= -1.08 (180deg=-1.48) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot -88:sc= 0.83 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -0.176 X(o=-0.18,f=0) USER MOD Single : A 37 MET CE :methyl 160:sc= -2.68 (180deg=-3.77!) USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.294 -7.884 6.187 1.00 0.00 N ATOM 2 CA MET A 1 3.719 -6.815 5.378 1.00 0.00 C ATOM 3 C MET A 1 2.372 -7.236 4.798 1.00 0.00 C ATOM 4 O MET A 1 2.204 -8.371 4.356 1.00 0.00 O ATOM 5 CB MET A 1 4.676 -6.430 4.249 1.00 0.00 C ATOM 6 CG MET A 1 6.054 -6.012 4.735 1.00 0.00 C ATOM 7 SD MET A 1 7.243 -5.839 3.391 1.00 0.00 S ATOM 8 CE MET A 1 8.788 -5.997 4.283 1.00 0.00 C ATOM 0 H1 MET A 1 4.996 -7.484 6.842 1.00 0.00 H new ATOM 0 H2 MET A 1 3.541 -8.352 6.730 1.00 0.00 H new ATOM 0 H3 MET A 1 4.756 -8.579 5.566 1.00 0.00 H new ATOM 0 HA MET A 1 3.562 -5.950 6.022 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.781 -7.275 3.569 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.239 -5.612 3.676 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.975 -5.065 5.269 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.423 -6.750 5.448 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.621 -5.911 3.586 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.858 -5.208 5.031 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.826 -6.969 4.776 1.00 0.00 H new ATOM 18 N ASN A 2 1.416 -6.313 4.804 1.00 0.00 N ATOM 19 CA ASN A 2 0.084 -6.589 4.279 1.00 0.00 C ATOM 20 C ASN A 2 -0.135 -5.877 2.948 1.00 0.00 C ATOM 21 O ASN A 2 -1.143 -5.197 2.755 1.00 0.00 O ATOM 22 CB ASN A 2 -0.984 -6.154 5.285 1.00 0.00 C ATOM 23 CG ASN A 2 -0.849 -6.867 6.617 1.00 0.00 C ATOM 24 OD1 ASN A 2 -1.411 -7.943 6.817 1.00 0.00 O ATOM 25 ND2 ASN A 2 -0.100 -6.267 7.535 1.00 0.00 N ATOM 0 H ASN A 2 1.539 -5.368 5.167 1.00 0.00 H new ATOM 0 HA ASN A 2 0.002 -7.663 4.114 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -0.913 -5.078 5.443 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -1.972 -6.351 4.869 1.00 0.00 H new ATOM 0 HD21 ASN A 2 0.028 -6.698 8.450 1.00 0.00 H new ATOM 0 HD22 ASN A 2 0.347 -5.375 7.325 1.00 0.00 H new ATOM 32 N ILE A 3 0.815 -6.039 2.034 1.00 0.00 N ATOM 33 CA ILE A 3 0.725 -5.413 0.720 1.00 0.00 C ATOM 34 C ILE A 3 0.752 -6.458 -0.390 1.00 0.00 C ATOM 35 O ILE A 3 1.074 -7.623 -0.154 1.00 0.00 O ATOM 36 CB ILE A 3 1.873 -4.411 0.494 1.00 0.00 C ATOM 37 CG1 ILE A 3 2.293 -3.775 1.821 1.00 0.00 C ATOM 38 CG2 ILE A 3 1.453 -3.340 -0.502 1.00 0.00 C ATOM 39 CD1 ILE A 3 1.164 -3.068 2.537 1.00 0.00 C ATOM 0 H ILE A 3 1.656 -6.598 2.178 1.00 0.00 H new ATOM 0 HA ILE A 3 -0.225 -4.879 0.690 1.00 0.00 H new ATOM 0 HB ILE A 3 2.728 -4.948 0.083 1.00 0.00 H new ATOM 0 HG12 ILE A 3 2.698 -4.549 2.473 1.00 0.00 H new ATOM 0 HG13 ILE A 3 3.097 -3.063 1.635 1.00 0.00 H new ATOM 0 HG21 ILE A 3 2.275 -2.640 -0.651 1.00 0.00 H new ATOM 0 HG22 ILE A 3 1.198 -3.808 -1.453 1.00 0.00 H new ATOM 0 HG23 ILE A 3 0.585 -2.805 -0.116 1.00 0.00 H new ATOM 0 HD11 ILE A 3 1.535 -2.642 3.469 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.774 -2.271 1.904 1.00 0.00 H new ATOM 0 HD13 ILE A 3 0.369 -3.781 2.755 1.00 0.00 H new ATOM 51 N THR A 4 0.413 -6.033 -1.603 1.00 0.00 N ATOM 52 CA THR A 4 0.399 -6.932 -2.751 1.00 0.00 C ATOM 53 C THR A 4 -0.655 -8.021 -2.583 1.00 0.00 C ATOM 54 O THR A 4 -0.366 -9.207 -2.741 1.00 0.00 O ATOM 55 CB THR A 4 1.774 -7.592 -2.965 1.00 0.00 C ATOM 56 OG1 THR A 4 2.813 -6.618 -2.816 1.00 0.00 O ATOM 57 CG2 THR A 4 1.860 -8.227 -4.344 1.00 0.00 C ATOM 0 H THR A 4 0.145 -5.072 -1.816 1.00 0.00 H new ATOM 0 HA THR A 4 0.156 -6.326 -3.624 1.00 0.00 H new ATOM 0 HB THR A 4 1.899 -8.373 -2.215 1.00 0.00 H new ATOM 0 HG1 THR A 4 3.684 -7.046 -2.952 1.00 0.00 H new ATOM 0 HG21 THR A 4 2.840 -8.687 -4.472 1.00 0.00 H new ATOM 0 HG22 THR A 4 1.086 -8.988 -4.443 1.00 0.00 H new ATOM 0 HG23 THR A 4 1.716 -7.462 -5.107 1.00 0.00 H new ATOM 65 N SER A 5 -1.878 -7.610 -2.264 1.00 0.00 N ATOM 66 CA SER A 5 -2.975 -8.552 -2.072 1.00 0.00 C ATOM 67 C SER A 5 -4.240 -8.061 -2.768 1.00 0.00 C ATOM 68 O SER A 5 -4.205 -7.102 -3.539 1.00 0.00 O ATOM 69 CB SER A 5 -3.246 -8.755 -0.580 1.00 0.00 C ATOM 70 OG SER A 5 -3.915 -9.982 -0.345 1.00 0.00 O ATOM 0 H SER A 5 -2.134 -6.631 -2.133 1.00 0.00 H new ATOM 0 HA SER A 5 -2.684 -9.505 -2.514 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.305 -8.740 -0.031 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.849 -7.930 -0.201 1.00 0.00 H new ATOM 0 HG SER A 5 -4.075 -10.089 0.616 1.00 0.00 H new ATOM 76 N GLN A 6 -5.357 -8.727 -2.490 1.00 0.00 N ATOM 77 CA GLN A 6 -6.634 -8.359 -3.090 1.00 0.00 C ATOM 78 C GLN A 6 -7.482 -7.551 -2.114 1.00 0.00 C ATOM 79 O GLN A 6 -8.692 -7.752 -2.013 1.00 0.00 O ATOM 80 CB GLN A 6 -7.395 -9.611 -3.529 1.00 0.00 C ATOM 81 CG GLN A 6 -8.379 -9.360 -4.660 1.00 0.00 C ATOM 82 CD GLN A 6 -7.723 -9.414 -6.026 1.00 0.00 C ATOM 83 OE1 GLN A 6 -6.519 -9.195 -6.159 1.00 0.00 O ATOM 84 NE2 GLN A 6 -8.514 -9.706 -7.052 1.00 0.00 N ATOM 0 H GLN A 6 -5.403 -9.523 -1.854 1.00 0.00 H new ATOM 0 HA GLN A 6 -6.431 -7.740 -3.964 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -6.679 -10.370 -3.844 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -7.934 -10.017 -2.673 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -9.176 -10.102 -4.614 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -8.844 -8.384 -4.522 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -9.507 -9.881 -6.897 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -8.129 -9.756 -7.995 1.00 0.00 H new ATOM 93 N MET A 7 -6.838 -6.636 -1.396 1.00 0.00 N ATOM 94 CA MET A 7 -7.534 -5.796 -0.427 1.00 0.00 C ATOM 95 C MET A 7 -7.833 -4.421 -1.015 1.00 0.00 C ATOM 96 O MET A 7 -7.262 -4.034 -2.034 1.00 0.00 O ATOM 97 CB MET A 7 -6.698 -5.649 0.846 1.00 0.00 C ATOM 98 CG MET A 7 -5.520 -4.701 0.692 1.00 0.00 C ATOM 99 SD MET A 7 -4.002 -5.358 1.412 1.00 0.00 S ATOM 100 CE MET A 7 -2.767 -4.494 0.445 1.00 0.00 C ATOM 0 H MET A 7 -5.836 -6.457 -1.467 1.00 0.00 H new ATOM 0 HA MET A 7 -8.479 -6.278 -0.178 1.00 0.00 H new ATOM 0 HB2 MET A 7 -7.338 -5.292 1.652 1.00 0.00 H new ATOM 0 HB3 MET A 7 -6.328 -6.630 1.143 1.00 0.00 H new ATOM 0 HG2 MET A 7 -5.358 -4.498 -0.367 1.00 0.00 H new ATOM 0 HG3 MET A 7 -5.760 -3.749 1.166 1.00 0.00 H new ATOM 0 HE1 MET A 7 -2.041 -5.210 0.059 1.00 0.00 H new ATOM 0 HE2 MET A 7 -3.250 -3.982 -0.387 1.00 0.00 H new ATOM 0 HE3 MET A 7 -2.257 -3.764 1.074 1.00 0.00 H new ATOM 110 N ASN A 8 -8.732 -3.687 -0.366 1.00 0.00 N ATOM 111 CA ASN A 8 -9.107 -2.355 -0.826 1.00 0.00 C ATOM 112 C ASN A 8 -7.869 -1.505 -1.096 1.00 0.00 C ATOM 113 O ASN A 8 -7.793 -0.801 -2.104 1.00 0.00 O ATOM 114 CB ASN A 8 -9.996 -1.667 0.211 1.00 0.00 C ATOM 115 CG ASN A 8 -10.843 -0.564 -0.395 1.00 0.00 C ATOM 116 OD1 ASN A 8 -11.763 -0.826 -1.169 1.00 0.00 O ATOM 117 ND2 ASN A 8 -10.534 0.679 -0.044 1.00 0.00 N ATOM 0 H ASN A 8 -9.214 -3.992 0.480 1.00 0.00 H new ATOM 0 HA ASN A 8 -9.663 -2.462 -1.758 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -10.647 -2.407 0.676 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -9.372 -1.250 1.001 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -11.068 1.463 -0.420 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -9.763 0.850 0.601 1.00 0.00 H new ATOM 124 N LYS A 9 -6.901 -1.574 -0.189 1.00 0.00 N ATOM 125 CA LYS A 9 -5.665 -0.813 -0.329 1.00 0.00 C ATOM 126 C LYS A 9 -5.072 -0.988 -1.723 1.00 0.00 C ATOM 127 O LYS A 9 -4.813 -0.011 -2.427 1.00 0.00 O ATOM 128 CB LYS A 9 -4.649 -1.253 0.728 1.00 0.00 C ATOM 129 CG LYS A 9 -3.625 -0.184 1.069 1.00 0.00 C ATOM 130 CD LYS A 9 -2.560 -0.068 -0.009 1.00 0.00 C ATOM 131 CE LYS A 9 -1.303 0.607 0.520 1.00 0.00 C ATOM 132 NZ LYS A 9 -0.447 -0.339 1.287 1.00 0.00 N ATOM 0 H LYS A 9 -6.948 -2.150 0.652 1.00 0.00 H new ATOM 0 HA LYS A 9 -5.899 0.242 -0.183 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.181 -1.537 1.636 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -4.129 -2.142 0.372 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -4.127 0.776 1.191 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -3.154 -0.421 2.023 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.311 -1.061 -0.384 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.953 0.502 -0.851 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -0.733 1.018 -0.313 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -1.582 1.444 1.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -0.280 0.040 2.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -0.925 -1.260 1.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 0.463 -0.459 0.798 1.00 0.00 H new ATOM 146 N THR A 10 -4.861 -2.240 -2.119 1.00 0.00 N ATOM 147 CA THR A 10 -4.300 -2.543 -3.429 1.00 0.00 C ATOM 148 C THR A 10 -5.090 -1.857 -4.538 1.00 0.00 C ATOM 149 O THR A 10 -4.513 -1.332 -5.490 1.00 0.00 O ATOM 150 CB THR A 10 -4.278 -4.060 -3.694 1.00 0.00 C ATOM 151 OG1 THR A 10 -4.834 -4.760 -2.575 1.00 0.00 O ATOM 152 CG2 THR A 10 -2.858 -4.545 -3.947 1.00 0.00 C ATOM 0 H THR A 10 -5.071 -3.060 -1.550 1.00 0.00 H new ATOM 0 HA THR A 10 -3.277 -2.167 -3.429 1.00 0.00 H new ATOM 0 HB THR A 10 -4.877 -4.260 -4.582 1.00 0.00 H new ATOM 0 HG1 THR A 10 -5.811 -4.685 -2.595 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.868 -5.619 -4.132 1.00 0.00 H new ATOM 0 HG22 THR A 10 -2.447 -4.031 -4.816 1.00 0.00 H new ATOM 0 HG23 THR A 10 -2.240 -4.332 -3.075 1.00 0.00 H new ATOM 160 N ILE A 11 -6.413 -1.865 -4.407 1.00 0.00 N ATOM 161 CA ILE A 11 -7.281 -1.242 -5.398 1.00 0.00 C ATOM 162 C ILE A 11 -6.932 0.231 -5.587 1.00 0.00 C ATOM 163 O ILE A 11 -6.978 0.752 -6.701 1.00 0.00 O ATOM 164 CB ILE A 11 -8.764 -1.359 -5.000 1.00 0.00 C ATOM 165 CG1 ILE A 11 -9.150 -2.828 -4.813 1.00 0.00 C ATOM 166 CG2 ILE A 11 -9.648 -0.703 -6.050 1.00 0.00 C ATOM 167 CD1 ILE A 11 -10.466 -3.020 -4.093 1.00 0.00 C ATOM 0 H ILE A 11 -6.906 -2.296 -3.625 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.121 -1.774 -6.336 1.00 0.00 H new ATOM 0 HB ILE A 11 -8.913 -0.840 -4.053 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -9.206 -3.308 -5.790 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -8.362 -3.334 -4.255 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -10.693 -0.794 -5.754 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -9.387 0.351 -6.138 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -9.499 -1.196 -7.011 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -10.676 -4.085 -3.996 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -10.408 -2.570 -3.102 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -11.265 -2.543 -4.661 1.00 0.00 H new ATOM 179 N ILE A 12 -6.582 0.895 -4.490 1.00 0.00 N ATOM 180 CA ILE A 12 -6.222 2.307 -4.536 1.00 0.00 C ATOM 181 C ILE A 12 -4.860 2.506 -5.192 1.00 0.00 C ATOM 182 O ILE A 12 -4.736 3.219 -6.186 1.00 0.00 O ATOM 183 CB ILE A 12 -6.195 2.926 -3.126 1.00 0.00 C ATOM 184 CG1 ILE A 12 -7.338 2.365 -2.277 1.00 0.00 C ATOM 185 CG2 ILE A 12 -6.288 4.443 -3.212 1.00 0.00 C ATOM 186 CD1 ILE A 12 -7.542 3.105 -0.973 1.00 0.00 C ATOM 0 H ILE A 12 -6.540 0.478 -3.560 1.00 0.00 H new ATOM 0 HA ILE A 12 -6.986 2.809 -5.130 1.00 0.00 H new ATOM 0 HB ILE A 12 -5.250 2.665 -2.649 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -8.261 2.403 -2.855 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -7.139 1.315 -2.062 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -6.268 4.866 -2.208 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -5.444 4.827 -3.785 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -7.219 4.723 -3.705 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -8.368 2.653 -0.424 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -6.633 3.046 -0.375 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -7.773 4.150 -1.180 1.00 0.00 H new ATOM 198 N GLY A 13 -3.838 1.868 -4.628 1.00 0.00 N ATOM 199 CA GLY A 13 -2.498 1.986 -5.173 1.00 0.00 C ATOM 200 C GLY A 13 -2.431 1.599 -6.636 1.00 0.00 C ATOM 201 O GLY A 13 -1.927 2.358 -7.465 1.00 0.00 O ATOM 0 H GLY A 13 -3.914 1.272 -3.804 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -2.151 3.012 -5.056 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.820 1.353 -4.601 1.00 0.00 H new ATOM 205 N VAL A 14 -2.938 0.413 -6.957 1.00 0.00 N ATOM 206 CA VAL A 14 -2.933 -0.075 -8.331 1.00 0.00 C ATOM 207 C VAL A 14 -3.653 0.894 -9.261 1.00 0.00 C ATOM 208 O VAL A 14 -3.136 1.258 -10.317 1.00 0.00 O ATOM 209 CB VAL A 14 -3.597 -1.461 -8.437 1.00 0.00 C ATOM 210 CG1 VAL A 14 -3.641 -1.922 -9.886 1.00 0.00 C ATOM 211 CG2 VAL A 14 -2.863 -2.471 -7.569 1.00 0.00 C ATOM 0 H VAL A 14 -3.358 -0.228 -6.284 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.889 -0.157 -8.634 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.622 -1.383 -8.075 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -4.113 -2.903 -9.942 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.215 -1.209 -10.477 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.626 -1.985 -10.279 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -3.346 -3.444 -7.656 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.827 -2.549 -7.898 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.890 -2.145 -6.529 1.00 0.00 H new ATOM 221 N SER A 15 -4.851 1.310 -8.861 1.00 0.00 N ATOM 222 CA SER A 15 -5.645 2.236 -9.660 1.00 0.00 C ATOM 223 C SER A 15 -4.870 3.521 -9.933 1.00 0.00 C ATOM 224 O SER A 15 -4.935 4.079 -11.028 1.00 0.00 O ATOM 225 CB SER A 15 -6.959 2.560 -8.948 1.00 0.00 C ATOM 226 OG SER A 15 -7.755 3.441 -9.722 1.00 0.00 O ATOM 0 H SER A 15 -5.293 1.020 -7.988 1.00 0.00 H new ATOM 0 HA SER A 15 -5.866 1.757 -10.614 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.510 1.639 -8.758 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.749 3.011 -7.978 1.00 0.00 H new ATOM 0 HG SER A 15 -8.590 3.631 -9.246 1.00 0.00 H new ATOM 232 N VAL A 16 -4.136 3.987 -8.927 1.00 0.00 N ATOM 233 CA VAL A 16 -3.347 5.206 -9.057 1.00 0.00 C ATOM 234 C VAL A 16 -2.152 4.992 -9.979 1.00 0.00 C ATOM 235 O VAL A 16 -1.957 5.733 -10.943 1.00 0.00 O ATOM 236 CB VAL A 16 -2.842 5.696 -7.686 1.00 0.00 C ATOM 237 CG1 VAL A 16 -1.981 6.940 -7.848 1.00 0.00 C ATOM 238 CG2 VAL A 16 -4.013 5.966 -6.753 1.00 0.00 C ATOM 0 H VAL A 16 -4.072 3.538 -8.013 1.00 0.00 H new ATOM 0 HA VAL A 16 -4.003 5.963 -9.487 1.00 0.00 H new ATOM 0 HB VAL A 16 -2.227 4.913 -7.243 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.633 7.272 -6.870 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.123 6.709 -8.479 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -2.569 7.732 -8.312 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.638 6.311 -5.789 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -4.656 6.732 -7.188 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.585 5.049 -6.612 1.00 0.00 H new ATOM 248 N LEU A 17 -1.354 3.973 -9.677 1.00 0.00 N ATOM 249 CA LEU A 17 -0.177 3.660 -10.480 1.00 0.00 C ATOM 250 C LEU A 17 -0.536 3.565 -11.959 1.00 0.00 C ATOM 251 O LEU A 17 0.201 4.046 -12.820 1.00 0.00 O ATOM 252 CB LEU A 17 0.450 2.346 -10.010 1.00 0.00 C ATOM 253 CG LEU A 17 1.534 2.465 -8.938 1.00 0.00 C ATOM 254 CD1 LEU A 17 1.123 3.470 -7.873 1.00 0.00 C ATOM 255 CD2 LEU A 17 1.816 1.107 -8.313 1.00 0.00 C ATOM 0 H LEU A 17 -1.501 3.350 -8.883 1.00 0.00 H new ATOM 0 HA LEU A 17 0.545 4.467 -10.352 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.344 1.705 -9.626 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.877 1.840 -10.876 1.00 0.00 H new ATOM 0 HG LEU A 17 2.449 2.822 -9.411 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.906 3.541 -7.119 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.972 4.447 -8.333 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.195 3.143 -7.403 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.590 1.210 -7.552 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.905 0.721 -7.854 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.155 0.415 -9.084 1.00 0.00 H new ATOM 267 N SER A 18 -1.675 2.942 -12.248 1.00 0.00 N ATOM 268 CA SER A 18 -2.132 2.782 -13.623 1.00 0.00 C ATOM 269 C SER A 18 -2.439 4.137 -14.254 1.00 0.00 C ATOM 270 O SER A 18 -1.937 4.462 -15.330 1.00 0.00 O ATOM 271 CB SER A 18 -3.374 1.891 -13.670 1.00 0.00 C ATOM 272 OG SER A 18 -4.195 2.100 -12.534 1.00 0.00 O ATOM 0 H SER A 18 -2.298 2.540 -11.547 1.00 0.00 H new ATOM 0 HA SER A 18 -1.333 2.308 -14.193 1.00 0.00 H new ATOM 0 HB2 SER A 18 -3.942 2.101 -14.576 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.073 0.844 -13.717 1.00 0.00 H new ATOM 0 HG SER A 18 -3.902 1.513 -11.806 1.00 0.00 H new ATOM 278 N VAL A 19 -3.269 4.924 -13.576 1.00 0.00 N ATOM 279 CA VAL A 19 -3.644 6.244 -14.068 1.00 0.00 C ATOM 280 C VAL A 19 -2.413 7.055 -14.458 1.00 0.00 C ATOM 281 O VAL A 19 -2.430 7.796 -15.442 1.00 0.00 O ATOM 282 CB VAL A 19 -4.449 7.028 -13.015 1.00 0.00 C ATOM 283 CG1 VAL A 19 -4.728 8.442 -13.500 1.00 0.00 C ATOM 284 CG2 VAL A 19 -5.746 6.302 -12.688 1.00 0.00 C ATOM 0 H VAL A 19 -3.694 4.670 -12.684 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.267 6.088 -14.949 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.855 7.093 -12.103 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -5.298 8.981 -12.743 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.785 8.958 -13.680 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -5.302 8.402 -14.426 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -6.303 6.870 -11.942 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -6.346 6.205 -13.592 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -5.519 5.311 -12.295 1.00 0.00 H new ATOM 294 N LEU A 20 -1.345 6.910 -13.681 1.00 0.00 N ATOM 295 CA LEU A 20 -0.104 7.629 -13.944 1.00 0.00 C ATOM 296 C LEU A 20 0.555 7.127 -15.225 1.00 0.00 C ATOM 297 O LEU A 20 0.759 7.888 -16.171 1.00 0.00 O ATOM 298 CB LEU A 20 0.859 7.472 -12.766 1.00 0.00 C ATOM 299 CG LEU A 20 2.335 7.735 -13.067 1.00 0.00 C ATOM 300 CD1 LEU A 20 2.512 9.093 -13.728 1.00 0.00 C ATOM 301 CD2 LEU A 20 3.162 7.649 -11.792 1.00 0.00 C ATOM 0 H LEU A 20 -1.314 6.301 -12.864 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.344 8.685 -14.070 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.544 8.150 -11.972 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.763 6.458 -12.377 1.00 0.00 H new ATOM 0 HG LEU A 20 2.687 6.969 -13.758 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.569 9.262 -13.934 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.951 9.119 -14.662 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.143 9.873 -13.062 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.210 7.839 -12.025 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.808 8.393 -11.078 1.00 0.00 H new ATOM 0 HD23 LEU A 20 3.061 6.654 -11.359 1.00 0.00 H new ATOM 313 N VAL A 21 0.885 5.839 -15.249 1.00 0.00 N ATOM 314 CA VAL A 21 1.518 5.234 -16.415 1.00 0.00 C ATOM 315 C VAL A 21 0.732 5.536 -17.686 1.00 0.00 C ATOM 316 O VAL A 21 1.297 5.967 -18.690 1.00 0.00 O ATOM 317 CB VAL A 21 1.646 3.707 -16.254 1.00 0.00 C ATOM 318 CG1 VAL A 21 2.481 3.120 -17.382 1.00 0.00 C ATOM 319 CG2 VAL A 21 2.247 3.363 -14.899 1.00 0.00 C ATOM 0 H VAL A 21 0.724 5.195 -14.474 1.00 0.00 H new ATOM 0 HA VAL A 21 2.514 5.669 -16.496 1.00 0.00 H new ATOM 0 HB VAL A 21 0.650 3.268 -16.305 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.561 2.041 -17.252 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.004 3.336 -18.338 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.477 3.562 -17.365 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.330 2.281 -14.802 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.237 3.812 -14.815 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.605 3.750 -14.107 1.00 0.00 H new ATOM 329 N VAL A 22 -0.577 5.307 -17.634 1.00 0.00 N ATOM 330 CA VAL A 22 -1.442 5.556 -18.781 1.00 0.00 C ATOM 331 C VAL A 22 -1.280 6.983 -19.292 1.00 0.00 C ATOM 332 O VAL A 22 -1.002 7.203 -20.471 1.00 0.00 O ATOM 333 CB VAL A 22 -2.922 5.313 -18.430 1.00 0.00 C ATOM 334 CG1 VAL A 22 -3.825 5.812 -19.548 1.00 0.00 C ATOM 335 CG2 VAL A 22 -3.168 3.837 -18.154 1.00 0.00 C ATOM 0 H VAL A 22 -1.061 4.950 -16.810 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.142 4.857 -19.562 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.160 5.873 -17.526 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.867 5.632 -19.282 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.667 6.881 -19.694 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.589 5.282 -20.470 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.219 3.683 -17.908 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.914 3.254 -19.039 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.548 3.515 -17.317 1.00 0.00 H new ATOM 345 N SER A 23 -1.455 7.950 -18.397 1.00 0.00 N ATOM 346 CA SER A 23 -1.332 9.357 -18.758 1.00 0.00 C ATOM 347 C SER A 23 0.030 9.640 -19.385 1.00 0.00 C ATOM 348 O SER A 23 0.121 10.053 -20.541 1.00 0.00 O ATOM 349 CB SER A 23 -1.532 10.241 -17.525 1.00 0.00 C ATOM 350 OG SER A 23 -1.316 11.607 -17.837 1.00 0.00 O ATOM 0 H SER A 23 -1.682 7.785 -17.417 1.00 0.00 H new ATOM 0 HA SER A 23 -2.105 9.588 -19.491 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.542 10.108 -17.138 1.00 0.00 H new ATOM 0 HB3 SER A 23 -0.846 9.932 -16.737 1.00 0.00 H new ATOM 0 HG SER A 23 -1.451 12.151 -17.033 1.00 0.00 H new ATOM 356 N VAL A 24 1.088 9.413 -18.613 1.00 0.00 N ATOM 357 CA VAL A 24 2.447 9.642 -19.091 1.00 0.00 C ATOM 358 C VAL A 24 2.675 8.966 -20.439 1.00 0.00 C ATOM 359 O VAL A 24 3.309 9.533 -21.330 1.00 0.00 O ATOM 360 CB VAL A 24 3.491 9.123 -18.085 1.00 0.00 C ATOM 361 CG1 VAL A 24 4.899 9.328 -18.623 1.00 0.00 C ATOM 362 CG2 VAL A 24 3.320 9.809 -16.739 1.00 0.00 C ATOM 0 H VAL A 24 1.030 9.071 -17.654 1.00 0.00 H new ATOM 0 HA VAL A 24 2.567 10.720 -19.203 1.00 0.00 H new ATOM 0 HB VAL A 24 3.334 8.054 -17.944 1.00 0.00 H new ATOM 0 HG11 VAL A 24 5.623 8.955 -17.899 1.00 0.00 H new ATOM 0 HG12 VAL A 24 5.012 8.785 -19.562 1.00 0.00 H new ATOM 0 HG13 VAL A 24 5.072 10.390 -18.795 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.066 9.430 -16.040 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.449 10.885 -16.860 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.322 9.605 -16.351 1.00 0.00 H new ATOM 372 N VAL A 25 2.155 7.752 -20.582 1.00 0.00 N ATOM 373 CA VAL A 25 2.301 6.999 -21.822 1.00 0.00 C ATOM 374 C VAL A 25 1.791 7.799 -23.014 1.00 0.00 C ATOM 375 O VAL A 25 2.547 8.113 -23.933 1.00 0.00 O ATOM 376 CB VAL A 25 1.545 5.658 -21.756 1.00 0.00 C ATOM 377 CG1 VAL A 25 1.128 5.212 -23.149 1.00 0.00 C ATOM 378 CG2 VAL A 25 2.401 4.597 -21.081 1.00 0.00 C ATOM 0 H VAL A 25 1.629 7.268 -19.854 1.00 0.00 H new ATOM 0 HA VAL A 25 3.365 6.802 -21.949 1.00 0.00 H new ATOM 0 HB VAL A 25 0.643 5.797 -21.160 1.00 0.00 H new ATOM 0 HG11 VAL A 25 0.595 4.263 -23.083 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.475 5.964 -23.592 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.014 5.088 -23.772 1.00 0.00 H new ATOM 0 HG21 VAL A 25 1.852 3.656 -21.043 1.00 0.00 H new ATOM 0 HG22 VAL A 25 3.321 4.457 -21.648 1.00 0.00 H new ATOM 0 HG23 VAL A 25 2.644 4.916 -20.068 1.00 0.00 H new ATOM 388 N ALA A 26 0.503 8.128 -22.993 1.00 0.00 N ATOM 389 CA ALA A 26 -0.108 8.894 -24.071 1.00 0.00 C ATOM 390 C ALA A 26 0.523 10.278 -24.187 1.00 0.00 C ATOM 391 O ALA A 26 0.667 10.816 -25.285 1.00 0.00 O ATOM 392 CB ALA A 26 -1.609 9.014 -23.849 1.00 0.00 C ATOM 0 H ALA A 26 -0.137 7.875 -22.240 1.00 0.00 H new ATOM 0 HA ALA A 26 0.069 8.363 -25.006 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.052 9.589 -24.662 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.054 8.019 -23.823 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.797 9.520 -22.902 1.00 0.00 H new ATOM 398 N VAL A 27 0.897 10.850 -23.047 1.00 0.00 N ATOM 399 CA VAL A 27 1.513 12.171 -23.021 1.00 0.00 C ATOM 400 C VAL A 27 2.692 12.247 -23.985 1.00 0.00 C ATOM 401 O VAL A 27 2.697 13.056 -24.915 1.00 0.00 O ATOM 402 CB VAL A 27 1.998 12.536 -21.605 1.00 0.00 C ATOM 403 CG1 VAL A 27 2.955 13.718 -21.657 1.00 0.00 C ATOM 404 CG2 VAL A 27 0.815 12.837 -20.698 1.00 0.00 C ATOM 0 H VAL A 27 0.784 10.419 -22.129 1.00 0.00 H new ATOM 0 HA VAL A 27 0.748 12.883 -23.330 1.00 0.00 H new ATOM 0 HB VAL A 27 2.535 11.682 -21.192 1.00 0.00 H new ATOM 0 HG11 VAL A 27 3.287 13.962 -20.648 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.818 13.461 -22.271 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.446 14.579 -22.089 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.176 13.093 -19.702 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.248 13.675 -21.105 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.171 11.960 -20.636 1.00 0.00 H new ATOM 414 N LEU A 28 3.689 11.400 -23.759 1.00 0.00 N ATOM 415 CA LEU A 28 4.875 11.370 -24.609 1.00 0.00 C ATOM 416 C LEU A 28 4.520 10.925 -26.024 1.00 0.00 C ATOM 417 O LEU A 28 5.122 11.376 -26.998 1.00 0.00 O ATOM 418 CB LEU A 28 5.928 10.432 -24.016 1.00 0.00 C ATOM 419 CG LEU A 28 6.469 10.815 -22.638 1.00 0.00 C ATOM 420 CD1 LEU A 28 6.400 9.629 -21.689 1.00 0.00 C ATOM 421 CD2 LEU A 28 7.897 11.328 -22.750 1.00 0.00 C ATOM 0 H LEU A 28 3.701 10.725 -22.995 1.00 0.00 H new ATOM 0 HA LEU A 28 5.283 12.380 -24.657 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.499 9.432 -23.951 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.766 10.375 -24.710 1.00 0.00 H new ATOM 0 HG LEU A 28 5.847 11.614 -22.234 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.789 9.920 -20.713 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.364 9.306 -21.585 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.997 8.809 -22.088 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.266 11.596 -21.760 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.531 10.550 -23.175 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.919 12.206 -23.395 1.00 0.00 H new ATOM 433 N VAL A 29 3.535 10.038 -26.130 1.00 0.00 N ATOM 434 CA VAL A 29 3.097 9.534 -27.426 1.00 0.00 C ATOM 435 C VAL A 29 2.700 10.676 -28.354 1.00 0.00 C ATOM 436 O VAL A 29 3.153 10.748 -29.497 1.00 0.00 O ATOM 437 CB VAL A 29 1.906 8.569 -27.280 1.00 0.00 C ATOM 438 CG1 VAL A 29 1.232 8.344 -28.624 1.00 0.00 C ATOM 439 CG2 VAL A 29 2.361 7.249 -26.675 1.00 0.00 C ATOM 0 H VAL A 29 3.026 9.654 -25.334 1.00 0.00 H new ATOM 0 HA VAL A 29 3.941 8.995 -27.857 1.00 0.00 H new ATOM 0 HB VAL A 29 1.177 9.019 -26.606 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.393 7.659 -28.500 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.870 9.296 -29.013 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.950 7.916 -29.324 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.507 6.579 -26.579 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.110 6.791 -27.321 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.793 7.430 -25.691 1.00 0.00 H new ATOM 449 N TYR A 30 1.851 11.568 -27.856 1.00 0.00 N ATOM 450 CA TYR A 30 1.390 12.707 -28.641 1.00 0.00 C ATOM 451 C TYR A 30 2.402 13.848 -28.590 1.00 0.00 C ATOM 452 O TYR A 30 2.736 14.444 -29.614 1.00 0.00 O ATOM 453 CB TYR A 30 0.033 13.191 -28.128 1.00 0.00 C ATOM 454 CG TYR A 30 -0.754 13.981 -29.150 1.00 0.00 C ATOM 455 CD1 TYR A 30 -0.951 15.348 -28.998 1.00 0.00 C ATOM 456 CD2 TYR A 30 -1.300 13.360 -30.267 1.00 0.00 C ATOM 457 CE1 TYR A 30 -1.670 16.073 -29.929 1.00 0.00 C ATOM 458 CE2 TYR A 30 -2.018 14.078 -31.203 1.00 0.00 C ATOM 459 CZ TYR A 30 -2.201 15.434 -31.030 1.00 0.00 C ATOM 460 OH TYR A 30 -2.917 16.152 -31.959 1.00 0.00 O ATOM 0 H TYR A 30 1.468 11.524 -26.912 1.00 0.00 H new ATOM 0 HA TYR A 30 1.285 12.384 -29.677 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -0.556 12.329 -27.815 1.00 0.00 H new ATOM 0 HB3 TYR A 30 0.188 13.809 -27.244 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -0.535 15.852 -28.138 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.160 12.298 -30.405 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -1.815 17.135 -29.795 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.434 13.580 -32.066 1.00 0.00 H new ATOM 0 HH TYR A 30 -3.220 15.553 -32.673 1.00 0.00 H new ATOM 470 N LYS A 31 2.887 14.147 -27.390 1.00 0.00 N ATOM 471 CA LYS A 31 3.862 15.215 -27.202 1.00 0.00 C ATOM 472 C LYS A 31 5.089 14.991 -28.080 1.00 0.00 C ATOM 473 O LYS A 31 5.430 15.831 -28.914 1.00 0.00 O ATOM 474 CB LYS A 31 4.282 15.298 -25.733 1.00 0.00 C ATOM 475 CG LYS A 31 5.348 16.345 -25.463 1.00 0.00 C ATOM 476 CD LYS A 31 6.284 15.913 -24.347 1.00 0.00 C ATOM 477 CE LYS A 31 7.087 14.682 -24.738 1.00 0.00 C ATOM 478 NZ LYS A 31 8.494 14.761 -24.257 1.00 0.00 N ATOM 0 H LYS A 31 2.621 13.664 -26.532 1.00 0.00 H new ATOM 0 HA LYS A 31 3.394 16.155 -27.493 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.405 15.520 -25.125 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.653 14.324 -25.414 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.922 16.524 -26.372 1.00 0.00 H new ATOM 0 HG3 LYS A 31 4.873 17.289 -25.196 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.964 16.730 -24.104 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.706 15.701 -23.448 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.612 13.792 -24.325 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.080 14.573 -25.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 9.008 13.903 -24.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 8.956 15.596 -24.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 8.502 14.839 -23.220 1.00 0.00 H new ATOM 492 N PHE A 32 5.749 13.854 -27.889 1.00 0.00 N ATOM 493 CA PHE A 32 6.938 13.520 -28.664 1.00 0.00 C ATOM 494 C PHE A 32 6.589 13.320 -30.136 1.00 0.00 C ATOM 495 O PHE A 32 7.449 13.431 -31.010 1.00 0.00 O ATOM 496 CB PHE A 32 7.597 12.256 -28.108 1.00 0.00 C ATOM 497 CG PHE A 32 9.081 12.205 -28.334 1.00 0.00 C ATOM 498 CD1 PHE A 32 9.957 12.717 -27.391 1.00 0.00 C ATOM 499 CD2 PHE A 32 9.600 11.645 -29.491 1.00 0.00 C ATOM 500 CE1 PHE A 32 11.323 12.671 -27.596 1.00 0.00 C ATOM 501 CE2 PHE A 32 10.965 11.595 -29.701 1.00 0.00 C ATOM 502 CZ PHE A 32 11.828 12.110 -28.753 1.00 0.00 C ATOM 0 H PHE A 32 5.480 13.148 -27.204 1.00 0.00 H new ATOM 0 HA PHE A 32 7.638 14.351 -28.584 1.00 0.00 H new ATOM 0 HB2 PHE A 32 7.398 12.193 -27.038 1.00 0.00 H new ATOM 0 HB3 PHE A 32 7.137 11.383 -28.570 1.00 0.00 H new ATOM 0 HD1 PHE A 32 9.568 13.157 -26.485 1.00 0.00 H new ATOM 0 HD2 PHE A 32 8.930 11.243 -30.237 1.00 0.00 H new ATOM 0 HE1 PHE A 32 11.995 13.073 -26.852 1.00 0.00 H new ATOM 0 HE2 PHE A 32 11.357 11.154 -30.605 1.00 0.00 H new ATOM 0 HZ PHE A 32 12.895 12.074 -28.916 1.00 0.00 H new ATOM 512 N TYR A 33 5.322 13.023 -30.402 1.00 0.00 N ATOM 513 CA TYR A 33 4.859 12.804 -31.767 1.00 0.00 C ATOM 514 C TYR A 33 5.391 13.885 -32.703 1.00 0.00 C ATOM 515 O TYR A 33 5.998 13.587 -33.733 1.00 0.00 O ATOM 516 CB TYR A 33 3.330 12.783 -31.812 1.00 0.00 C ATOM 517 CG TYR A 33 2.767 11.818 -32.831 1.00 0.00 C ATOM 518 CD1 TYR A 33 2.052 10.695 -32.433 1.00 0.00 C ATOM 519 CD2 TYR A 33 2.952 12.028 -34.192 1.00 0.00 C ATOM 520 CE1 TYR A 33 1.536 9.810 -33.360 1.00 0.00 C ATOM 521 CE2 TYR A 33 2.439 11.149 -35.127 1.00 0.00 C ATOM 522 CZ TYR A 33 1.732 10.042 -34.705 1.00 0.00 C ATOM 523 OH TYR A 33 1.221 9.163 -35.633 1.00 0.00 O ATOM 0 H TYR A 33 4.597 12.928 -29.690 1.00 0.00 H new ATOM 0 HA TYR A 33 5.239 11.839 -32.102 1.00 0.00 H new ATOM 0 HB2 TYR A 33 2.950 12.519 -30.825 1.00 0.00 H new ATOM 0 HB3 TYR A 33 2.968 13.786 -32.035 1.00 0.00 H new ATOM 0 HD1 TYR A 33 1.897 10.511 -31.380 1.00 0.00 H new ATOM 0 HD2 TYR A 33 3.506 12.893 -34.525 1.00 0.00 H new ATOM 0 HE1 TYR A 33 0.983 8.942 -33.033 1.00 0.00 H new ATOM 0 HE2 TYR A 33 2.591 11.328 -36.181 1.00 0.00 H new ATOM 0 HH TYR A 33 1.447 9.472 -36.535 1.00 0.00 H new ATOM 533 N PHE A 34 5.160 15.141 -32.338 1.00 0.00 N ATOM 534 CA PHE A 34 5.616 16.268 -33.144 1.00 0.00 C ATOM 535 C PHE A 34 7.135 16.255 -33.287 1.00 0.00 C ATOM 536 O PHE A 34 7.673 16.597 -34.341 1.00 0.00 O ATOM 537 CB PHE A 34 5.163 17.588 -32.516 1.00 0.00 C ATOM 538 CG PHE A 34 4.569 18.550 -33.505 1.00 0.00 C ATOM 539 CD1 PHE A 34 5.170 19.774 -33.746 1.00 0.00 C ATOM 540 CD2 PHE A 34 3.410 18.229 -34.192 1.00 0.00 C ATOM 541 CE1 PHE A 34 4.627 20.662 -34.656 1.00 0.00 C ATOM 542 CE2 PHE A 34 2.862 19.112 -35.104 1.00 0.00 C ATOM 543 CZ PHE A 34 3.471 20.331 -35.335 1.00 0.00 C ATOM 0 H PHE A 34 4.660 15.405 -31.489 1.00 0.00 H new ATOM 0 HA PHE A 34 5.174 16.175 -34.136 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.428 17.378 -31.739 1.00 0.00 H new ATOM 0 HB3 PHE A 34 6.016 18.061 -32.029 1.00 0.00 H new ATOM 0 HD1 PHE A 34 6.074 20.038 -33.217 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.929 17.279 -34.013 1.00 0.00 H new ATOM 0 HE1 PHE A 34 5.106 21.613 -34.836 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.959 18.849 -35.635 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.044 21.023 -36.045 1.00 0.00 H new ATOM 553 N HIS A 35 7.821 15.859 -32.220 1.00 0.00 N ATOM 554 CA HIS A 35 9.278 15.801 -32.226 1.00 0.00 C ATOM 555 C HIS A 35 9.787 15.054 -33.455 1.00 0.00 C ATOM 556 O HIS A 35 10.835 15.389 -34.009 1.00 0.00 O ATOM 557 CB HIS A 35 9.788 15.122 -30.954 1.00 0.00 C ATOM 558 CG HIS A 35 10.901 15.866 -30.283 1.00 0.00 C ATOM 559 ND1 HIS A 35 10.930 16.115 -28.927 1.00 0.00 N ATOM 560 CD2 HIS A 35 12.030 16.416 -30.789 1.00 0.00 C ATOM 561 CE1 HIS A 35 12.028 16.787 -28.628 1.00 0.00 C ATOM 562 NE2 HIS A 35 12.713 16.982 -29.740 1.00 0.00 N ATOM 0 H HIS A 35 7.391 15.573 -31.340 1.00 0.00 H new ATOM 0 HA HIS A 35 9.657 16.822 -32.261 1.00 0.00 H new ATOM 0 HB2 HIS A 35 8.960 15.013 -30.253 1.00 0.00 H new ATOM 0 HB3 HIS A 35 10.131 14.117 -31.201 1.00 0.00 H new ATOM 0 HD2 HIS A 35 12.337 16.411 -31.825 1.00 0.00 H new ATOM 0 HE1 HIS A 35 12.316 17.120 -27.642 1.00 0.00 H new ATOM 0 HE2 HIS A 35 13.604 17.473 -29.809 1.00 0.00 H new ATOM 570 N LEU A 36 9.040 14.039 -33.876 1.00 0.00 N ATOM 571 CA LEU A 36 9.416 13.243 -35.039 1.00 0.00 C ATOM 572 C LEU A 36 9.419 14.096 -36.304 1.00 0.00 C ATOM 573 O LEU A 36 10.370 14.063 -37.084 1.00 0.00 O ATOM 574 CB LEU A 36 8.455 12.065 -35.207 1.00 0.00 C ATOM 575 CG LEU A 36 8.641 10.903 -34.230 1.00 0.00 C ATOM 576 CD1 LEU A 36 10.079 10.410 -34.255 1.00 0.00 C ATOM 577 CD2 LEU A 36 8.243 11.321 -32.822 1.00 0.00 C ATOM 0 H LEU A 36 8.170 13.748 -33.429 1.00 0.00 H new ATOM 0 HA LEU A 36 10.424 12.861 -34.878 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.435 12.437 -35.108 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.557 11.680 -36.222 1.00 0.00 H new ATOM 0 HG LEU A 36 7.992 10.084 -34.541 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.192 9.583 -33.554 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.330 10.070 -35.260 1.00 0.00 H new ATOM 0 HD13 LEU A 36 10.747 11.222 -33.969 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.382 10.482 -32.140 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.865 12.156 -32.501 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.196 11.625 -32.815 1.00 0.00 H new ATOM 589 N MET A 37 8.349 14.860 -36.499 1.00 0.00 N ATOM 590 CA MET A 37 8.231 15.724 -37.668 1.00 0.00 C ATOM 591 C MET A 37 9.351 16.759 -37.695 1.00 0.00 C ATOM 592 O MET A 37 9.999 16.960 -38.723 1.00 0.00 O ATOM 593 CB MET A 37 6.871 16.426 -37.674 1.00 0.00 C ATOM 594 CG MET A 37 5.791 15.652 -38.411 1.00 0.00 C ATOM 595 SD MET A 37 4.231 15.606 -37.508 1.00 0.00 S ATOM 596 CE MET A 37 4.678 14.578 -36.111 1.00 0.00 C ATOM 0 H MET A 37 7.552 14.898 -35.863 1.00 0.00 H new ATOM 0 HA MET A 37 8.315 15.102 -38.559 1.00 0.00 H new ATOM 0 HB2 MET A 37 6.551 16.589 -36.645 1.00 0.00 H new ATOM 0 HB3 MET A 37 6.980 17.408 -38.134 1.00 0.00 H new ATOM 0 HG2 MET A 37 5.627 16.106 -39.389 1.00 0.00 H new ATOM 0 HG3 MET A 37 6.135 14.633 -38.586 1.00 0.00 H new ATOM 0 HE1 MET A 37 3.967 14.737 -35.300 1.00 0.00 H new ATOM 0 HE2 MET A 37 4.659 13.530 -36.410 1.00 0.00 H new ATOM 0 HE3 MET A 37 5.680 14.840 -35.772 1.00 0.00 H new ATOM 606 N LEU A 38 9.573 17.413 -36.560 1.00 0.00 N ATOM 607 CA LEU A 38 10.616 18.428 -36.454 1.00 0.00 C ATOM 608 C LEU A 38 12.000 17.805 -36.605 1.00 0.00 C ATOM 609 O LEU A 38 12.910 18.416 -37.166 1.00 0.00 O ATOM 610 CB LEU A 38 10.514 19.152 -35.110 1.00 0.00 C ATOM 611 CG LEU A 38 9.112 19.599 -34.693 1.00 0.00 C ATOM 612 CD1 LEU A 38 9.176 20.446 -33.431 1.00 0.00 C ATOM 613 CD2 LEU A 38 8.440 20.369 -35.821 1.00 0.00 C ATOM 0 H LEU A 38 9.045 17.259 -35.701 1.00 0.00 H new ATOM 0 HA LEU A 38 10.472 19.147 -37.260 1.00 0.00 H new ATOM 0 HB2 LEU A 38 10.910 18.495 -34.335 1.00 0.00 H new ATOM 0 HB3 LEU A 38 11.159 20.030 -35.143 1.00 0.00 H new ATOM 0 HG LEU A 38 8.516 18.711 -34.481 1.00 0.00 H new ATOM 0 HD11 LEU A 38 8.170 20.755 -33.149 1.00 0.00 H new ATOM 0 HD12 LEU A 38 9.616 19.862 -32.623 1.00 0.00 H new ATOM 0 HD13 LEU A 38 9.788 21.329 -33.616 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.443 20.679 -35.507 1.00 0.00 H new ATOM 0 HD22 LEU A 38 9.034 21.250 -36.065 1.00 0.00 H new ATOM 0 HD23 LEU A 38 8.360 19.730 -36.701 1.00 0.00 H new ATOM 625 N LEU A 39 12.151 16.584 -36.103 1.00 0.00 N ATOM 626 CA LEU A 39 13.425 15.877 -36.184 1.00 0.00 C ATOM 627 C LEU A 39 13.731 15.470 -37.622 1.00 0.00 C ATOM 628 O LEU A 39 14.873 15.558 -38.072 1.00 0.00 O ATOM 629 CB LEU A 39 13.400 14.638 -35.286 1.00 0.00 C ATOM 630 CG LEU A 39 13.844 14.850 -33.838 1.00 0.00 C ATOM 631 CD1 LEU A 39 13.475 13.647 -32.985 1.00 0.00 C ATOM 632 CD2 LEU A 39 15.342 15.114 -33.773 1.00 0.00 C ATOM 0 H LEU A 39 11.408 16.064 -35.636 1.00 0.00 H new ATOM 0 HA LEU A 39 14.210 16.551 -35.842 1.00 0.00 H new ATOM 0 HB2 LEU A 39 12.386 14.239 -35.279 1.00 0.00 H new ATOM 0 HB3 LEU A 39 14.039 13.877 -35.733 1.00 0.00 H new ATOM 0 HG LEU A 39 13.324 15.723 -33.442 1.00 0.00 H new ATOM 0 HD11 LEU A 39 13.799 13.816 -31.958 1.00 0.00 H new ATOM 0 HD12 LEU A 39 12.395 13.504 -33.006 1.00 0.00 H new ATOM 0 HD13 LEU A 39 13.967 12.757 -33.379 1.00 0.00 H new ATOM 0 HD21 LEU A 39 15.641 15.263 -32.735 1.00 0.00 H new ATOM 0 HD22 LEU A 39 15.880 14.261 -34.187 1.00 0.00 H new ATOM 0 HD23 LEU A 39 15.579 16.008 -34.350 1.00 0.00 H new ATOM 644 N ALA A 40 12.703 15.028 -38.338 1.00 0.00 N ATOM 645 CA ALA A 40 12.861 14.612 -39.726 1.00 0.00 C ATOM 646 C ALA A 40 13.084 15.814 -40.637 1.00 0.00 C ATOM 647 O ALA A 40 14.028 15.842 -41.425 1.00 0.00 O ATOM 648 CB ALA A 40 11.645 13.820 -40.182 1.00 0.00 C ATOM 0 H ALA A 40 11.751 14.949 -37.980 1.00 0.00 H new ATOM 0 HA ALA A 40 13.741 13.973 -39.790 1.00 0.00 H new ATOM 0 HB1 ALA A 40 11.777 13.516 -41.220 1.00 0.00 H new ATOM 0 HB2 ALA A 40 11.532 12.935 -39.556 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.753 14.441 -40.096 1.00 0.00 H new ATOM 654 N GLY A 41 12.207 16.808 -40.524 1.00 0.00 N ATOM 655 CA GLY A 41 12.325 17.999 -41.344 1.00 0.00 C ATOM 656 C GLY A 41 13.152 19.081 -40.679 1.00 0.00 C ATOM 657 O GLY A 41 12.951 20.269 -40.932 1.00 0.00 O ATOM 0 H GLY A 41 11.417 16.809 -39.879 1.00 0.00 H new ATOM 0 HA2 GLY A 41 12.778 17.735 -42.299 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.330 18.388 -41.560 1.00 0.00 H new ATOM 661 N CYS A 42 14.084 18.671 -39.826 1.00 0.00 N ATOM 662 CA CYS A 42 14.943 19.615 -39.120 1.00 0.00 C ATOM 663 C CYS A 42 15.811 20.398 -40.100 1.00 0.00 C ATOM 664 O CYS A 42 16.167 21.549 -39.846 1.00 0.00 O ATOM 665 CB CYS A 42 15.828 18.877 -38.114 1.00 0.00 C ATOM 666 SG CYS A 42 16.694 19.963 -36.957 1.00 0.00 S ATOM 0 H CYS A 42 14.264 17.691 -39.606 1.00 0.00 H new ATOM 0 HA CYS A 42 14.305 20.319 -38.585 1.00 0.00 H new ATOM 0 HB2 CYS A 42 15.212 18.178 -37.548 1.00 0.00 H new ATOM 0 HB3 CYS A 42 16.563 18.284 -38.659 1.00 0.00 H new ATOM 0 HG CYS A 42 17.414 19.247 -36.146 1.00 0.00 H new ATOM 672 N ILE A 43 16.148 19.766 -41.219 1.00 0.00 N ATOM 673 CA ILE A 43 16.974 20.404 -42.237 1.00 0.00 C ATOM 674 C ILE A 43 16.131 20.863 -43.421 1.00 0.00 C ATOM 675 O ILE A 43 15.235 20.150 -43.874 1.00 0.00 O ATOM 676 CB ILE A 43 18.076 19.454 -42.743 1.00 0.00 C ATOM 677 CG1 ILE A 43 18.919 18.946 -41.571 1.00 0.00 C ATOM 678 CG2 ILE A 43 18.953 20.159 -43.767 1.00 0.00 C ATOM 679 CD1 ILE A 43 18.479 17.596 -41.051 1.00 0.00 C ATOM 0 H ILE A 43 15.862 18.813 -41.444 1.00 0.00 H new ATOM 0 HA ILE A 43 17.439 21.271 -41.768 1.00 0.00 H new ATOM 0 HB ILE A 43 17.605 18.598 -43.225 1.00 0.00 H new ATOM 0 HG12 ILE A 43 19.961 18.884 -41.884 1.00 0.00 H new ATOM 0 HG13 ILE A 43 18.873 19.672 -40.759 1.00 0.00 H new ATOM 0 HG21 ILE A 43 19.727 19.475 -44.115 1.00 0.00 H new ATOM 0 HG22 ILE A 43 18.342 20.477 -44.612 1.00 0.00 H new ATOM 0 HG23 ILE A 43 19.419 21.031 -43.308 1.00 0.00 H new ATOM 0 HD11 ILE A 43 19.121 17.299 -40.222 1.00 0.00 H new ATOM 0 HD12 ILE A 43 17.447 17.657 -40.707 1.00 0.00 H new ATOM 0 HD13 ILE A 43 18.552 16.857 -41.849 1.00 0.00 H new ATOM 691 N LYS A 44 16.425 22.058 -43.921 1.00 0.00 N ATOM 692 CA LYS A 44 15.697 22.613 -45.056 1.00 0.00 C ATOM 693 C LYS A 44 16.647 22.951 -46.200 1.00 0.00 C ATOM 694 O LYS A 44 17.867 22.933 -46.032 1.00 0.00 O ATOM 695 CB LYS A 44 14.928 23.866 -44.631 1.00 0.00 C ATOM 696 CG LYS A 44 15.824 25.007 -44.182 1.00 0.00 C ATOM 697 CD LYS A 44 15.072 26.327 -44.148 1.00 0.00 C ATOM 698 CE LYS A 44 16.017 27.502 -43.944 1.00 0.00 C ATOM 699 NZ LYS A 44 15.315 28.808 -44.078 1.00 0.00 N ATOM 0 H LYS A 44 17.163 22.661 -43.558 1.00 0.00 H new ATOM 0 HA LYS A 44 14.990 21.860 -45.405 1.00 0.00 H new ATOM 0 HB2 LYS A 44 14.313 24.205 -45.465 1.00 0.00 H new ATOM 0 HB3 LYS A 44 14.249 23.607 -43.819 1.00 0.00 H new ATOM 0 HG2 LYS A 44 16.223 24.789 -43.191 1.00 0.00 H new ATOM 0 HG3 LYS A 44 16.675 25.090 -44.858 1.00 0.00 H new ATOM 0 HD2 LYS A 44 14.523 26.458 -45.080 1.00 0.00 H new ATOM 0 HD3 LYS A 44 14.336 26.307 -43.344 1.00 0.00 H new ATOM 0 HE2 LYS A 44 16.473 27.434 -42.956 1.00 0.00 H new ATOM 0 HE3 LYS A 44 16.826 27.448 -44.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 15.993 29.583 -43.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 14.902 28.884 -45.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 14.559 28.871 -43.366 1.00 0.00 H new ATOM 713 N TYR A 45 16.082 23.259 -47.362 1.00 0.00 N ATOM 714 CA TYR A 45 16.879 23.600 -48.534 1.00 0.00 C ATOM 715 C TYR A 45 17.176 25.096 -48.574 1.00 0.00 C ATOM 716 O TYR A 45 16.442 25.902 -48.006 1.00 0.00 O ATOM 717 CB TYR A 45 16.152 23.178 -49.812 1.00 0.00 C ATOM 718 CG TYR A 45 15.895 21.691 -49.899 1.00 0.00 C ATOM 719 CD1 TYR A 45 14.877 21.098 -49.162 1.00 0.00 C ATOM 720 CD2 TYR A 45 16.670 20.878 -50.717 1.00 0.00 C ATOM 721 CE1 TYR A 45 14.638 19.740 -49.238 1.00 0.00 C ATOM 722 CE2 TYR A 45 16.437 19.519 -50.801 1.00 0.00 C ATOM 723 CZ TYR A 45 15.420 18.955 -50.059 1.00 0.00 C ATOM 724 OH TYR A 45 15.186 17.601 -50.138 1.00 0.00 O ATOM 0 H TYR A 45 15.074 23.279 -47.517 1.00 0.00 H new ATOM 0 HA TYR A 45 17.825 23.062 -48.468 1.00 0.00 H new ATOM 0 HB2 TYR A 45 15.201 23.707 -49.870 1.00 0.00 H new ATOM 0 HB3 TYR A 45 16.742 23.487 -50.675 1.00 0.00 H new ATOM 0 HD1 TYR A 45 14.262 21.710 -48.519 1.00 0.00 H new ATOM 0 HD2 TYR A 45 17.469 21.316 -51.297 1.00 0.00 H new ATOM 0 HE1 TYR A 45 13.843 19.295 -48.658 1.00 0.00 H new ATOM 0 HE2 TYR A 45 17.047 18.902 -51.444 1.00 0.00 H new ATOM 0 HH TYR A 45 15.824 17.195 -50.761 1.00 0.00 H new ATOM 734 N GLY A 46 18.261 25.459 -49.253 1.00 0.00 N ATOM 735 CA GLY A 46 18.637 26.857 -49.356 1.00 0.00 C ATOM 736 C GLY A 46 19.317 27.178 -50.672 1.00 0.00 C ATOM 737 O GLY A 46 20.010 26.335 -51.243 1.00 0.00 O ATOM 0 H GLY A 46 18.885 24.810 -49.733 1.00 0.00 H new ATOM 0 HA2 GLY A 46 17.748 27.478 -49.249 1.00 0.00 H new ATOM 0 HA3 GLY A 46 19.305 27.112 -48.533 1.00 0.00 H new ATOM 741 N ARG A 47 19.119 28.400 -51.157 1.00 0.00 N ATOM 742 CA ARG A 47 19.716 28.829 -52.415 1.00 0.00 C ATOM 743 C ARG A 47 21.239 28.855 -52.314 1.00 0.00 C ATOM 744 O ARG A 47 21.802 29.529 -51.453 1.00 0.00 O ATOM 745 CB ARG A 47 19.197 30.214 -52.805 1.00 0.00 C ATOM 746 CG ARG A 47 19.171 30.455 -54.306 1.00 0.00 C ATOM 747 CD ARG A 47 17.997 29.746 -54.963 1.00 0.00 C ATOM 748 NE ARG A 47 17.839 30.132 -56.363 1.00 0.00 N ATOM 749 CZ ARG A 47 16.736 29.905 -57.067 1.00 0.00 C ATOM 750 NH1 ARG A 47 15.700 29.298 -56.506 1.00 0.00 N ATOM 751 NH2 ARG A 47 16.668 30.286 -58.337 1.00 0.00 N ATOM 0 H ARG A 47 18.549 29.110 -50.697 1.00 0.00 H new ATOM 0 HA ARG A 47 19.432 28.112 -53.185 1.00 0.00 H new ATOM 0 HB2 ARG A 47 18.190 30.340 -52.408 1.00 0.00 H new ATOM 0 HB3 ARG A 47 19.822 30.973 -52.335 1.00 0.00 H new ATOM 0 HG2 ARG A 47 19.108 31.525 -54.503 1.00 0.00 H new ATOM 0 HG3 ARG A 47 20.103 30.104 -54.748 1.00 0.00 H new ATOM 0 HD2 ARG A 47 18.142 28.668 -54.898 1.00 0.00 H new ATOM 0 HD3 ARG A 47 17.082 29.978 -54.418 1.00 0.00 H new ATOM 0 HE ARG A 47 18.618 30.601 -56.825 1.00 0.00 H new ATOM 0 HH11 ARG A 47 15.748 29.004 -55.531 1.00 0.00 H new ATOM 0 HH12 ARG A 47 14.854 29.125 -57.050 1.00 0.00 H new ATOM 0 HH21 ARG A 47 17.463 30.753 -58.773 1.00 0.00 H new ATOM 0 HH22 ARG A 47 15.821 30.111 -58.877 1.00 0.00 H new ATOM 765 N GLY A 48 21.899 28.115 -53.199 1.00 0.00 N ATOM 766 CA GLY A 48 23.349 28.066 -53.192 1.00 0.00 C ATOM 767 C GLY A 48 23.896 27.236 -52.047 1.00 0.00 C ATOM 768 O GLY A 48 23.288 26.244 -51.646 1.00 0.00 O ATOM 0 H GLY A 48 21.455 27.548 -53.921 1.00 0.00 H new ATOM 0 HA2 GLY A 48 23.700 27.652 -54.137 1.00 0.00 H new ATOM 0 HA3 GLY A 48 23.743 29.080 -53.123 1.00 0.00 H new TER 772 GLY A 48