USER MOD reduce.3.24.130724 H: found=0, std=0, add=837, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 831 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -164:sc= -0.664 (180deg=-1.1) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.104 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-1!) USER MOD Single : A 20 LYS NZ :NH3+ -170:sc= 0.155 (180deg=0.133) USER MOD Single : A 30 TYR OH : rot 180:sc= -0.026 USER MOD Single : A 34 HIS : no HE2:sc= -1.71 K(o=-1.7,f=-7.3!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN :FLIP amide:sc= -0.22 F(o=-1.1!,f=-0.22) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 146:sc= -3.11! (180deg=-6.56!) USER MOD Single : A 57 HIS : no HD1:sc= -0.521 X(o=-0.52,f=-0.94!) USER MOD Single : A 59 GLN : amide:sc= -0.0594 X(o=-0.059,f=0) USER MOD Single : A 63 HIS : no HE2:sc= -2.05! C(o=-2.1!,f=-7.1!) USER MOD Single : A 64 CYS SG : rot 136:sc= -3.05! USER MOD Single : A 65 GLN : amide:sc= -1.19 K(o=-1.2,f=-4.7!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot -130:sc= 0.0123 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 ASN :FLIP amide:sc= -0.174 F(o=-1.3!,f=-0.17) USER MOD Single : A 73 ASN : amide:sc= -6.57! C(o=-6.6!,f=-6.6!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 146:sc= -2.5 (180deg=-5.15!) USER MOD Single : A 106 ASN :FLIP amide:sc= -0.189 F(o=-3.3!,f=-0.19) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.350 -1.591 14.166 1.00 0.00 N ATOM 2 CA MET A 1 5.391 -0.703 14.755 1.00 0.00 C ATOM 3 C MET A 1 6.742 -1.022 14.125 1.00 0.00 C ATOM 4 O MET A 1 7.652 -0.193 14.129 1.00 0.00 O ATOM 5 CB MET A 1 5.454 -0.928 16.267 1.00 0.00 C ATOM 6 CG MET A 1 4.566 0.098 16.973 1.00 0.00 C ATOM 7 SD MET A 1 5.455 1.669 17.116 1.00 0.00 S ATOM 8 CE MET A 1 4.002 2.743 17.198 1.00 0.00 C ATOM 0 H1 MET A 1 3.407 -1.209 14.379 1.00 0.00 H new ATOM 0 H2 MET A 1 4.479 -1.641 13.135 1.00 0.00 H new ATOM 0 H3 MET A 1 4.437 -2.545 14.572 1.00 0.00 H new ATOM 0 HA MET A 1 5.141 0.340 14.558 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.124 -1.938 16.509 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.482 -0.836 16.616 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.641 0.241 16.414 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.287 -0.266 17.962 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.322 3.781 17.290 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.411 2.625 16.290 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.397 2.471 18.063 1.00 0.00 H new ATOM 18 N ALA A 2 6.865 -2.229 13.583 1.00 0.00 N ATOM 19 CA ALA A 2 8.108 -2.648 12.950 1.00 0.00 C ATOM 20 C ALA A 2 8.176 -2.133 11.516 1.00 0.00 C ATOM 21 O ALA A 2 9.079 -2.490 10.760 1.00 0.00 O ATOM 22 CB ALA A 2 8.204 -4.175 12.949 1.00 0.00 C ATOM 0 H ALA A 2 6.124 -2.930 13.570 1.00 0.00 H new ATOM 0 HA ALA A 2 8.942 -2.232 13.516 1.00 0.00 H new ATOM 0 HB1 ALA A 2 9.136 -4.481 12.474 1.00 0.00 H new ATOM 0 HB2 ALA A 2 8.182 -4.542 13.975 1.00 0.00 H new ATOM 0 HB3 ALA A 2 7.362 -4.592 12.397 1.00 0.00 H new ATOM 28 N LEU A 3 7.215 -1.291 11.148 1.00 0.00 N ATOM 29 CA LEU A 3 7.176 -0.736 9.800 1.00 0.00 C ATOM 30 C LEU A 3 7.869 0.621 9.758 1.00 0.00 C ATOM 31 O LEU A 3 7.795 1.398 10.711 1.00 0.00 O ATOM 32 CB LEU A 3 5.726 -0.586 9.337 1.00 0.00 C ATOM 33 CG LEU A 3 4.977 0.346 10.291 1.00 0.00 C ATOM 34 CD1 LEU A 3 4.718 1.685 9.598 1.00 0.00 C ATOM 35 CD2 LEU A 3 3.641 -0.291 10.679 1.00 0.00 C ATOM 0 H LEU A 3 6.459 -0.980 11.759 1.00 0.00 H new ATOM 0 HA LEU A 3 7.701 -1.419 9.132 1.00 0.00 H new ATOM 0 HB2 LEU A 3 5.697 -0.186 8.324 1.00 0.00 H new ATOM 0 HB3 LEU A 3 5.240 -1.561 9.309 1.00 0.00 H new ATOM 0 HG LEU A 3 5.578 0.509 11.186 1.00 0.00 H new ATOM 0 HD11 LEU A 3 4.184 2.349 10.278 1.00 0.00 H new ATOM 0 HD12 LEU A 3 5.668 2.140 9.318 1.00 0.00 H new ATOM 0 HD13 LEU A 3 4.117 1.522 8.704 1.00 0.00 H new ATOM 0 HD21 LEU A 3 3.106 0.372 11.359 1.00 0.00 H new ATOM 0 HD22 LEU A 3 3.041 -0.453 9.783 1.00 0.00 H new ATOM 0 HD23 LEU A 3 3.823 -1.246 11.172 1.00 0.00 H new ATOM 47 N THR A 4 8.542 0.901 8.647 1.00 0.00 N ATOM 48 CA THR A 4 9.247 2.167 8.488 1.00 0.00 C ATOM 49 C THR A 4 8.683 2.949 7.306 1.00 0.00 C ATOM 50 O THR A 4 8.167 2.365 6.353 1.00 0.00 O ATOM 51 CB THR A 4 10.740 1.911 8.268 1.00 0.00 C ATOM 52 OG1 THR A 4 11.286 1.285 9.420 1.00 0.00 O ATOM 53 CG2 THR A 4 11.458 3.238 8.017 1.00 0.00 C ATOM 0 H THR A 4 8.614 0.272 7.847 1.00 0.00 H new ATOM 0 HA THR A 4 9.110 2.754 9.396 1.00 0.00 H new ATOM 0 HB THR A 4 10.873 1.261 7.403 1.00 0.00 H new ATOM 0 HG1 THR A 4 12.242 1.119 9.280 1.00 0.00 H new ATOM 0 HG21 THR A 4 12.521 3.053 7.861 1.00 0.00 H new ATOM 0 HG22 THR A 4 11.039 3.717 7.132 1.00 0.00 H new ATOM 0 HG23 THR A 4 11.327 3.892 8.879 1.00 0.00 H new ATOM 61 N THR A 5 8.786 4.273 7.374 1.00 0.00 N ATOM 62 CA THR A 5 8.284 5.127 6.304 1.00 0.00 C ATOM 63 C THR A 5 9.255 5.144 5.129 1.00 0.00 C ATOM 64 O THR A 5 10.465 5.014 5.309 1.00 0.00 O ATOM 65 CB THR A 5 8.090 6.553 6.826 1.00 0.00 C ATOM 66 OG1 THR A 5 8.910 6.751 7.969 1.00 0.00 O ATOM 67 CG2 THR A 5 6.623 6.767 7.204 1.00 0.00 C ATOM 0 H THR A 5 9.210 4.775 8.154 1.00 0.00 H new ATOM 0 HA THR A 5 7.328 4.728 5.964 1.00 0.00 H new ATOM 0 HB THR A 5 8.368 7.266 6.050 1.00 0.00 H new ATOM 0 HG1 THR A 5 8.789 7.664 8.304 1.00 0.00 H new ATOM 0 HG21 THR A 5 6.487 7.783 7.575 1.00 0.00 H new ATOM 0 HG22 THR A 5 5.995 6.615 6.326 1.00 0.00 H new ATOM 0 HG23 THR A 5 6.340 6.056 7.980 1.00 0.00 H new ATOM 75 N ILE A 6 8.716 5.309 3.924 1.00 0.00 N ATOM 76 CA ILE A 6 9.550 5.346 2.728 1.00 0.00 C ATOM 77 C ILE A 6 9.104 6.469 1.804 1.00 0.00 C ATOM 78 O ILE A 6 7.981 6.966 1.902 1.00 0.00 O ATOM 79 CB ILE A 6 9.484 3.994 1.990 1.00 0.00 C ATOM 80 CG1 ILE A 6 10.882 3.373 1.942 1.00 0.00 C ATOM 81 CG2 ILE A 6 8.966 4.179 0.558 1.00 0.00 C ATOM 82 CD1 ILE A 6 10.779 1.878 1.624 1.00 0.00 C ATOM 0 H ILE A 6 7.717 5.418 3.751 1.00 0.00 H new ATOM 0 HA ILE A 6 10.581 5.532 3.030 1.00 0.00 H new ATOM 0 HB ILE A 6 8.799 3.339 2.528 1.00 0.00 H new ATOM 0 HG12 ILE A 6 11.486 3.874 1.185 1.00 0.00 H new ATOM 0 HG13 ILE A 6 11.386 3.516 2.898 1.00 0.00 H new ATOM 0 HG21 ILE A 6 8.928 3.212 0.057 1.00 0.00 H new ATOM 0 HG22 ILE A 6 7.966 4.613 0.586 1.00 0.00 H new ATOM 0 HG23 ILE A 6 9.635 4.844 0.012 1.00 0.00 H new ATOM 0 HD11 ILE A 6 11.778 1.443 1.592 1.00 0.00 H new ATOM 0 HD12 ILE A 6 10.192 1.381 2.397 1.00 0.00 H new ATOM 0 HD13 ILE A 6 10.294 1.744 0.657 1.00 0.00 H new ATOM 94 N SER A 7 9.988 6.849 0.894 1.00 0.00 N ATOM 95 CA SER A 7 9.679 7.899 -0.062 1.00 0.00 C ATOM 96 C SER A 7 9.244 7.273 -1.385 1.00 0.00 C ATOM 97 O SER A 7 9.860 6.317 -1.852 1.00 0.00 O ATOM 98 CB SER A 7 10.907 8.781 -0.287 1.00 0.00 C ATOM 99 OG SER A 7 11.919 8.021 -0.935 1.00 0.00 O ATOM 0 H SER A 7 10.921 6.448 0.798 1.00 0.00 H new ATOM 0 HA SER A 7 8.870 8.514 0.332 1.00 0.00 H new ATOM 0 HB2 SER A 7 10.641 9.646 -0.894 1.00 0.00 H new ATOM 0 HB3 SER A 7 11.276 9.161 0.666 1.00 0.00 H new ATOM 0 HG SER A 7 12.707 8.584 -1.082 1.00 0.00 H new ATOM 105 N PRO A 8 8.204 7.777 -1.991 1.00 0.00 N ATOM 106 CA PRO A 8 7.699 7.234 -3.278 1.00 0.00 C ATOM 107 C PRO A 8 8.841 6.877 -4.222 1.00 0.00 C ATOM 108 O PRO A 8 8.654 6.145 -5.195 1.00 0.00 O ATOM 109 CB PRO A 8 6.850 8.372 -3.838 1.00 0.00 C ATOM 110 CG PRO A 8 6.377 9.141 -2.646 1.00 0.00 C ATOM 111 CD PRO A 8 7.397 8.916 -1.525 1.00 0.00 C ATOM 0 HA PRO A 8 7.137 6.309 -3.152 1.00 0.00 H new ATOM 0 HB2 PRO A 8 7.434 9.005 -4.507 1.00 0.00 H new ATOM 0 HB3 PRO A 8 6.010 7.987 -4.416 1.00 0.00 H new ATOM 0 HG2 PRO A 8 6.293 10.202 -2.882 1.00 0.00 H new ATOM 0 HG3 PRO A 8 5.387 8.803 -2.339 1.00 0.00 H new ATOM 0 HD2 PRO A 8 8.013 9.801 -1.364 1.00 0.00 H new ATOM 0 HD3 PRO A 8 6.905 8.694 -0.578 1.00 0.00 H new ATOM 119 N HIS A 9 10.023 7.403 -3.925 1.00 0.00 N ATOM 120 CA HIS A 9 11.198 7.143 -4.747 1.00 0.00 C ATOM 121 C HIS A 9 11.797 5.776 -4.424 1.00 0.00 C ATOM 122 O HIS A 9 12.378 5.126 -5.293 1.00 0.00 O ATOM 123 CB HIS A 9 12.247 8.229 -4.514 1.00 0.00 C ATOM 124 CG HIS A 9 12.918 8.561 -5.818 1.00 0.00 C ATOM 125 ND1 HIS A 9 12.384 9.474 -6.713 1.00 0.00 N ATOM 126 CD2 HIS A 9 14.079 8.107 -6.395 1.00 0.00 C ATOM 127 CE1 HIS A 9 13.215 9.540 -7.769 1.00 0.00 C ATOM 128 NE2 HIS A 9 14.264 8.726 -7.626 1.00 0.00 N ATOM 0 H HIS A 9 10.193 8.010 -3.123 1.00 0.00 H new ATOM 0 HA HIS A 9 10.891 7.150 -5.793 1.00 0.00 H new ATOM 0 HB2 HIS A 9 11.778 9.120 -4.096 1.00 0.00 H new ATOM 0 HB3 HIS A 9 12.985 7.888 -3.789 1.00 0.00 H new ATOM 0 HD2 HIS A 9 14.747 7.379 -5.958 1.00 0.00 H new ATOM 0 HE1 HIS A 9 13.053 10.174 -8.628 1.00 0.00 H new ATOM 0 HE2 HIS A 9 15.035 8.588 -8.279 1.00 0.00 H new ATOM 136 N ASP A 10 11.657 5.341 -3.174 1.00 0.00 N ATOM 137 CA ASP A 10 12.195 4.050 -2.769 1.00 0.00 C ATOM 138 C ASP A 10 11.299 2.924 -3.272 1.00 0.00 C ATOM 139 O ASP A 10 11.766 1.987 -3.921 1.00 0.00 O ATOM 140 CB ASP A 10 12.302 3.986 -1.245 1.00 0.00 C ATOM 141 CG ASP A 10 13.748 4.200 -0.812 1.00 0.00 C ATOM 142 OD1 ASP A 10 14.617 3.549 -1.367 1.00 0.00 O ATOM 143 OD2 ASP A 10 13.966 5.015 0.071 1.00 0.00 O ATOM 0 H ASP A 10 11.181 5.858 -2.434 1.00 0.00 H new ATOM 0 HA ASP A 10 13.188 3.931 -3.204 1.00 0.00 H new ATOM 0 HB2 ASP A 10 11.663 4.746 -0.796 1.00 0.00 H new ATOM 0 HB3 ASP A 10 11.947 3.019 -0.888 1.00 0.00 H new ATOM 148 N ALA A 11 10.007 3.027 -2.975 1.00 0.00 N ATOM 149 CA ALA A 11 9.054 2.014 -3.411 1.00 0.00 C ATOM 150 C ALA A 11 9.264 1.691 -4.886 1.00 0.00 C ATOM 151 O ALA A 11 9.031 0.565 -5.325 1.00 0.00 O ATOM 152 CB ALA A 11 7.625 2.513 -3.194 1.00 0.00 C ATOM 0 H ALA A 11 9.600 3.794 -2.440 1.00 0.00 H new ATOM 0 HA ALA A 11 9.214 1.110 -2.823 1.00 0.00 H new ATOM 0 HB1 ALA A 11 6.919 1.750 -3.522 1.00 0.00 H new ATOM 0 HB2 ALA A 11 7.469 2.720 -2.135 1.00 0.00 H new ATOM 0 HB3 ALA A 11 7.467 3.425 -3.769 1.00 0.00 H new ATOM 158 N GLN A 12 9.709 2.687 -5.645 1.00 0.00 N ATOM 159 CA GLN A 12 9.951 2.498 -7.070 1.00 0.00 C ATOM 160 C GLN A 12 11.143 1.571 -7.288 1.00 0.00 C ATOM 161 O GLN A 12 11.050 0.586 -8.020 1.00 0.00 O ATOM 162 CB GLN A 12 10.221 3.848 -7.737 1.00 0.00 C ATOM 163 CG GLN A 12 10.084 3.706 -9.255 1.00 0.00 C ATOM 164 CD GLN A 12 10.740 4.896 -9.948 1.00 0.00 C ATOM 165 OE1 GLN A 12 11.017 5.910 -9.308 1.00 0.00 O ATOM 166 NE2 GLN A 12 11.005 4.833 -11.224 1.00 0.00 N ATOM 0 H GLN A 12 9.908 3.626 -5.300 1.00 0.00 H new ATOM 0 HA GLN A 12 9.065 2.045 -7.516 1.00 0.00 H new ATOM 0 HB2 GLN A 12 9.519 4.595 -7.366 1.00 0.00 H new ATOM 0 HB3 GLN A 12 11.222 4.197 -7.483 1.00 0.00 H new ATOM 0 HG2 GLN A 12 10.551 2.778 -9.586 1.00 0.00 H new ATOM 0 HG3 GLN A 12 9.031 3.649 -9.530 1.00 0.00 H new ATOM 0 HE21 GLN A 12 10.774 3.991 -11.752 1.00 0.00 H new ATOM 0 HE22 GLN A 12 11.443 5.625 -11.694 1.00 0.00 H new ATOM 175 N GLU A 13 12.261 1.894 -6.645 1.00 0.00 N ATOM 176 CA GLU A 13 13.465 1.081 -6.771 1.00 0.00 C ATOM 177 C GLU A 13 13.178 -0.363 -6.376 1.00 0.00 C ATOM 178 O GLU A 13 13.701 -1.298 -6.981 1.00 0.00 O ATOM 179 CB GLU A 13 14.572 1.647 -5.880 1.00 0.00 C ATOM 180 CG GLU A 13 15.014 3.009 -6.416 1.00 0.00 C ATOM 181 CD GLU A 13 16.507 3.204 -6.177 1.00 0.00 C ATOM 182 OE1 GLU A 13 16.905 3.223 -5.024 1.00 0.00 O ATOM 183 OE2 GLU A 13 17.232 3.331 -7.150 1.00 0.00 O ATOM 0 H GLU A 13 12.358 2.707 -6.036 1.00 0.00 H new ATOM 0 HA GLU A 13 13.790 1.103 -7.811 1.00 0.00 H new ATOM 0 HB2 GLU A 13 14.213 1.747 -4.856 1.00 0.00 H new ATOM 0 HB3 GLU A 13 15.419 0.962 -5.856 1.00 0.00 H new ATOM 0 HG2 GLU A 13 14.796 3.078 -7.482 1.00 0.00 H new ATOM 0 HG3 GLU A 13 14.452 3.803 -5.924 1.00 0.00 H new ATOM 190 N LEU A 14 12.344 -0.536 -5.355 1.00 0.00 N ATOM 191 CA LEU A 14 11.993 -1.872 -4.886 1.00 0.00 C ATOM 192 C LEU A 14 11.108 -2.581 -5.904 1.00 0.00 C ATOM 193 O LEU A 14 11.280 -3.771 -6.166 1.00 0.00 O ATOM 194 CB LEU A 14 11.259 -1.782 -3.550 1.00 0.00 C ATOM 195 CG LEU A 14 12.094 -0.972 -2.561 1.00 0.00 C ATOM 196 CD1 LEU A 14 11.329 -0.839 -1.246 1.00 0.00 C ATOM 197 CD2 LEU A 14 13.423 -1.689 -2.308 1.00 0.00 C ATOM 0 H LEU A 14 11.902 0.226 -4.840 1.00 0.00 H new ATOM 0 HA LEU A 14 12.913 -2.443 -4.758 1.00 0.00 H new ATOM 0 HB2 LEU A 14 10.285 -1.313 -3.689 1.00 0.00 H new ATOM 0 HB3 LEU A 14 11.077 -2.782 -3.155 1.00 0.00 H new ATOM 0 HG LEU A 14 12.289 0.018 -2.972 1.00 0.00 H new ATOM 0 HD11 LEU A 14 11.922 -0.261 -0.537 1.00 0.00 H new ATOM 0 HD12 LEU A 14 10.382 -0.331 -1.426 1.00 0.00 H new ATOM 0 HD13 LEU A 14 11.137 -1.830 -0.835 1.00 0.00 H new ATOM 0 HD21 LEU A 14 14.020 -1.111 -1.602 1.00 0.00 H new ATOM 0 HD22 LEU A 14 13.229 -2.679 -1.895 1.00 0.00 H new ATOM 0 HD23 LEU A 14 13.967 -1.788 -3.247 1.00 0.00 H new ATOM 209 N ILE A 15 10.166 -1.842 -6.481 1.00 0.00 N ATOM 210 CA ILE A 15 9.273 -2.420 -7.475 1.00 0.00 C ATOM 211 C ILE A 15 10.088 -3.190 -8.503 1.00 0.00 C ATOM 212 O ILE A 15 9.591 -4.110 -9.152 1.00 0.00 O ATOM 213 CB ILE A 15 8.484 -1.315 -8.174 1.00 0.00 C ATOM 214 CG1 ILE A 15 7.280 -0.924 -7.314 1.00 0.00 C ATOM 215 CG2 ILE A 15 7.996 -1.820 -9.534 1.00 0.00 C ATOM 216 CD1 ILE A 15 6.733 0.427 -7.780 1.00 0.00 C ATOM 0 H ILE A 15 10.003 -0.855 -6.280 1.00 0.00 H new ATOM 0 HA ILE A 15 8.577 -3.096 -6.979 1.00 0.00 H new ATOM 0 HB ILE A 15 9.126 -0.446 -8.317 1.00 0.00 H new ATOM 0 HG12 ILE A 15 6.505 -1.687 -7.388 1.00 0.00 H new ATOM 0 HG13 ILE A 15 7.572 -0.867 -6.265 1.00 0.00 H new ATOM 0 HG21 ILE A 15 7.433 -1.032 -10.034 1.00 0.00 H new ATOM 0 HG22 ILE A 15 8.853 -2.099 -10.147 1.00 0.00 H new ATOM 0 HG23 ILE A 15 7.355 -2.689 -9.390 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.876 0.704 -7.166 1.00 0.00 H new ATOM 0 HD12 ILE A 15 7.509 1.187 -7.683 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.424 0.354 -8.823 1.00 0.00 H new ATOM 228 N ALA A 16 11.351 -2.804 -8.631 1.00 0.00 N ATOM 229 CA ALA A 16 12.252 -3.459 -9.571 1.00 0.00 C ATOM 230 C ALA A 16 12.839 -4.717 -8.941 1.00 0.00 C ATOM 231 O ALA A 16 13.261 -5.639 -9.640 1.00 0.00 O ATOM 232 CB ALA A 16 13.381 -2.505 -9.967 1.00 0.00 C ATOM 0 H ALA A 16 11.774 -2.044 -8.098 1.00 0.00 H new ATOM 0 HA ALA A 16 11.689 -3.735 -10.463 1.00 0.00 H new ATOM 0 HB1 ALA A 16 14.049 -3.003 -10.669 1.00 0.00 H new ATOM 0 HB2 ALA A 16 12.959 -1.616 -10.436 1.00 0.00 H new ATOM 0 HB3 ALA A 16 13.941 -2.215 -9.078 1.00 0.00 H new ATOM 238 N ARG A 17 12.860 -4.742 -7.614 1.00 0.00 N ATOM 239 CA ARG A 17 13.393 -5.887 -6.888 1.00 0.00 C ATOM 240 C ARG A 17 12.343 -6.989 -6.782 1.00 0.00 C ATOM 241 O ARG A 17 12.638 -8.163 -7.003 1.00 0.00 O ATOM 242 CB ARG A 17 13.826 -5.455 -5.485 1.00 0.00 C ATOM 243 CG ARG A 17 14.997 -4.478 -5.592 1.00 0.00 C ATOM 244 CD ARG A 17 16.302 -5.216 -5.293 1.00 0.00 C ATOM 245 NE ARG A 17 17.442 -4.453 -5.792 1.00 0.00 N ATOM 246 CZ ARG A 17 18.619 -5.033 -6.003 1.00 0.00 C ATOM 247 NH1 ARG A 17 18.768 -6.309 -5.772 1.00 0.00 N ATOM 248 NH2 ARG A 17 19.624 -4.329 -6.445 1.00 0.00 N ATOM 0 H ARG A 17 12.516 -3.986 -7.022 1.00 0.00 H new ATOM 0 HA ARG A 17 14.254 -6.273 -7.433 1.00 0.00 H new ATOM 0 HB2 ARG A 17 12.992 -4.984 -4.964 1.00 0.00 H new ATOM 0 HB3 ARG A 17 14.118 -6.326 -4.898 1.00 0.00 H new ATOM 0 HG2 ARG A 17 15.033 -4.044 -6.591 1.00 0.00 H new ATOM 0 HG3 ARG A 17 14.863 -3.654 -4.891 1.00 0.00 H new ATOM 0 HD2 ARG A 17 16.402 -5.371 -4.219 1.00 0.00 H new ATOM 0 HD3 ARG A 17 16.285 -6.202 -5.757 1.00 0.00 H new ATOM 0 HE ARG A 17 17.333 -3.457 -5.982 1.00 0.00 H new ATOM 0 HH11 ARG A 17 17.981 -6.861 -5.430 1.00 0.00 H new ATOM 0 HH12 ARG A 17 19.671 -6.755 -5.934 1.00 0.00 H new ATOM 0 HH21 ARG A 17 19.507 -3.333 -6.629 1.00 0.00 H new ATOM 0 HH22 ARG A 17 20.527 -4.775 -6.607 1.00 0.00 H new ATOM 262 N GLY A 18 11.116 -6.601 -6.444 1.00 0.00 N ATOM 263 CA GLY A 18 10.031 -7.566 -6.315 1.00 0.00 C ATOM 264 C GLY A 18 9.094 -7.191 -5.170 1.00 0.00 C ATOM 265 O GLY A 18 8.048 -7.813 -4.985 1.00 0.00 O ATOM 0 H GLY A 18 10.851 -5.634 -6.256 1.00 0.00 H new ATOM 0 HA2 GLY A 18 9.469 -7.613 -7.248 1.00 0.00 H new ATOM 0 HA3 GLY A 18 10.443 -8.560 -6.141 1.00 0.00 H new ATOM 269 N ALA A 19 9.475 -6.172 -4.405 1.00 0.00 N ATOM 270 CA ALA A 19 8.657 -5.727 -3.282 1.00 0.00 C ATOM 271 C ALA A 19 7.182 -6.018 -3.542 1.00 0.00 C ATOM 272 O ALA A 19 6.733 -6.029 -4.689 1.00 0.00 O ATOM 273 CB ALA A 19 8.850 -4.227 -3.056 1.00 0.00 C ATOM 0 H ALA A 19 10.337 -5.643 -4.540 1.00 0.00 H new ATOM 0 HA ALA A 19 8.971 -6.272 -2.392 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.236 -3.904 -2.216 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.899 -4.024 -2.838 1.00 0.00 H new ATOM 0 HB3 ALA A 19 8.554 -3.683 -3.953 1.00 0.00 H new ATOM 279 N LYS A 20 6.433 -6.256 -2.469 1.00 0.00 N ATOM 280 CA LYS A 20 5.011 -6.551 -2.591 1.00 0.00 C ATOM 281 C LYS A 20 4.171 -5.341 -2.192 1.00 0.00 C ATOM 282 O LYS A 20 3.935 -5.101 -1.007 1.00 0.00 O ATOM 283 CB LYS A 20 4.652 -7.739 -1.692 1.00 0.00 C ATOM 284 CG LYS A 20 4.957 -9.063 -2.403 1.00 0.00 C ATOM 285 CD LYS A 20 3.879 -10.089 -2.051 1.00 0.00 C ATOM 286 CE LYS A 20 2.638 -9.842 -2.912 1.00 0.00 C ATOM 287 NZ LYS A 20 2.864 -10.392 -4.278 1.00 0.00 N ATOM 0 H LYS A 20 6.785 -6.250 -1.512 1.00 0.00 H new ATOM 0 HA LYS A 20 4.798 -6.797 -3.631 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.216 -7.681 -0.761 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.595 -7.696 -1.428 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.990 -8.910 -3.482 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.938 -9.432 -2.103 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.255 -11.099 -2.217 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.622 -10.014 -0.994 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.767 -10.314 -2.458 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.428 -8.774 -2.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 2.099 -10.079 -4.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.776 -10.050 -4.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.875 -11.431 -4.236 1.00 0.00 H new ATOM 301 N LEU A 21 3.711 -4.592 -3.189 1.00 0.00 N ATOM 302 CA LEU A 21 2.886 -3.417 -2.930 1.00 0.00 C ATOM 303 C LEU A 21 1.431 -3.834 -2.738 1.00 0.00 C ATOM 304 O LEU A 21 0.850 -4.497 -3.598 1.00 0.00 O ATOM 305 CB LEU A 21 2.991 -2.435 -4.100 1.00 0.00 C ATOM 306 CG LEU A 21 4.397 -1.834 -4.138 1.00 0.00 C ATOM 307 CD1 LEU A 21 5.349 -2.806 -4.838 1.00 0.00 C ATOM 308 CD2 LEU A 21 4.362 -0.512 -4.908 1.00 0.00 C ATOM 0 H LEU A 21 3.893 -4.775 -4.176 1.00 0.00 H new ATOM 0 HA LEU A 21 3.242 -2.930 -2.022 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.777 -2.947 -5.038 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.249 -1.644 -3.992 1.00 0.00 H new ATOM 0 HG LEU A 21 4.745 -1.655 -3.121 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.351 -2.378 -4.865 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.372 -3.749 -4.292 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.003 -2.984 -5.856 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.363 -0.081 -4.937 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.015 -0.693 -5.925 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.683 0.181 -4.411 1.00 0.00 H new ATOM 320 N ILE A 22 0.852 -3.457 -1.603 1.00 0.00 N ATOM 321 CA ILE A 22 -0.530 -3.818 -1.312 1.00 0.00 C ATOM 322 C ILE A 22 -1.386 -2.583 -1.047 1.00 0.00 C ATOM 323 O ILE A 22 -0.976 -1.672 -0.328 1.00 0.00 O ATOM 324 CB ILE A 22 -0.579 -4.728 -0.087 1.00 0.00 C ATOM 325 CG1 ILE A 22 0.458 -5.844 -0.236 1.00 0.00 C ATOM 326 CG2 ILE A 22 -1.974 -5.344 0.037 1.00 0.00 C ATOM 327 CD1 ILE A 22 0.277 -6.863 0.890 1.00 0.00 C ATOM 0 H ILE A 22 1.312 -2.908 -0.877 1.00 0.00 H new ATOM 0 HA ILE A 22 -0.929 -4.336 -2.184 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.358 -4.144 0.806 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.346 -6.332 -1.204 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.464 -5.426 -0.204 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.008 -5.994 0.912 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -2.714 -4.551 0.145 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.195 -5.927 -0.857 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.015 -7.658 0.784 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.411 -6.369 1.853 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -0.725 -7.289 0.837 1.00 0.00 H new ATOM 339 N ASP A 23 -2.585 -2.576 -1.618 1.00 0.00 N ATOM 340 CA ASP A 23 -3.510 -1.466 -1.428 1.00 0.00 C ATOM 341 C ASP A 23 -4.626 -1.884 -0.474 1.00 0.00 C ATOM 342 O ASP A 23 -5.159 -2.988 -0.581 1.00 0.00 O ATOM 343 CB ASP A 23 -4.112 -1.044 -2.769 1.00 0.00 C ATOM 344 CG ASP A 23 -4.947 0.218 -2.591 1.00 0.00 C ATOM 345 OD1 ASP A 23 -4.427 1.176 -2.045 1.00 0.00 O ATOM 346 OD2 ASP A 23 -6.096 0.207 -3.001 1.00 0.00 O ATOM 0 H ASP A 23 -2.938 -3.324 -2.214 1.00 0.00 H new ATOM 0 HA ASP A 23 -2.966 -0.622 -1.003 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -3.318 -0.865 -3.494 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -4.732 -1.847 -3.168 1.00 0.00 H new ATOM 351 N ILE A 24 -4.975 -1.005 0.460 1.00 0.00 N ATOM 352 CA ILE A 24 -6.024 -1.315 1.421 1.00 0.00 C ATOM 353 C ILE A 24 -6.957 -0.124 1.610 1.00 0.00 C ATOM 354 O ILE A 24 -6.782 0.693 2.516 1.00 0.00 O ATOM 355 CB ILE A 24 -5.407 -1.721 2.758 1.00 0.00 C ATOM 356 CG1 ILE A 24 -4.521 -0.587 3.287 1.00 0.00 C ATOM 357 CG2 ILE A 24 -4.561 -2.984 2.569 1.00 0.00 C ATOM 358 CD1 ILE A 24 -4.921 -0.257 4.726 1.00 0.00 C ATOM 0 H ILE A 24 -4.552 -0.083 0.571 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.610 -2.148 1.033 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.204 -1.919 3.475 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.472 -0.882 3.248 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.627 0.296 2.657 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.121 -3.273 3.523 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -5.192 -3.793 2.200 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.767 -2.786 1.849 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -4.292 0.549 5.103 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -5.965 0.056 4.751 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.792 -1.141 5.351 1.00 0.00 H new ATOM 370 N ARG A 25 -7.948 -0.043 0.740 1.00 0.00 N ATOM 371 CA ARG A 25 -8.925 1.037 0.783 1.00 0.00 C ATOM 372 C ARG A 25 -10.212 0.604 0.083 1.00 0.00 C ATOM 373 O ARG A 25 -10.581 -0.571 0.122 1.00 0.00 O ATOM 374 CB ARG A 25 -8.352 2.277 0.092 1.00 0.00 C ATOM 375 CG ARG A 25 -8.052 1.949 -1.372 1.00 0.00 C ATOM 376 CD ARG A 25 -7.506 3.195 -2.073 1.00 0.00 C ATOM 377 NE ARG A 25 -6.080 3.041 -2.335 1.00 0.00 N ATOM 378 CZ ARG A 25 -5.500 3.654 -3.362 1.00 0.00 C ATOM 379 NH1 ARG A 25 -6.211 4.405 -4.157 1.00 0.00 N ATOM 380 NH2 ARG A 25 -4.221 3.505 -3.575 1.00 0.00 N ATOM 0 H ARG A 25 -8.100 -0.716 -0.011 1.00 0.00 H new ATOM 0 HA ARG A 25 -9.149 1.275 1.823 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -9.062 3.102 0.153 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -7.442 2.601 0.598 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -7.327 1.138 -1.433 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -8.958 1.605 -1.872 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -8.040 3.358 -3.009 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -7.676 4.075 -1.452 1.00 0.00 H new ATOM 0 HE ARG A 25 -5.518 2.453 -1.720 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -7.211 4.521 -3.990 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -5.767 4.876 -4.945 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -3.665 2.918 -2.953 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -3.777 3.976 -4.363 1.00 0.00 H new ATOM 394 N ASP A 26 -10.886 1.550 -0.562 1.00 0.00 N ATOM 395 CA ASP A 26 -12.123 1.241 -1.269 1.00 0.00 C ATOM 396 C ASP A 26 -11.864 1.168 -2.770 1.00 0.00 C ATOM 397 O ASP A 26 -11.514 2.167 -3.396 1.00 0.00 O ATOM 398 CB ASP A 26 -13.174 2.316 -0.982 1.00 0.00 C ATOM 399 CG ASP A 26 -13.370 2.463 0.522 1.00 0.00 C ATOM 400 OD1 ASP A 26 -13.310 1.457 1.210 1.00 0.00 O ATOM 401 OD2 ASP A 26 -13.579 3.581 0.966 1.00 0.00 O ATOM 0 H ASP A 26 -10.600 2.528 -0.610 1.00 0.00 H new ATOM 0 HA ASP A 26 -12.492 0.276 -0.922 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -12.860 3.267 -1.411 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -14.119 2.049 -1.456 1.00 0.00 H new ATOM 406 N ALA A 27 -12.033 -0.020 -3.341 1.00 0.00 N ATOM 407 CA ALA A 27 -11.809 -0.203 -4.770 1.00 0.00 C ATOM 408 C ALA A 27 -12.303 1.012 -5.548 1.00 0.00 C ATOM 409 O ALA A 27 -11.662 1.451 -6.503 1.00 0.00 O ATOM 410 CB ALA A 27 -12.535 -1.455 -5.262 1.00 0.00 C ATOM 0 H ALA A 27 -12.321 -0.862 -2.843 1.00 0.00 H new ATOM 0 HA ALA A 27 -10.738 -0.319 -4.937 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -12.360 -1.581 -6.330 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -12.159 -2.327 -4.728 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -13.605 -1.351 -5.079 1.00 0.00 H new ATOM 416 N ASP A 28 -13.443 1.554 -5.133 1.00 0.00 N ATOM 417 CA ASP A 28 -14.010 2.719 -5.802 1.00 0.00 C ATOM 418 C ASP A 28 -12.914 3.729 -6.128 1.00 0.00 C ATOM 419 O ASP A 28 -12.976 4.424 -7.143 1.00 0.00 O ATOM 420 CB ASP A 28 -15.061 3.375 -4.905 1.00 0.00 C ATOM 421 CG ASP A 28 -16.226 2.417 -4.682 1.00 0.00 C ATOM 422 OD1 ASP A 28 -17.036 2.281 -5.584 1.00 0.00 O ATOM 423 OD2 ASP A 28 -16.289 1.831 -3.613 1.00 0.00 O ATOM 0 H ASP A 28 -13.989 1.209 -4.343 1.00 0.00 H new ATOM 0 HA ASP A 28 -14.479 2.393 -6.730 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -14.616 3.648 -3.948 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -15.419 4.296 -5.364 1.00 0.00 H new ATOM 428 N GLU A 29 -11.909 3.797 -5.263 1.00 0.00 N ATOM 429 CA GLU A 29 -10.795 4.716 -5.463 1.00 0.00 C ATOM 430 C GLU A 29 -9.732 4.068 -6.342 1.00 0.00 C ATOM 431 O GLU A 29 -9.060 4.740 -7.123 1.00 0.00 O ATOM 432 CB GLU A 29 -10.182 5.094 -4.112 1.00 0.00 C ATOM 433 CG GLU A 29 -11.139 6.019 -3.357 1.00 0.00 C ATOM 434 CD GLU A 29 -10.385 7.235 -2.834 1.00 0.00 C ATOM 435 OE1 GLU A 29 -10.310 8.216 -3.555 1.00 0.00 O ATOM 436 OE2 GLU A 29 -9.891 7.168 -1.721 1.00 0.00 O ATOM 0 H GLU A 29 -11.842 3.229 -4.419 1.00 0.00 H new ATOM 0 HA GLU A 29 -11.166 5.615 -5.955 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.988 4.196 -3.525 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.223 5.590 -4.262 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -11.946 6.337 -4.017 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -11.599 5.482 -2.528 1.00 0.00 H new ATOM 443 N TYR A 30 -9.587 2.756 -6.202 1.00 0.00 N ATOM 444 CA TYR A 30 -8.603 2.016 -6.982 1.00 0.00 C ATOM 445 C TYR A 30 -9.056 1.876 -8.434 1.00 0.00 C ATOM 446 O TYR A 30 -8.252 1.999 -9.358 1.00 0.00 O ATOM 447 CB TYR A 30 -8.398 0.630 -6.369 1.00 0.00 C ATOM 448 CG TYR A 30 -6.943 0.244 -6.475 1.00 0.00 C ATOM 449 CD1 TYR A 30 -5.960 1.059 -5.902 1.00 0.00 C ATOM 450 CD2 TYR A 30 -6.577 -0.930 -7.145 1.00 0.00 C ATOM 451 CE1 TYR A 30 -4.610 0.701 -6.000 1.00 0.00 C ATOM 452 CE2 TYR A 30 -5.227 -1.287 -7.242 1.00 0.00 C ATOM 453 CZ TYR A 30 -4.244 -0.472 -6.670 1.00 0.00 C ATOM 454 OH TYR A 30 -2.913 -0.823 -6.767 1.00 0.00 O ATOM 0 H TYR A 30 -10.135 2.185 -5.559 1.00 0.00 H new ATOM 0 HA TYR A 30 -7.662 2.566 -6.966 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -8.709 0.633 -5.324 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -9.018 -0.103 -6.885 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -6.243 1.964 -5.384 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -7.336 -1.559 -7.586 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.851 1.330 -5.559 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -4.944 -2.192 -7.759 1.00 0.00 H new ATOM 0 HH TYR A 30 -2.832 -1.665 -7.262 1.00 0.00 H new ATOM 464 N LEU A 31 -10.345 1.619 -8.629 1.00 0.00 N ATOM 465 CA LEU A 31 -10.888 1.465 -9.973 1.00 0.00 C ATOM 466 C LEU A 31 -10.583 2.700 -10.815 1.00 0.00 C ATOM 467 O LEU A 31 -9.979 2.600 -11.883 1.00 0.00 O ATOM 468 CB LEU A 31 -12.400 1.249 -9.906 1.00 0.00 C ATOM 469 CG LEU A 31 -12.855 0.453 -11.130 1.00 0.00 C ATOM 470 CD1 LEU A 31 -12.809 -1.043 -10.813 1.00 0.00 C ATOM 471 CD2 LEU A 31 -14.286 0.854 -11.494 1.00 0.00 C ATOM 0 H LEU A 31 -11.029 1.514 -7.879 1.00 0.00 H new ATOM 0 HA LEU A 31 -10.421 0.597 -10.437 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -12.662 0.714 -8.993 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -12.914 2.209 -9.871 1.00 0.00 H new ATOM 0 HG LEU A 31 -12.193 0.666 -11.969 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -13.133 -1.610 -11.686 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -11.790 -1.329 -10.553 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -13.471 -1.258 -9.974 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -14.612 0.288 -12.366 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -14.948 0.641 -10.655 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -14.319 1.920 -11.720 1.00 0.00 H new ATOM 483 N ARG A 32 -11.000 3.864 -10.326 1.00 0.00 N ATOM 484 CA ARG A 32 -10.757 5.109 -11.044 1.00 0.00 C ATOM 485 C ARG A 32 -9.292 5.195 -11.455 1.00 0.00 C ATOM 486 O ARG A 32 -8.948 5.828 -12.453 1.00 0.00 O ATOM 487 CB ARG A 32 -11.112 6.303 -10.156 1.00 0.00 C ATOM 488 CG ARG A 32 -10.399 6.170 -8.809 1.00 0.00 C ATOM 489 CD ARG A 32 -10.459 7.507 -8.067 1.00 0.00 C ATOM 490 NE ARG A 32 -11.845 7.918 -7.879 1.00 0.00 N ATOM 491 CZ ARG A 32 -12.146 9.132 -7.431 1.00 0.00 C ATOM 492 NH1 ARG A 32 -11.194 9.976 -7.141 1.00 0.00 N ATOM 493 NH2 ARG A 32 -13.396 9.478 -7.278 1.00 0.00 N ATOM 0 H ARG A 32 -11.503 3.970 -9.445 1.00 0.00 H new ATOM 0 HA ARG A 32 -11.382 5.128 -11.937 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -10.818 7.232 -10.644 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -12.191 6.349 -10.005 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -10.869 5.389 -8.212 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -9.362 5.873 -8.962 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.965 7.417 -7.100 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -9.920 8.268 -8.631 1.00 0.00 H new ATOM 0 HE ARG A 32 -12.596 7.263 -8.095 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -10.218 9.704 -7.258 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -11.426 10.908 -6.797 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -14.139 8.817 -7.502 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -13.629 10.410 -6.934 1.00 0.00 H new ATOM 507 N GLU A 33 -8.436 4.546 -10.674 1.00 0.00 N ATOM 508 CA GLU A 33 -7.006 4.539 -10.951 1.00 0.00 C ATOM 509 C GLU A 33 -6.305 3.514 -10.065 1.00 0.00 C ATOM 510 O GLU A 33 -6.591 3.416 -8.871 1.00 0.00 O ATOM 511 CB GLU A 33 -6.414 5.925 -10.695 1.00 0.00 C ATOM 512 CG GLU A 33 -4.914 5.792 -10.431 1.00 0.00 C ATOM 513 CD GLU A 33 -4.667 5.531 -8.947 1.00 0.00 C ATOM 514 OE1 GLU A 33 -5.064 6.361 -8.146 1.00 0.00 O ATOM 515 OE2 GLU A 33 -4.086 4.505 -8.636 1.00 0.00 O ATOM 0 H GLU A 33 -8.708 4.018 -9.845 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.856 4.272 -11.997 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.588 6.572 -11.555 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -6.905 6.391 -9.841 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.502 4.976 -11.026 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -4.400 6.702 -10.739 1.00 0.00 H new ATOM 522 N HIS A 34 -5.388 2.753 -10.651 1.00 0.00 N ATOM 523 CA HIS A 34 -4.661 1.742 -9.892 1.00 0.00 C ATOM 524 C HIS A 34 -3.267 1.528 -10.474 1.00 0.00 C ATOM 525 O HIS A 34 -2.908 2.122 -11.490 1.00 0.00 O ATOM 526 CB HIS A 34 -5.432 0.421 -9.910 1.00 0.00 C ATOM 527 CG HIS A 34 -5.938 0.157 -11.301 1.00 0.00 C ATOM 528 ND1 HIS A 34 -5.293 -0.708 -12.170 1.00 0.00 N ATOM 529 CD2 HIS A 34 -7.023 0.639 -11.988 1.00 0.00 C ATOM 530 CE1 HIS A 34 -5.989 -0.720 -13.321 1.00 0.00 C ATOM 531 NE2 HIS A 34 -7.054 0.084 -13.264 1.00 0.00 N ATOM 0 H HIS A 34 -5.132 2.815 -11.636 1.00 0.00 H new ATOM 0 HA HIS A 34 -4.561 2.091 -8.864 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -4.786 -0.394 -9.585 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -6.266 0.465 -9.210 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -4.445 -1.239 -11.973 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -7.744 1.342 -11.598 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -5.719 -1.308 -14.186 1.00 0.00 H new ATOM 539 N ILE A 35 -2.487 0.677 -9.816 1.00 0.00 N ATOM 540 CA ILE A 35 -1.134 0.386 -10.266 1.00 0.00 C ATOM 541 C ILE A 35 -0.985 -1.103 -10.583 1.00 0.00 C ATOM 542 O ILE A 35 -0.785 -1.919 -9.683 1.00 0.00 O ATOM 543 CB ILE A 35 -0.137 0.779 -9.175 1.00 0.00 C ATOM 544 CG1 ILE A 35 -0.787 1.803 -8.241 1.00 0.00 C ATOM 545 CG2 ILE A 35 1.108 1.395 -9.817 1.00 0.00 C ATOM 546 CD1 ILE A 35 0.275 2.393 -7.311 1.00 0.00 C ATOM 0 H ILE A 35 -2.769 0.179 -8.972 1.00 0.00 H new ATOM 0 HA ILE A 35 -0.934 0.959 -11.171 1.00 0.00 H new ATOM 0 HB ILE A 35 0.149 -0.106 -8.607 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.256 2.596 -8.824 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.575 1.329 -7.656 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.818 1.675 -9.039 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.570 0.668 -10.485 1.00 0.00 H new ATOM 0 HG23 ILE A 35 0.824 2.281 -10.385 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.188 3.122 -6.646 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.724 1.595 -6.719 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.047 2.882 -7.905 1.00 0.00 H new ATOM 558 N PRO A 36 -1.084 -1.467 -11.837 1.00 0.00 N ATOM 559 CA PRO A 36 -0.963 -2.891 -12.282 1.00 0.00 C ATOM 560 C PRO A 36 0.326 -3.556 -11.809 1.00 0.00 C ATOM 561 O PRO A 36 0.736 -4.589 -12.341 1.00 0.00 O ATOM 562 CB PRO A 36 -0.997 -2.809 -13.808 1.00 0.00 C ATOM 563 CG PRO A 36 -1.639 -1.500 -14.131 1.00 0.00 C ATOM 564 CD PRO A 36 -1.329 -0.562 -12.967 1.00 0.00 C ATOM 0 HA PRO A 36 -1.761 -3.503 -11.861 1.00 0.00 H new ATOM 0 HB2 PRO A 36 0.009 -2.865 -14.225 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -1.564 -3.638 -14.232 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -1.250 -1.098 -15.066 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -2.715 -1.617 -14.258 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -0.459 0.060 -13.176 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -2.161 0.112 -12.765 1.00 0.00 H new ATOM 572 N GLU A 37 0.949 -2.963 -10.809 1.00 0.00 N ATOM 573 CA GLU A 37 2.187 -3.502 -10.256 1.00 0.00 C ATOM 574 C GLU A 37 2.056 -3.669 -8.749 1.00 0.00 C ATOM 575 O GLU A 37 3.033 -3.942 -8.050 1.00 0.00 O ATOM 576 CB GLU A 37 3.355 -2.569 -10.573 1.00 0.00 C ATOM 577 CG GLU A 37 2.855 -1.125 -10.644 1.00 0.00 C ATOM 578 CD GLU A 37 2.457 -0.783 -12.076 1.00 0.00 C ATOM 579 OE1 GLU A 37 1.636 -1.497 -12.626 1.00 0.00 O ATOM 580 OE2 GLU A 37 2.980 0.186 -12.599 1.00 0.00 O ATOM 0 H GLU A 37 0.622 -2.108 -10.360 1.00 0.00 H new ATOM 0 HA GLU A 37 2.377 -4.476 -10.708 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.125 -2.660 -9.807 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.813 -2.853 -11.520 1.00 0.00 H new ATOM 0 HG2 GLU A 37 2.002 -0.993 -9.979 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.634 -0.444 -10.301 1.00 0.00 H new ATOM 587 N ALA A 38 0.834 -3.503 -8.259 1.00 0.00 N ATOM 588 CA ALA A 38 0.559 -3.634 -6.832 1.00 0.00 C ATOM 589 C ALA A 38 -0.634 -4.556 -6.602 1.00 0.00 C ATOM 590 O ALA A 38 -1.540 -4.631 -7.433 1.00 0.00 O ATOM 591 CB ALA A 38 0.266 -2.259 -6.230 1.00 0.00 C ATOM 0 H ALA A 38 0.018 -3.278 -8.827 1.00 0.00 H new ATOM 0 HA ALA A 38 1.436 -4.063 -6.348 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.062 -2.364 -5.165 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.129 -1.609 -6.371 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -0.602 -1.823 -6.725 1.00 0.00 H new ATOM 597 N ASP A 39 -0.629 -5.257 -5.474 1.00 0.00 N ATOM 598 CA ASP A 39 -1.719 -6.172 -5.152 1.00 0.00 C ATOM 599 C ASP A 39 -2.868 -5.420 -4.487 1.00 0.00 C ATOM 600 O ASP A 39 -2.679 -4.745 -3.475 1.00 0.00 O ATOM 601 CB ASP A 39 -1.218 -7.275 -4.217 1.00 0.00 C ATOM 602 CG ASP A 39 0.163 -7.746 -4.659 1.00 0.00 C ATOM 603 OD1 ASP A 39 0.802 -7.023 -5.406 1.00 0.00 O ATOM 604 OD2 ASP A 39 0.561 -8.822 -4.246 1.00 0.00 O ATOM 0 H ASP A 39 0.110 -5.211 -4.773 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.079 -6.620 -6.078 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.174 -6.903 -3.193 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.916 -8.112 -4.222 1.00 0.00 H new ATOM 609 N LEU A 40 -4.060 -5.541 -5.066 1.00 0.00 N ATOM 610 CA LEU A 40 -5.235 -4.868 -4.523 1.00 0.00 C ATOM 611 C LEU A 40 -5.867 -5.703 -3.415 1.00 0.00 C ATOM 612 O LEU A 40 -6.284 -6.839 -3.642 1.00 0.00 O ATOM 613 CB LEU A 40 -6.262 -4.632 -5.633 1.00 0.00 C ATOM 614 CG LEU A 40 -7.570 -4.124 -5.022 1.00 0.00 C ATOM 615 CD1 LEU A 40 -7.293 -2.867 -4.192 1.00 0.00 C ATOM 616 CD2 LEU A 40 -8.561 -3.787 -6.141 1.00 0.00 C ATOM 0 H LEU A 40 -4.236 -6.094 -5.904 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.921 -3.910 -4.108 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.878 -3.906 -6.350 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.440 -5.557 -6.181 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.994 -4.897 -4.381 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.225 -2.506 -3.757 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.589 -3.105 -3.395 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.868 -2.094 -4.833 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.492 -3.425 -5.705 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.137 -3.015 -6.783 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.760 -4.681 -6.732 1.00 0.00 H new ATOM 628 N ALA A 41 -5.935 -5.133 -2.216 1.00 0.00 N ATOM 629 CA ALA A 41 -6.520 -5.835 -1.084 1.00 0.00 C ATOM 630 C ALA A 41 -7.174 -4.847 -0.124 1.00 0.00 C ATOM 631 O ALA A 41 -6.531 -4.351 0.801 1.00 0.00 O ATOM 632 CB ALA A 41 -5.440 -6.629 -0.347 1.00 0.00 C ATOM 0 H ALA A 41 -5.595 -4.195 -2.006 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.281 -6.520 -1.457 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.886 -7.152 0.499 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.994 -7.354 -1.027 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.669 -5.947 0.013 1.00 0.00 H new ATOM 638 N PRO A 42 -8.430 -4.553 -0.330 1.00 0.00 N ATOM 639 CA PRO A 42 -9.183 -3.599 0.532 1.00 0.00 C ATOM 640 C PRO A 42 -8.848 -3.767 2.013 1.00 0.00 C ATOM 641 O PRO A 42 -8.561 -4.868 2.477 1.00 0.00 O ATOM 642 CB PRO A 42 -10.640 -3.952 0.244 1.00 0.00 C ATOM 643 CG PRO A 42 -10.644 -4.450 -1.164 1.00 0.00 C ATOM 644 CD PRO A 42 -9.279 -5.096 -1.407 1.00 0.00 C ATOM 0 HA PRO A 42 -8.939 -2.558 0.318 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -11.006 -4.713 0.933 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -11.287 -3.082 0.357 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -11.446 -5.172 -1.317 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -10.815 -3.631 -1.863 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -9.338 -6.183 -1.359 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -8.886 -4.841 -2.391 1.00 0.00 H new ATOM 652 N LEU A 43 -8.872 -2.660 2.744 1.00 0.00 N ATOM 653 CA LEU A 43 -8.561 -2.686 4.167 1.00 0.00 C ATOM 654 C LEU A 43 -9.692 -3.332 4.969 1.00 0.00 C ATOM 655 O LEU A 43 -9.471 -3.854 6.061 1.00 0.00 O ATOM 656 CB LEU A 43 -8.294 -1.250 4.657 1.00 0.00 C ATOM 657 CG LEU A 43 -9.401 -0.786 5.609 1.00 0.00 C ATOM 658 CD1 LEU A 43 -9.232 -1.490 6.956 1.00 0.00 C ATOM 659 CD2 LEU A 43 -9.300 0.728 5.812 1.00 0.00 C ATOM 0 H LEU A 43 -9.103 -1.737 2.377 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.667 -3.291 4.321 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -7.330 -1.207 5.164 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -8.235 -0.575 3.803 1.00 0.00 H new ATOM 0 HG LEU A 43 -10.375 -1.030 5.184 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -10.017 -1.164 7.638 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -9.300 -2.569 6.814 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.258 -1.240 7.378 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -10.088 1.058 6.489 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -8.328 0.974 6.239 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -9.412 1.232 4.852 1.00 0.00 H new ATOM 671 N SER A 44 -10.904 -3.280 4.428 1.00 0.00 N ATOM 672 CA SER A 44 -12.059 -3.845 5.116 1.00 0.00 C ATOM 673 C SER A 44 -12.145 -5.353 4.912 1.00 0.00 C ATOM 674 O SER A 44 -12.637 -6.074 5.780 1.00 0.00 O ATOM 675 CB SER A 44 -13.339 -3.187 4.602 1.00 0.00 C ATOM 676 OG SER A 44 -14.134 -4.162 3.938 1.00 0.00 O ATOM 0 H SER A 44 -11.112 -2.857 3.524 1.00 0.00 H new ATOM 0 HA SER A 44 -11.944 -3.651 6.182 1.00 0.00 H new ATOM 0 HB2 SER A 44 -13.896 -2.750 5.431 1.00 0.00 H new ATOM 0 HB3 SER A 44 -13.095 -2.374 3.919 1.00 0.00 H new ATOM 0 HG SER A 44 -14.957 -3.744 3.608 1.00 0.00 H new ATOM 682 N VAL A 45 -11.674 -5.828 3.767 1.00 0.00 N ATOM 683 CA VAL A 45 -11.723 -7.258 3.482 1.00 0.00 C ATOM 684 C VAL A 45 -10.506 -7.964 4.071 1.00 0.00 C ATOM 685 O VAL A 45 -10.575 -9.136 4.440 1.00 0.00 O ATOM 686 CB VAL A 45 -11.782 -7.504 1.973 1.00 0.00 C ATOM 687 CG1 VAL A 45 -12.812 -6.570 1.330 1.00 0.00 C ATOM 688 CG2 VAL A 45 -10.408 -7.247 1.360 1.00 0.00 C ATOM 0 H VAL A 45 -11.260 -5.256 3.031 1.00 0.00 H new ATOM 0 HA VAL A 45 -12.624 -7.663 3.942 1.00 0.00 H new ATOM 0 HB VAL A 45 -12.075 -8.538 1.791 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -12.847 -6.752 0.256 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -13.794 -6.759 1.763 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -12.528 -5.534 1.513 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -10.451 -7.422 0.285 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -10.113 -6.215 1.548 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -9.678 -7.920 1.809 1.00 0.00 H new ATOM 698 N LEU A 46 -9.394 -7.243 4.152 1.00 0.00 N ATOM 699 CA LEU A 46 -8.166 -7.811 4.696 1.00 0.00 C ATOM 700 C LEU A 46 -8.371 -8.253 6.142 1.00 0.00 C ATOM 701 O LEU A 46 -8.048 -9.383 6.507 1.00 0.00 O ATOM 702 CB LEU A 46 -7.041 -6.776 4.627 1.00 0.00 C ATOM 703 CG LEU A 46 -5.743 -7.385 5.164 1.00 0.00 C ATOM 704 CD1 LEU A 46 -4.564 -6.482 4.796 1.00 0.00 C ATOM 705 CD2 LEU A 46 -5.824 -7.512 6.688 1.00 0.00 C ATOM 0 H LEU A 46 -9.317 -6.272 3.851 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.895 -8.683 4.101 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.900 -6.446 3.598 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.309 -5.895 5.210 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.601 -8.372 4.724 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.640 -6.916 5.178 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.500 -6.391 3.712 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.710 -5.495 5.235 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.899 -7.946 7.067 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.969 -6.525 7.128 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.662 -8.155 6.955 1.00 0.00 H new ATOM 717 N GLU A 47 -8.907 -7.353 6.961 1.00 0.00 N ATOM 718 CA GLU A 47 -9.145 -7.660 8.368 1.00 0.00 C ATOM 719 C GLU A 47 -10.004 -8.912 8.515 1.00 0.00 C ATOM 720 O GLU A 47 -9.639 -9.846 9.230 1.00 0.00 O ATOM 721 CB GLU A 47 -9.844 -6.482 9.050 1.00 0.00 C ATOM 722 CG GLU A 47 -9.877 -6.716 10.561 1.00 0.00 C ATOM 723 CD GLU A 47 -10.598 -5.563 11.253 1.00 0.00 C ATOM 724 OE1 GLU A 47 -11.799 -5.450 11.076 1.00 0.00 O ATOM 725 OE2 GLU A 47 -9.936 -4.811 11.949 1.00 0.00 O ATOM 0 H GLU A 47 -9.183 -6.413 6.678 1.00 0.00 H new ATOM 0 HA GLU A 47 -8.180 -7.839 8.843 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.318 -5.554 8.826 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.858 -6.375 8.665 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.383 -7.656 10.781 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.861 -6.804 10.946 1.00 0.00 H new ATOM 732 N GLN A 48 -11.149 -8.922 7.840 1.00 0.00 N ATOM 733 CA GLN A 48 -12.054 -10.063 7.908 1.00 0.00 C ATOM 734 C GLN A 48 -11.471 -11.263 7.168 1.00 0.00 C ATOM 735 O GLN A 48 -11.506 -12.388 7.666 1.00 0.00 O ATOM 736 CB GLN A 48 -13.406 -9.695 7.296 1.00 0.00 C ATOM 737 CG GLN A 48 -14.128 -8.704 8.210 1.00 0.00 C ATOM 738 CD GLN A 48 -15.636 -8.816 8.012 1.00 0.00 C ATOM 739 OE1 GLN A 48 -16.177 -9.992 7.848 1.00 0.00 O flip ATOM 740 NE2 GLN A 48 -16.338 -7.805 8.007 1.00 0.00 N flip ATOM 0 H GLN A 48 -11.470 -8.159 7.244 1.00 0.00 H new ATOM 0 HA GLN A 48 -12.187 -10.329 8.956 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -13.263 -9.257 6.308 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -14.012 -10.591 7.162 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -13.874 -8.905 9.251 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -13.799 -7.688 7.991 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -15.912 -6.887 8.136 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -17.346 -7.885 7.874 1.00 0.00 H new ATOM 749 N SER A 49 -10.940 -11.015 5.977 1.00 0.00 N ATOM 750 CA SER A 49 -10.356 -12.084 5.175 1.00 0.00 C ATOM 751 C SER A 49 -9.178 -12.722 5.902 1.00 0.00 C ATOM 752 O SER A 49 -9.255 -13.867 6.348 1.00 0.00 O ATOM 753 CB SER A 49 -9.885 -11.532 3.830 1.00 0.00 C ATOM 754 OG SER A 49 -9.345 -12.591 3.051 1.00 0.00 O ATOM 0 H SER A 49 -10.901 -10.091 5.547 1.00 0.00 H new ATOM 0 HA SER A 49 -11.121 -12.843 5.010 1.00 0.00 H new ATOM 0 HB2 SER A 49 -10.718 -11.066 3.303 1.00 0.00 H new ATOM 0 HB3 SER A 49 -9.133 -10.759 3.985 1.00 0.00 H new ATOM 0 HG SER A 49 -9.043 -12.241 2.187 1.00 0.00 H new ATOM 760 N GLY A 50 -8.091 -11.972 6.010 1.00 0.00 N ATOM 761 CA GLY A 50 -6.894 -12.467 6.678 1.00 0.00 C ATOM 762 C GLY A 50 -5.961 -13.142 5.681 1.00 0.00 C ATOM 763 O GLY A 50 -5.772 -14.358 5.715 1.00 0.00 O ATOM 0 H GLY A 50 -8.012 -11.023 5.646 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.376 -11.641 7.166 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.173 -13.175 7.459 1.00 0.00 H new ATOM 767 N LEU A 51 -5.384 -12.343 4.794 1.00 0.00 N ATOM 768 CA LEU A 51 -4.473 -12.865 3.784 1.00 0.00 C ATOM 769 C LEU A 51 -3.082 -12.262 3.953 1.00 0.00 C ATOM 770 O LEU A 51 -2.748 -11.256 3.326 1.00 0.00 O ATOM 771 CB LEU A 51 -5.004 -12.541 2.387 1.00 0.00 C ATOM 772 CG LEU A 51 -4.228 -13.346 1.343 1.00 0.00 C ATOM 773 CD1 LEU A 51 -4.667 -14.810 1.394 1.00 0.00 C ATOM 774 CD2 LEU A 51 -4.511 -12.777 -0.050 1.00 0.00 C ATOM 0 H LEU A 51 -5.530 -11.334 4.753 1.00 0.00 H new ATOM 0 HA LEU A 51 -4.405 -13.946 3.907 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.066 -12.777 2.327 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.903 -11.474 2.187 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.161 -13.281 1.554 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.113 -15.382 0.650 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.467 -15.216 2.386 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.734 -14.877 1.183 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.959 -13.349 -0.796 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.579 -12.842 -0.260 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.197 -11.734 -0.088 1.00 0.00 H new ATOM 786 N PRO A 52 -2.277 -12.856 4.790 1.00 0.00 N ATOM 787 CA PRO A 52 -0.890 -12.377 5.059 1.00 0.00 C ATOM 788 C PRO A 52 0.007 -12.482 3.832 1.00 0.00 C ATOM 789 O PRO A 52 0.810 -13.407 3.719 1.00 0.00 O ATOM 790 CB PRO A 52 -0.383 -13.292 6.184 1.00 0.00 C ATOM 791 CG PRO A 52 -1.580 -14.020 6.704 1.00 0.00 C ATOM 792 CD PRO A 52 -2.600 -14.052 5.572 1.00 0.00 C ATOM 0 HA PRO A 52 -0.878 -11.321 5.330 1.00 0.00 H new ATOM 0 HB2 PRO A 52 0.365 -13.991 5.809 1.00 0.00 H new ATOM 0 HB3 PRO A 52 0.092 -12.710 6.974 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -1.314 -15.031 7.014 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -1.989 -13.516 7.579 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -2.509 -14.959 4.975 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -3.622 -14.021 5.951 1.00 0.00 H new ATOM 800 N ALA A 53 -0.125 -11.526 2.918 1.00 0.00 N ATOM 801 CA ALA A 53 0.696 -11.530 1.715 1.00 0.00 C ATOM 802 C ALA A 53 2.133 -11.883 2.076 1.00 0.00 C ATOM 803 O ALA A 53 2.909 -12.333 1.233 1.00 0.00 O ATOM 804 CB ALA A 53 0.655 -10.155 1.045 1.00 0.00 C ATOM 0 H ALA A 53 -0.783 -10.750 2.986 1.00 0.00 H new ATOM 0 HA ALA A 53 0.304 -12.273 1.021 1.00 0.00 H new ATOM 0 HB1 ALA A 53 1.272 -10.169 0.147 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -0.373 -9.912 0.775 1.00 0.00 H new ATOM 0 HB3 ALA A 53 1.036 -9.402 1.735 1.00 0.00 H new ATOM 810 N LYS A 54 2.472 -11.681 3.346 1.00 0.00 N ATOM 811 CA LYS A 54 3.811 -11.985 3.835 1.00 0.00 C ATOM 812 C LYS A 54 4.149 -13.445 3.563 1.00 0.00 C ATOM 813 O LYS A 54 5.309 -13.852 3.636 1.00 0.00 O ATOM 814 CB LYS A 54 3.884 -11.716 5.340 1.00 0.00 C ATOM 815 CG LYS A 54 5.343 -11.722 5.796 1.00 0.00 C ATOM 816 CD LYS A 54 5.411 -11.394 7.289 1.00 0.00 C ATOM 817 CE LYS A 54 6.501 -12.241 7.949 1.00 0.00 C ATOM 818 NZ LYS A 54 7.766 -12.115 7.171 1.00 0.00 N ATOM 0 H LYS A 54 1.838 -11.309 4.053 1.00 0.00 H new ATOM 0 HA LYS A 54 4.529 -11.350 3.316 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.425 -10.754 5.570 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.321 -12.475 5.882 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.791 -12.698 5.606 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.917 -10.992 5.226 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.624 -10.334 7.430 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.448 -11.591 7.760 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.659 -11.913 8.977 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.190 -13.285 7.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 8.578 -12.158 7.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.830 -12.893 6.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.774 -11.206 6.666 1.00 0.00 H new ATOM 832 N LEU A 55 3.121 -14.226 3.254 1.00 0.00 N ATOM 833 CA LEU A 55 3.306 -15.646 2.976 1.00 0.00 C ATOM 834 C LEU A 55 3.864 -15.858 1.574 1.00 0.00 C ATOM 835 O LEU A 55 4.253 -16.970 1.214 1.00 0.00 O ATOM 836 CB LEU A 55 1.967 -16.374 3.102 1.00 0.00 C ATOM 837 CG LEU A 55 1.603 -16.525 4.579 1.00 0.00 C ATOM 838 CD1 LEU A 55 0.081 -16.536 4.732 1.00 0.00 C ATOM 839 CD2 LEU A 55 2.177 -17.840 5.110 1.00 0.00 C ATOM 0 H LEU A 55 2.156 -13.903 3.190 1.00 0.00 H new ATOM 0 HA LEU A 55 4.017 -16.046 3.699 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.188 -15.818 2.580 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.029 -17.355 2.630 1.00 0.00 H new ATOM 0 HG LEU A 55 2.018 -15.690 5.143 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.178 -16.644 5.785 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.330 -15.601 4.351 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.335 -17.371 4.169 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.919 -17.951 6.163 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.760 -18.674 4.545 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.261 -17.834 5.001 1.00 0.00 H new ATOM 851 N ARG A 56 3.894 -14.794 0.781 1.00 0.00 N ATOM 852 CA ARG A 56 4.400 -14.891 -0.582 1.00 0.00 C ATOM 853 C ARG A 56 5.621 -14.000 -0.783 1.00 0.00 C ATOM 854 O ARG A 56 6.001 -13.699 -1.914 1.00 0.00 O ATOM 855 CB ARG A 56 3.306 -14.495 -1.574 1.00 0.00 C ATOM 856 CG ARG A 56 2.033 -15.287 -1.272 1.00 0.00 C ATOM 857 CD ARG A 56 0.819 -14.527 -1.806 1.00 0.00 C ATOM 858 NE ARG A 56 1.152 -13.860 -3.059 1.00 0.00 N ATOM 859 CZ ARG A 56 1.224 -14.539 -4.199 1.00 0.00 C ATOM 860 NH1 ARG A 56 1.003 -15.824 -4.209 1.00 0.00 N ATOM 861 NH2 ARG A 56 1.517 -13.919 -5.310 1.00 0.00 N ATOM 0 H ARG A 56 3.578 -13.864 1.054 1.00 0.00 H new ATOM 0 HA ARG A 56 4.698 -15.925 -0.758 1.00 0.00 H new ATOM 0 HB2 ARG A 56 3.107 -13.426 -1.504 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.636 -14.692 -2.594 1.00 0.00 H new ATOM 0 HG2 ARG A 56 2.088 -16.274 -1.732 1.00 0.00 H new ATOM 0 HG3 ARG A 56 1.935 -15.441 -0.197 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -0.011 -15.217 -1.962 1.00 0.00 H new ATOM 0 HD3 ARG A 56 0.489 -13.792 -1.071 1.00 0.00 H new ATOM 0 HE ARG A 56 1.333 -12.856 -3.061 1.00 0.00 H new ATOM 0 HH11 ARG A 56 0.775 -16.309 -3.341 1.00 0.00 H new ATOM 0 HH12 ARG A 56 1.059 -16.344 -5.085 1.00 0.00 H new ATOM 0 HH21 ARG A 56 1.691 -12.914 -5.303 1.00 0.00 H new ATOM 0 HH22 ARG A 56 1.572 -14.440 -6.185 1.00 0.00 H new ATOM 875 N HIS A 57 6.236 -13.588 0.317 1.00 0.00 N ATOM 876 CA HIS A 57 7.420 -12.738 0.239 1.00 0.00 C ATOM 877 C HIS A 57 7.981 -12.452 1.625 1.00 0.00 C ATOM 878 O HIS A 57 7.619 -13.104 2.605 1.00 0.00 O ATOM 879 CB HIS A 57 7.073 -11.417 -0.450 1.00 0.00 C ATOM 880 CG HIS A 57 8.119 -11.097 -1.484 1.00 0.00 C ATOM 881 ND1 HIS A 57 8.738 -12.082 -2.238 1.00 0.00 N ATOM 882 CD2 HIS A 57 8.667 -9.908 -1.896 1.00 0.00 C ATOM 883 CE1 HIS A 57 9.616 -11.473 -3.057 1.00 0.00 C ATOM 884 NE2 HIS A 57 9.613 -10.148 -2.890 1.00 0.00 N ATOM 0 H HIS A 57 5.941 -13.824 1.264 1.00 0.00 H new ATOM 0 HA HIS A 57 8.176 -13.268 -0.341 1.00 0.00 H new ATOM 0 HB2 HIS A 57 6.092 -11.487 -0.920 1.00 0.00 H new ATOM 0 HB3 HIS A 57 7.017 -10.615 0.286 1.00 0.00 H new ATOM 0 HD2 HIS A 57 8.405 -8.935 -1.509 1.00 0.00 H new ATOM 0 HE1 HIS A 57 10.246 -11.993 -3.763 1.00 0.00 H new ATOM 0 HE2 HIS A 57 10.181 -9.460 -3.384 1.00 0.00 H new ATOM 892 N GLU A 58 8.871 -11.469 1.694 1.00 0.00 N ATOM 893 CA GLU A 58 9.490 -11.088 2.956 1.00 0.00 C ATOM 894 C GLU A 58 9.312 -9.594 3.199 1.00 0.00 C ATOM 895 O GLU A 58 9.198 -9.147 4.341 1.00 0.00 O ATOM 896 CB GLU A 58 10.980 -11.429 2.930 1.00 0.00 C ATOM 897 CG GLU A 58 11.584 -11.174 4.309 1.00 0.00 C ATOM 898 CD GLU A 58 13.008 -11.717 4.364 1.00 0.00 C ATOM 899 OE1 GLU A 58 13.409 -12.368 3.413 1.00 0.00 O ATOM 900 OE2 GLU A 58 13.676 -11.476 5.356 1.00 0.00 O ATOM 0 H GLU A 58 9.180 -10.922 0.890 1.00 0.00 H new ATOM 0 HA GLU A 58 9.008 -11.640 3.763 1.00 0.00 H new ATOM 0 HB2 GLU A 58 11.120 -12.472 2.647 1.00 0.00 H new ATOM 0 HB3 GLU A 58 11.490 -10.824 2.180 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.585 -10.105 4.522 1.00 0.00 H new ATOM 0 HG3 GLU A 58 10.974 -11.651 5.076 1.00 0.00 H new ATOM 907 N GLN A 59 9.277 -8.828 2.114 1.00 0.00 N ATOM 908 CA GLN A 59 9.100 -7.386 2.212 1.00 0.00 C ATOM 909 C GLN A 59 7.743 -6.995 1.640 1.00 0.00 C ATOM 910 O GLN A 59 7.360 -7.451 0.562 1.00 0.00 O ATOM 911 CB GLN A 59 10.213 -6.669 1.445 1.00 0.00 C ATOM 912 CG GLN A 59 11.222 -6.085 2.436 1.00 0.00 C ATOM 913 CD GLN A 59 12.250 -5.236 1.696 1.00 0.00 C ATOM 914 OE1 GLN A 59 12.521 -4.102 2.092 1.00 0.00 O ATOM 915 NE2 GLN A 59 12.843 -5.720 0.639 1.00 0.00 N ATOM 0 H GLN A 59 9.368 -9.181 1.161 1.00 0.00 H new ATOM 0 HA GLN A 59 9.146 -7.092 3.260 1.00 0.00 H new ATOM 0 HB2 GLN A 59 10.711 -7.365 0.771 1.00 0.00 H new ATOM 0 HB3 GLN A 59 9.791 -5.875 0.829 1.00 0.00 H new ATOM 0 HG2 GLN A 59 10.705 -5.478 3.179 1.00 0.00 H new ATOM 0 HG3 GLN A 59 11.723 -6.890 2.974 1.00 0.00 H new ATOM 0 HE21 GLN A 59 12.617 -6.660 0.313 1.00 0.00 H new ATOM 0 HE22 GLN A 59 13.533 -5.159 0.139 1.00 0.00 H new ATOM 924 N ILE A 60 7.011 -6.162 2.370 1.00 0.00 N ATOM 925 CA ILE A 60 5.693 -5.741 1.926 1.00 0.00 C ATOM 926 C ILE A 60 5.511 -4.235 2.098 1.00 0.00 C ATOM 927 O ILE A 60 5.919 -3.661 3.108 1.00 0.00 O ATOM 928 CB ILE A 60 4.630 -6.484 2.736 1.00 0.00 C ATOM 929 CG1 ILE A 60 5.230 -7.779 3.291 1.00 0.00 C ATOM 930 CG2 ILE A 60 3.440 -6.821 1.837 1.00 0.00 C ATOM 931 CD1 ILE A 60 4.189 -8.499 4.149 1.00 0.00 C ATOM 0 H ILE A 60 7.306 -5.769 3.264 1.00 0.00 H new ATOM 0 HA ILE A 60 5.590 -5.977 0.867 1.00 0.00 H new ATOM 0 HB ILE A 60 4.294 -5.852 3.558 1.00 0.00 H new ATOM 0 HG12 ILE A 60 5.550 -8.424 2.472 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.115 -7.556 3.886 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.684 -7.350 2.417 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.013 -5.901 1.439 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.773 -7.452 1.013 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.617 -9.421 4.543 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.890 -7.855 4.976 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.316 -8.736 3.540 1.00 0.00 H new ATOM 943 N ILE A 61 4.890 -3.606 1.105 1.00 0.00 N ATOM 944 CA ILE A 61 4.649 -2.168 1.151 1.00 0.00 C ATOM 945 C ILE A 61 3.149 -1.884 1.160 1.00 0.00 C ATOM 946 O ILE A 61 2.397 -2.457 0.371 1.00 0.00 O ATOM 947 CB ILE A 61 5.291 -1.489 -0.061 1.00 0.00 C ATOM 948 CG1 ILE A 61 6.642 -2.144 -0.357 1.00 0.00 C ATOM 949 CG2 ILE A 61 5.501 -0.003 0.234 1.00 0.00 C ATOM 950 CD1 ILE A 61 7.493 -1.196 -1.206 1.00 0.00 C ATOM 0 H ILE A 61 4.546 -4.067 0.263 1.00 0.00 H new ATOM 0 HA ILE A 61 5.093 -1.771 2.064 1.00 0.00 H new ATOM 0 HB ILE A 61 4.635 -1.598 -0.925 1.00 0.00 H new ATOM 0 HG12 ILE A 61 7.157 -2.377 0.575 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.494 -3.087 -0.883 1.00 0.00 H new ATOM 0 HG21 ILE A 61 5.958 0.478 -0.630 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.540 0.466 0.444 1.00 0.00 H new ATOM 0 HG23 ILE A 61 6.155 0.107 1.099 1.00 0.00 H new ATOM 0 HD11 ILE A 61 8.456 -1.662 -1.417 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.978 -0.986 -2.143 1.00 0.00 H new ATOM 0 HD13 ILE A 61 7.652 -0.265 -0.663 1.00 0.00 H new ATOM 962 N PHE A 62 2.718 -1.004 2.057 1.00 0.00 N ATOM 963 CA PHE A 62 1.304 -0.661 2.155 1.00 0.00 C ATOM 964 C PHE A 62 1.086 0.813 1.833 1.00 0.00 C ATOM 965 O PHE A 62 1.855 1.671 2.265 1.00 0.00 O ATOM 966 CB PHE A 62 0.795 -0.958 3.567 1.00 0.00 C ATOM 967 CG PHE A 62 0.794 -2.450 3.800 1.00 0.00 C ATOM 968 CD1 PHE A 62 -0.290 -3.225 3.373 1.00 0.00 C ATOM 969 CD2 PHE A 62 1.880 -3.059 4.443 1.00 0.00 C ATOM 970 CE1 PHE A 62 -0.290 -4.608 3.588 1.00 0.00 C ATOM 971 CE2 PHE A 62 1.880 -4.442 4.658 1.00 0.00 C ATOM 972 CZ PHE A 62 0.795 -5.216 4.230 1.00 0.00 C ATOM 0 H PHE A 62 3.321 -0.519 2.721 1.00 0.00 H new ATOM 0 HA PHE A 62 0.751 -1.263 1.434 1.00 0.00 H new ATOM 0 HB2 PHE A 62 1.428 -0.465 4.304 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -0.211 -0.559 3.693 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -1.127 -2.756 2.877 1.00 0.00 H new ATOM 0 HD2 PHE A 62 2.717 -2.461 4.773 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -1.127 -5.206 3.259 1.00 0.00 H new ATOM 0 HE2 PHE A 62 2.717 -4.912 5.154 1.00 0.00 H new ATOM 0 HZ PHE A 62 0.795 -6.283 4.395 1.00 0.00 H new ATOM 982 N HIS A 63 0.034 1.104 1.072 1.00 0.00 N ATOM 983 CA HIS A 63 -0.264 2.486 0.704 1.00 0.00 C ATOM 984 C HIS A 63 -1.713 2.640 0.259 1.00 0.00 C ATOM 985 O HIS A 63 -2.239 1.816 -0.488 1.00 0.00 O ATOM 986 CB HIS A 63 0.663 2.937 -0.424 1.00 0.00 C ATOM 987 CG HIS A 63 0.564 1.970 -1.572 1.00 0.00 C ATOM 988 ND1 HIS A 63 -0.591 1.835 -2.326 1.00 0.00 N ATOM 989 CD2 HIS A 63 1.467 1.084 -2.106 1.00 0.00 C ATOM 990 CE1 HIS A 63 -0.355 0.901 -3.265 1.00 0.00 C ATOM 991 NE2 HIS A 63 0.884 0.411 -3.175 1.00 0.00 N ATOM 0 H HIS A 63 -0.618 0.413 0.702 1.00 0.00 H new ATOM 0 HA HIS A 63 -0.105 3.108 1.585 1.00 0.00 H new ATOM 0 HB2 HIS A 63 0.390 3.939 -0.754 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.691 2.988 -0.066 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -1.461 2.350 -2.193 1.00 0.00 H new ATOM 0 HD2 HIS A 63 2.476 0.933 -1.751 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -1.079 0.586 -4.002 1.00 0.00 H new ATOM 999 N CYS A 64 -2.345 3.714 0.719 1.00 0.00 N ATOM 1000 CA CYS A 64 -3.732 3.990 0.363 1.00 0.00 C ATOM 1001 C CYS A 64 -3.827 5.287 -0.436 1.00 0.00 C ATOM 1002 O CYS A 64 -2.977 6.167 -0.309 1.00 0.00 O ATOM 1003 CB CYS A 64 -4.588 4.105 1.624 1.00 0.00 C ATOM 1004 SG CYS A 64 -6.052 5.107 1.268 1.00 0.00 S ATOM 0 H CYS A 64 -1.921 4.406 1.337 1.00 0.00 H new ATOM 0 HA CYS A 64 -4.100 3.166 -0.248 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -4.887 3.114 1.966 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -4.010 4.559 2.429 1.00 0.00 H new ATOM 0 HG CYS A 64 -7.101 4.543 1.788 1.00 0.00 H new ATOM 1010 N GLN A 65 -4.865 5.396 -1.256 1.00 0.00 N ATOM 1011 CA GLN A 65 -5.062 6.589 -2.073 1.00 0.00 C ATOM 1012 C GLN A 65 -4.433 7.810 -1.409 1.00 0.00 C ATOM 1013 O GLN A 65 -3.618 8.506 -2.015 1.00 0.00 O ATOM 1014 CB GLN A 65 -6.557 6.837 -2.282 1.00 0.00 C ATOM 1015 CG GLN A 65 -6.751 7.952 -3.313 1.00 0.00 C ATOM 1016 CD GLN A 65 -6.925 7.352 -4.703 1.00 0.00 C ATOM 1017 OE1 GLN A 65 -5.966 6.843 -5.286 1.00 0.00 O ATOM 1018 NE2 GLN A 65 -8.097 7.381 -5.274 1.00 0.00 N ATOM 0 H GLN A 65 -5.580 4.678 -1.373 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.579 6.426 -3.037 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -7.044 5.923 -2.623 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -7.026 7.115 -1.338 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -7.625 8.550 -3.054 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.891 8.622 -3.302 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -8.890 7.803 -4.790 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -8.221 6.982 -6.204 1.00 0.00 H new ATOM 1027 N ALA A 66 -4.817 8.067 -0.163 1.00 0.00 N ATOM 1028 CA ALA A 66 -4.284 9.210 0.570 1.00 0.00 C ATOM 1029 C ALA A 66 -3.322 8.752 1.662 1.00 0.00 C ATOM 1030 O ALA A 66 -2.717 9.572 2.352 1.00 0.00 O ATOM 1031 CB ALA A 66 -5.431 10.005 1.200 1.00 0.00 C ATOM 0 H ALA A 66 -5.490 7.504 0.357 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.741 9.844 -0.131 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -5.026 10.857 1.746 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -6.100 10.361 0.417 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -5.984 9.364 1.886 1.00 0.00 H new ATOM 1037 N GLY A 67 -3.185 7.439 1.814 1.00 0.00 N ATOM 1038 CA GLY A 67 -2.292 6.886 2.826 1.00 0.00 C ATOM 1039 C GLY A 67 -2.942 6.917 4.205 1.00 0.00 C ATOM 1040 O GLY A 67 -2.851 5.954 4.965 1.00 0.00 O ATOM 0 H GLY A 67 -3.677 6.742 1.254 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.033 5.860 2.565 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.362 7.455 2.845 1.00 0.00 H new ATOM 1044 N LYS A 68 -3.596 8.030 4.523 1.00 0.00 N ATOM 1045 CA LYS A 68 -4.256 8.171 5.816 1.00 0.00 C ATOM 1046 C LYS A 68 -4.758 6.819 6.311 1.00 0.00 C ATOM 1047 O LYS A 68 -4.774 6.551 7.512 1.00 0.00 O ATOM 1048 CB LYS A 68 -5.432 9.143 5.698 1.00 0.00 C ATOM 1049 CG LYS A 68 -4.936 10.574 5.920 1.00 0.00 C ATOM 1050 CD LYS A 68 -6.069 11.558 5.624 1.00 0.00 C ATOM 1051 CE LYS A 68 -5.749 12.915 6.255 1.00 0.00 C ATOM 1052 NZ LYS A 68 -5.769 13.968 5.202 1.00 0.00 N ATOM 0 H LYS A 68 -3.683 8.840 3.910 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.533 8.561 6.532 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.893 9.055 4.714 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -6.198 8.894 6.432 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.593 10.696 6.947 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.083 10.779 5.273 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.197 11.668 4.547 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -7.010 11.175 6.019 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -6.478 13.148 7.032 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -4.771 12.884 6.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -5.552 14.891 5.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -5.058 13.747 4.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.712 14.003 4.764 1.00 0.00 H new ATOM 1066 N ARG A 69 -5.169 5.971 5.374 1.00 0.00 N ATOM 1067 CA ARG A 69 -5.671 4.646 5.719 1.00 0.00 C ATOM 1068 C ARG A 69 -4.576 3.813 6.375 1.00 0.00 C ATOM 1069 O ARG A 69 -4.715 3.368 7.514 1.00 0.00 O ATOM 1070 CB ARG A 69 -6.162 3.935 4.458 1.00 0.00 C ATOM 1071 CG ARG A 69 -7.365 3.056 4.801 1.00 0.00 C ATOM 1072 CD ARG A 69 -8.652 3.863 4.635 1.00 0.00 C ATOM 1073 NE ARG A 69 -9.577 3.569 5.725 1.00 0.00 N ATOM 1074 CZ ARG A 69 -10.890 3.685 5.563 1.00 0.00 C ATOM 1075 NH1 ARG A 69 -11.375 4.070 4.415 1.00 0.00 N ATOM 1076 NH2 ARG A 69 -11.696 3.415 6.554 1.00 0.00 N ATOM 0 H ARG A 69 -5.165 6.176 4.375 1.00 0.00 H new ATOM 0 HA ARG A 69 -6.496 4.761 6.422 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.438 4.667 3.700 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -5.362 3.326 4.037 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -7.386 2.181 4.151 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -7.282 2.691 5.825 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -8.422 4.928 4.621 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -9.118 3.625 3.679 1.00 0.00 H new ATOM 0 HE ARG A 69 -9.208 3.269 6.627 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -10.746 4.282 3.641 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -12.384 4.159 4.291 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -11.317 3.115 7.452 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -12.705 3.504 6.430 1.00 0.00 H new ATOM 1090 N THR A 70 -3.490 3.603 5.641 1.00 0.00 N ATOM 1091 CA THR A 70 -2.372 2.819 6.148 1.00 0.00 C ATOM 1092 C THR A 70 -2.050 3.198 7.589 1.00 0.00 C ATOM 1093 O THR A 70 -1.914 2.333 8.450 1.00 0.00 O ATOM 1094 CB THR A 70 -1.140 3.050 5.275 1.00 0.00 C ATOM 1095 OG1 THR A 70 -1.496 2.904 3.907 1.00 0.00 O ATOM 1096 CG2 THR A 70 -0.059 2.031 5.637 1.00 0.00 C ATOM 0 H THR A 70 -3.360 3.964 4.696 1.00 0.00 H new ATOM 0 HA THR A 70 -2.653 1.766 6.119 1.00 0.00 H new ATOM 0 HB THR A 70 -0.757 4.057 5.444 1.00 0.00 H new ATOM 0 HG1 THR A 70 -0.863 2.298 3.467 1.00 0.00 H new ATOM 0 HG21 THR A 70 0.820 2.196 5.014 1.00 0.00 H new ATOM 0 HG22 THR A 70 0.213 2.146 6.686 1.00 0.00 H new ATOM 0 HG23 THR A 70 -0.438 1.023 5.469 1.00 0.00 H new ATOM 1104 N SER A 71 -1.920 4.494 7.842 1.00 0.00 N ATOM 1105 CA SER A 71 -1.603 4.973 9.183 1.00 0.00 C ATOM 1106 C SER A 71 -2.654 4.512 10.190 1.00 0.00 C ATOM 1107 O SER A 71 -2.365 4.367 11.378 1.00 0.00 O ATOM 1108 CB SER A 71 -1.532 6.500 9.186 1.00 0.00 C ATOM 1109 OG SER A 71 -2.305 7.004 10.268 1.00 0.00 O ATOM 0 H SER A 71 -2.028 5.228 7.142 1.00 0.00 H new ATOM 0 HA SER A 71 -0.637 4.559 9.473 1.00 0.00 H new ATOM 0 HB2 SER A 71 -0.497 6.827 9.280 1.00 0.00 H new ATOM 0 HB3 SER A 71 -1.906 6.895 8.242 1.00 0.00 H new ATOM 0 HG SER A 71 -2.260 7.983 10.274 1.00 0.00 H new ATOM 1115 N ASN A 72 -3.874 4.290 9.713 1.00 0.00 N ATOM 1116 CA ASN A 72 -4.957 3.854 10.588 1.00 0.00 C ATOM 1117 C ASN A 72 -4.969 2.335 10.732 1.00 0.00 C ATOM 1118 O ASN A 72 -5.074 1.810 11.840 1.00 0.00 O ATOM 1119 CB ASN A 72 -6.302 4.324 10.032 1.00 0.00 C ATOM 1120 CG ASN A 72 -7.346 4.337 11.145 1.00 0.00 C ATOM 1121 OD1 ASN A 72 -7.557 3.253 11.842 1.00 0.00 O flip ATOM 1122 ND2 ASN A 72 -7.987 5.360 11.384 1.00 0.00 N flip ATOM 0 H ASN A 72 -4.137 4.403 8.734 1.00 0.00 H new ATOM 0 HA ASN A 72 -4.793 4.295 11.571 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -6.200 5.322 9.605 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -6.624 3.663 9.227 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -7.820 6.205 10.838 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -8.685 5.362 12.128 1.00 0.00 H new ATOM 1129 N ASN A 73 -4.871 1.633 9.608 1.00 0.00 N ATOM 1130 CA ASN A 73 -4.883 0.173 9.630 1.00 0.00 C ATOM 1131 C ASN A 73 -3.470 -0.383 9.769 1.00 0.00 C ATOM 1132 O ASN A 73 -3.284 -1.579 9.997 1.00 0.00 O ATOM 1133 CB ASN A 73 -5.521 -0.364 8.349 1.00 0.00 C ATOM 1134 CG ASN A 73 -6.306 -1.636 8.654 1.00 0.00 C ATOM 1135 OD1 ASN A 73 -7.463 -1.568 9.070 1.00 0.00 O ATOM 1136 ND2 ASN A 73 -5.743 -2.799 8.470 1.00 0.00 N ATOM 0 H ASN A 73 -4.783 2.045 8.679 1.00 0.00 H new ATOM 0 HA ASN A 73 -5.468 -0.148 10.492 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -6.183 0.388 7.919 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -4.750 -0.571 7.607 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -6.262 -3.654 8.671 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -4.785 -2.853 8.125 1.00 0.00 H new ATOM 1143 N ALA A 74 -2.475 0.487 9.631 1.00 0.00 N ATOM 1144 CA ALA A 74 -1.085 0.060 9.747 1.00 0.00 C ATOM 1145 C ALA A 74 -0.895 -0.778 11.005 1.00 0.00 C ATOM 1146 O ALA A 74 -0.035 -1.657 11.056 1.00 0.00 O ATOM 1147 CB ALA A 74 -0.161 1.279 9.802 1.00 0.00 C ATOM 0 H ALA A 74 -2.602 1.481 9.441 1.00 0.00 H new ATOM 0 HA ALA A 74 -0.834 -0.542 8.874 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.874 0.948 9.889 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.279 1.866 8.891 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -0.419 1.892 10.665 1.00 0.00 H new ATOM 1153 N ASP A 75 -1.708 -0.497 12.018 1.00 0.00 N ATOM 1154 CA ASP A 75 -1.624 -1.226 13.278 1.00 0.00 C ATOM 1155 C ASP A 75 -2.044 -2.682 13.090 1.00 0.00 C ATOM 1156 O ASP A 75 -1.576 -3.566 13.806 1.00 0.00 O ATOM 1157 CB ASP A 75 -2.523 -0.565 14.323 1.00 0.00 C ATOM 1158 CG ASP A 75 -2.558 0.943 14.100 1.00 0.00 C ATOM 1159 OD1 ASP A 75 -1.527 1.495 13.754 1.00 0.00 O ATOM 1160 OD2 ASP A 75 -3.616 1.524 14.280 1.00 0.00 O ATOM 0 H ASP A 75 -2.428 0.225 11.992 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.589 -1.202 13.619 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -3.531 -0.974 14.259 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -2.153 -0.785 15.325 1.00 0.00 H new ATOM 1165 N LYS A 76 -2.931 -2.926 12.130 1.00 0.00 N ATOM 1166 CA LYS A 76 -3.401 -4.283 11.873 1.00 0.00 C ATOM 1167 C LYS A 76 -2.433 -5.030 10.961 1.00 0.00 C ATOM 1168 O LYS A 76 -2.395 -6.260 10.957 1.00 0.00 O ATOM 1169 CB LYS A 76 -4.785 -4.245 11.221 1.00 0.00 C ATOM 1170 CG LYS A 76 -5.744 -3.444 12.103 1.00 0.00 C ATOM 1171 CD LYS A 76 -6.326 -4.357 13.183 1.00 0.00 C ATOM 1172 CE LYS A 76 -7.530 -3.675 13.835 1.00 0.00 C ATOM 1173 NZ LYS A 76 -7.948 -4.448 15.039 1.00 0.00 N ATOM 0 H LYS A 76 -3.335 -2.212 11.524 1.00 0.00 H new ATOM 0 HA LYS A 76 -3.460 -4.807 12.827 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -4.720 -3.792 10.232 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -5.162 -5.259 11.083 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -5.219 -2.607 12.563 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -6.546 -3.022 11.497 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -6.627 -5.309 12.746 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -5.568 -4.577 13.935 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -7.274 -2.653 14.116 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -8.355 -3.613 13.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -8.767 -3.984 15.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -8.208 -5.415 14.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -7.161 -4.485 15.718 1.00 0.00 H new ATOM 1187 N LEU A 77 -1.656 -4.282 10.186 1.00 0.00 N ATOM 1188 CA LEU A 77 -0.698 -4.890 9.271 1.00 0.00 C ATOM 1189 C LEU A 77 0.568 -5.313 10.012 1.00 0.00 C ATOM 1190 O LEU A 77 0.953 -6.482 9.985 1.00 0.00 O ATOM 1191 CB LEU A 77 -0.335 -3.897 8.166 1.00 0.00 C ATOM 1192 CG LEU A 77 -1.604 -3.210 7.658 1.00 0.00 C ATOM 1193 CD1 LEU A 77 -1.278 -2.401 6.401 1.00 0.00 C ATOM 1194 CD2 LEU A 77 -2.659 -4.266 7.323 1.00 0.00 C ATOM 0 H LEU A 77 -1.670 -3.262 10.173 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.157 -5.776 8.833 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.366 -3.154 8.546 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.163 -4.415 7.347 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.989 -2.544 8.431 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.182 -1.911 6.039 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.527 -1.647 6.638 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.892 -3.067 5.629 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.563 -3.776 6.961 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.274 -4.933 6.551 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.893 -4.843 8.218 1.00 0.00 H new ATOM 1206 N ALA A 78 1.211 -4.353 10.667 1.00 0.00 N ATOM 1207 CA ALA A 78 2.437 -4.633 11.408 1.00 0.00 C ATOM 1208 C ALA A 78 2.337 -5.968 12.140 1.00 0.00 C ATOM 1209 O ALA A 78 3.330 -6.684 12.281 1.00 0.00 O ATOM 1210 CB ALA A 78 2.699 -3.517 12.422 1.00 0.00 C ATOM 0 H ALA A 78 0.907 -3.380 10.701 1.00 0.00 H new ATOM 0 HA ALA A 78 3.261 -4.685 10.696 1.00 0.00 H new ATOM 0 HB1 ALA A 78 3.615 -3.732 12.971 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.805 -2.567 11.898 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.864 -3.456 13.120 1.00 0.00 H new ATOM 1216 N ALA A 79 1.137 -6.297 12.604 1.00 0.00 N ATOM 1217 CA ALA A 79 0.921 -7.547 13.323 1.00 0.00 C ATOM 1218 C ALA A 79 0.827 -8.719 12.352 1.00 0.00 C ATOM 1219 O ALA A 79 1.171 -9.850 12.695 1.00 0.00 O ATOM 1220 CB ALA A 79 -0.367 -7.460 14.144 1.00 0.00 C ATOM 0 H ALA A 79 0.303 -5.719 12.496 1.00 0.00 H new ATOM 0 HA ALA A 79 1.769 -7.710 13.989 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.522 -8.397 14.678 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.287 -6.643 14.861 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.211 -7.278 13.479 1.00 0.00 H new ATOM 1226 N ILE A 80 0.356 -8.442 11.142 1.00 0.00 N ATOM 1227 CA ILE A 80 0.218 -9.484 10.132 1.00 0.00 C ATOM 1228 C ILE A 80 1.521 -9.668 9.360 1.00 0.00 C ATOM 1229 O ILE A 80 1.726 -10.689 8.706 1.00 0.00 O ATOM 1230 CB ILE A 80 -0.905 -9.122 9.160 1.00 0.00 C ATOM 1231 CG1 ILE A 80 -2.244 -9.140 9.902 1.00 0.00 C ATOM 1232 CG2 ILE A 80 -0.939 -10.140 8.020 1.00 0.00 C ATOM 1233 CD1 ILE A 80 -3.323 -8.498 9.027 1.00 0.00 C ATOM 0 H ILE A 80 0.065 -7.513 10.838 1.00 0.00 H new ATOM 0 HA ILE A 80 -0.023 -10.419 10.637 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.728 -8.127 8.752 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -2.522 -10.165 10.147 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -2.156 -8.600 10.845 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -1.739 -9.883 7.326 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.015 -10.128 7.493 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -1.117 -11.136 8.426 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.276 -8.511 9.556 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -3.046 -7.468 8.805 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.417 -9.057 8.096 1.00 0.00 H new ATOM 1245 N ALA A 81 2.398 -8.673 9.441 1.00 0.00 N ATOM 1246 CA ALA A 81 3.676 -8.741 8.742 1.00 0.00 C ATOM 1247 C ALA A 81 4.783 -9.204 9.683 1.00 0.00 C ATOM 1248 O ALA A 81 5.954 -9.239 9.307 1.00 0.00 O ATOM 1249 CB ALA A 81 4.030 -7.370 8.165 1.00 0.00 C ATOM 0 H ALA A 81 2.250 -7.818 9.978 1.00 0.00 H new ATOM 0 HA ALA A 81 3.584 -9.463 7.930 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.986 -7.430 7.645 1.00 0.00 H new ATOM 0 HB2 ALA A 81 3.255 -7.059 7.465 1.00 0.00 H new ATOM 0 HB3 ALA A 81 4.102 -6.643 8.974 1.00 0.00 H new ATOM 1255 N ALA A 82 4.405 -9.559 10.908 1.00 0.00 N ATOM 1256 CA ALA A 82 5.379 -10.019 11.891 1.00 0.00 C ATOM 1257 C ALA A 82 6.601 -9.109 11.899 1.00 0.00 C ATOM 1258 O ALA A 82 6.675 -8.141 11.143 1.00 0.00 O ATOM 1259 CB ALA A 82 5.808 -11.452 11.569 1.00 0.00 C ATOM 0 H ALA A 82 3.441 -9.537 11.241 1.00 0.00 H new ATOM 0 HA ALA A 82 4.914 -9.992 12.877 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.536 -11.789 12.308 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.937 -12.107 11.593 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.258 -11.483 10.577 1.00 0.00 H new ATOM 1265 N PRO A 83 7.552 -9.403 12.743 1.00 0.00 N ATOM 1266 CA PRO A 83 8.801 -8.598 12.863 1.00 0.00 C ATOM 1267 C PRO A 83 9.588 -8.558 11.556 1.00 0.00 C ATOM 1268 O PRO A 83 10.785 -8.268 11.549 1.00 0.00 O ATOM 1269 CB PRO A 83 9.604 -9.307 13.959 1.00 0.00 C ATOM 1270 CG PRO A 83 8.638 -10.196 14.673 1.00 0.00 C ATOM 1271 CD PRO A 83 7.537 -10.537 13.676 1.00 0.00 C ATOM 0 HA PRO A 83 8.586 -7.556 13.100 1.00 0.00 H new ATOM 0 HB2 PRO A 83 10.422 -9.886 13.530 1.00 0.00 H new ATOM 0 HB3 PRO A 83 10.049 -8.586 14.644 1.00 0.00 H new ATOM 0 HG2 PRO A 83 9.133 -11.100 15.027 1.00 0.00 H new ATOM 0 HG3 PRO A 83 8.225 -9.695 15.549 1.00 0.00 H new ATOM 0 HD2 PRO A 83 7.737 -11.479 13.165 1.00 0.00 H new ATOM 0 HD3 PRO A 83 6.569 -10.639 14.167 1.00 0.00 H new ATOM 1279 N ALA A 84 8.909 -8.848 10.450 1.00 0.00 N ATOM 1280 CA ALA A 84 9.556 -8.841 9.143 1.00 0.00 C ATOM 1281 C ALA A 84 9.990 -7.428 8.767 1.00 0.00 C ATOM 1282 O ALA A 84 10.172 -6.573 9.634 1.00 0.00 O ATOM 1283 CB ALA A 84 8.595 -9.382 8.083 1.00 0.00 C ATOM 0 H ALA A 84 7.918 -9.089 10.432 1.00 0.00 H new ATOM 0 HA ALA A 84 10.439 -9.478 9.192 1.00 0.00 H new ATOM 0 HB1 ALA A 84 9.085 -9.374 7.109 1.00 0.00 H new ATOM 0 HB2 ALA A 84 8.310 -10.403 8.337 1.00 0.00 H new ATOM 0 HB3 ALA A 84 7.704 -8.755 8.046 1.00 0.00 H new ATOM 1289 N GLU A 85 10.155 -7.190 7.470 1.00 0.00 N ATOM 1290 CA GLU A 85 10.568 -5.877 6.992 1.00 0.00 C ATOM 1291 C GLU A 85 9.443 -5.213 6.203 1.00 0.00 C ATOM 1292 O GLU A 85 9.297 -5.439 5.002 1.00 0.00 O ATOM 1293 CB GLU A 85 11.806 -6.011 6.104 1.00 0.00 C ATOM 1294 CG GLU A 85 12.947 -6.632 6.913 1.00 0.00 C ATOM 1295 CD GLU A 85 13.694 -5.547 7.679 1.00 0.00 C ATOM 1296 OE1 GLU A 85 13.037 -4.698 8.258 1.00 0.00 O ATOM 1297 OE2 GLU A 85 14.914 -5.580 7.677 1.00 0.00 O ATOM 0 H GLU A 85 10.010 -7.884 6.736 1.00 0.00 H new ATOM 0 HA GLU A 85 10.805 -5.256 7.856 1.00 0.00 H new ATOM 0 HB2 GLU A 85 11.580 -6.632 5.237 1.00 0.00 H new ATOM 0 HB3 GLU A 85 12.104 -5.033 5.726 1.00 0.00 H new ATOM 0 HG2 GLU A 85 12.550 -7.372 7.608 1.00 0.00 H new ATOM 0 HG3 GLU A 85 13.633 -7.156 6.247 1.00 0.00 H new ATOM 1304 N ILE A 86 8.649 -4.395 6.888 1.00 0.00 N ATOM 1305 CA ILE A 86 7.541 -3.705 6.239 1.00 0.00 C ATOM 1306 C ILE A 86 7.822 -2.207 6.157 1.00 0.00 C ATOM 1307 O ILE A 86 8.421 -1.629 7.063 1.00 0.00 O ATOM 1308 CB ILE A 86 6.245 -3.946 7.018 1.00 0.00 C ATOM 1309 CG1 ILE A 86 6.579 -4.486 8.411 1.00 0.00 C ATOM 1310 CG2 ILE A 86 5.385 -4.968 6.272 1.00 0.00 C ATOM 1311 CD1 ILE A 86 5.299 -4.576 9.244 1.00 0.00 C ATOM 0 H ILE A 86 8.751 -4.196 7.883 1.00 0.00 H new ATOM 0 HA ILE A 86 7.431 -4.099 5.229 1.00 0.00 H new ATOM 0 HB ILE A 86 5.699 -3.007 7.112 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.043 -5.469 8.330 1.00 0.00 H new ATOM 0 HG13 ILE A 86 7.300 -3.833 8.902 1.00 0.00 H new ATOM 0 HG21 ILE A 86 4.462 -5.140 6.826 1.00 0.00 H new ATOM 0 HG22 ILE A 86 5.147 -4.587 5.279 1.00 0.00 H new ATOM 0 HG23 ILE A 86 5.933 -5.906 6.179 1.00 0.00 H new ATOM 0 HD11 ILE A 86 5.537 -4.960 10.236 1.00 0.00 H new ATOM 0 HD12 ILE A 86 4.854 -3.585 9.336 1.00 0.00 H new ATOM 0 HD13 ILE A 86 4.593 -5.247 8.755 1.00 0.00 H new ATOM 1323 N PHE A 87 7.389 -1.586 5.065 1.00 0.00 N ATOM 1324 CA PHE A 87 7.604 -0.155 4.876 1.00 0.00 C ATOM 1325 C PHE A 87 6.274 0.574 4.724 1.00 0.00 C ATOM 1326 O PHE A 87 5.222 -0.054 4.603 1.00 0.00 O ATOM 1327 CB PHE A 87 8.463 0.087 3.635 1.00 0.00 C ATOM 1328 CG PHE A 87 9.923 0.085 4.024 1.00 0.00 C ATOM 1329 CD1 PHE A 87 10.488 1.215 4.629 1.00 0.00 C ATOM 1330 CD2 PHE A 87 10.710 -1.046 3.779 1.00 0.00 C ATOM 1331 CE1 PHE A 87 11.841 1.212 4.988 1.00 0.00 C ATOM 1332 CE2 PHE A 87 12.063 -1.049 4.138 1.00 0.00 C ATOM 1333 CZ PHE A 87 12.628 0.081 4.742 1.00 0.00 C ATOM 0 H PHE A 87 6.891 -2.046 4.303 1.00 0.00 H new ATOM 0 HA PHE A 87 8.119 0.232 5.755 1.00 0.00 H new ATOM 0 HB2 PHE A 87 8.273 -0.687 2.892 1.00 0.00 H new ATOM 0 HB3 PHE A 87 8.199 1.040 3.177 1.00 0.00 H new ATOM 0 HD1 PHE A 87 9.880 2.088 4.818 1.00 0.00 H new ATOM 0 HD2 PHE A 87 10.273 -1.917 3.313 1.00 0.00 H new ATOM 0 HE1 PHE A 87 12.278 2.082 5.455 1.00 0.00 H new ATOM 0 HE2 PHE A 87 12.670 -1.922 3.949 1.00 0.00 H new ATOM 0 HZ PHE A 87 13.672 0.080 5.018 1.00 0.00 H new ATOM 1343 N LEU A 88 6.329 1.900 4.731 1.00 0.00 N ATOM 1344 CA LEU A 88 5.121 2.705 4.590 1.00 0.00 C ATOM 1345 C LEU A 88 5.370 3.882 3.655 1.00 0.00 C ATOM 1346 O LEU A 88 6.331 4.633 3.827 1.00 0.00 O ATOM 1347 CB LEU A 88 4.675 3.216 5.964 1.00 0.00 C ATOM 1348 CG LEU A 88 3.625 4.316 5.789 1.00 0.00 C ATOM 1349 CD1 LEU A 88 2.461 3.785 4.949 1.00 0.00 C ATOM 1350 CD2 LEU A 88 3.106 4.743 7.164 1.00 0.00 C ATOM 0 H LEU A 88 7.190 2.438 4.832 1.00 0.00 H new ATOM 0 HA LEU A 88 4.334 2.083 4.164 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.262 2.396 6.551 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.532 3.603 6.515 1.00 0.00 H new ATOM 0 HG LEU A 88 4.075 5.171 5.285 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.714 4.569 4.825 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.829 3.477 3.970 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.009 2.930 5.452 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.358 5.526 7.043 1.00 0.00 H new ATOM 0 HD22 LEU A 88 2.656 3.886 7.665 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.934 5.121 7.764 1.00 0.00 H new ATOM 1362 N LEU A 89 4.499 4.037 2.664 1.00 0.00 N ATOM 1363 CA LEU A 89 4.636 5.125 1.703 1.00 0.00 C ATOM 1364 C LEU A 89 3.942 6.384 2.216 1.00 0.00 C ATOM 1365 O LEU A 89 2.729 6.538 2.075 1.00 0.00 O ATOM 1366 CB LEU A 89 4.030 4.713 0.361 1.00 0.00 C ATOM 1367 CG LEU A 89 4.445 5.713 -0.720 1.00 0.00 C ATOM 1368 CD1 LEU A 89 4.891 4.958 -1.973 1.00 0.00 C ATOM 1369 CD2 LEU A 89 3.257 6.608 -1.068 1.00 0.00 C ATOM 0 H LEU A 89 3.696 3.428 2.506 1.00 0.00 H new ATOM 0 HA LEU A 89 5.697 5.339 1.571 1.00 0.00 H new ATOM 0 HB2 LEU A 89 4.365 3.711 0.092 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.943 4.676 0.438 1.00 0.00 H new ATOM 0 HG LEU A 89 5.269 6.323 -0.350 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.186 5.672 -2.742 1.00 0.00 H new ATOM 0 HD12 LEU A 89 5.738 4.316 -1.729 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.067 4.347 -2.342 1.00 0.00 H new ATOM 0 HD21 LEU A 89 3.552 7.321 -1.838 1.00 0.00 H new ATOM 0 HD22 LEU A 89 2.435 5.995 -1.437 1.00 0.00 H new ATOM 0 HD23 LEU A 89 2.935 7.148 -0.178 1.00 0.00 H new ATOM 1381 N GLU A 90 4.722 7.281 2.812 1.00 0.00 N ATOM 1382 CA GLU A 90 4.175 8.524 3.344 1.00 0.00 C ATOM 1383 C GLU A 90 3.233 9.177 2.337 1.00 0.00 C ATOM 1384 O GLU A 90 3.507 9.193 1.137 1.00 0.00 O ATOM 1385 CB GLU A 90 5.312 9.493 3.678 1.00 0.00 C ATOM 1386 CG GLU A 90 4.972 10.256 4.960 1.00 0.00 C ATOM 1387 CD GLU A 90 5.692 11.600 4.973 1.00 0.00 C ATOM 1388 OE1 GLU A 90 6.889 11.607 5.212 1.00 0.00 O ATOM 1389 OE2 GLU A 90 5.036 12.602 4.744 1.00 0.00 O ATOM 0 H GLU A 90 5.728 7.171 2.938 1.00 0.00 H new ATOM 0 HA GLU A 90 3.614 8.290 4.249 1.00 0.00 H new ATOM 0 HB2 GLU A 90 6.246 8.945 3.805 1.00 0.00 H new ATOM 0 HB3 GLU A 90 5.462 10.192 2.855 1.00 0.00 H new ATOM 0 HG2 GLU A 90 3.895 10.410 5.026 1.00 0.00 H new ATOM 0 HG3 GLU A 90 5.264 9.669 5.831 1.00 0.00 H new ATOM 1396 N ASP A 91 2.125 9.716 2.835 1.00 0.00 N ATOM 1397 CA ASP A 91 1.150 10.371 1.970 1.00 0.00 C ATOM 1398 C ASP A 91 0.357 9.340 1.175 1.00 0.00 C ATOM 1399 O ASP A 91 -0.871 9.406 1.105 1.00 0.00 O ATOM 1400 CB ASP A 91 1.862 11.321 1.006 1.00 0.00 C ATOM 1401 CG ASP A 91 3.193 11.768 1.598 1.00 0.00 C ATOM 1402 OD1 ASP A 91 3.255 11.937 2.804 1.00 0.00 O ATOM 1403 OD2 ASP A 91 4.133 11.934 0.838 1.00 0.00 O ATOM 0 H ASP A 91 1.881 9.713 3.825 1.00 0.00 H new ATOM 0 HA ASP A 91 0.461 10.937 2.597 1.00 0.00 H new ATOM 0 HB2 ASP A 91 2.029 10.824 0.050 1.00 0.00 H new ATOM 0 HB3 ASP A 91 1.233 12.189 0.808 1.00 0.00 H new ATOM 1408 N GLY A 92 1.066 8.394 0.572 1.00 0.00 N ATOM 1409 CA GLY A 92 0.419 7.358 -0.222 1.00 0.00 C ATOM 1410 C GLY A 92 0.636 7.608 -1.709 1.00 0.00 C ATOM 1411 O GLY A 92 1.594 8.274 -2.102 1.00 0.00 O ATOM 0 H GLY A 92 2.083 8.323 0.617 1.00 0.00 H new ATOM 0 HA2 GLY A 92 0.819 6.381 0.050 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -0.649 7.338 -0.003 1.00 0.00 H new ATOM 1415 N ILE A 93 -0.257 7.076 -2.534 1.00 0.00 N ATOM 1416 CA ILE A 93 -0.146 7.251 -3.976 1.00 0.00 C ATOM 1417 C ILE A 93 0.042 8.725 -4.323 1.00 0.00 C ATOM 1418 O ILE A 93 0.516 9.062 -5.407 1.00 0.00 O ATOM 1419 CB ILE A 93 -1.406 6.717 -4.662 1.00 0.00 C ATOM 1420 CG1 ILE A 93 -1.054 6.244 -6.074 1.00 0.00 C ATOM 1421 CG2 ILE A 93 -2.455 7.828 -4.746 1.00 0.00 C ATOM 1422 CD1 ILE A 93 -2.218 5.431 -6.646 1.00 0.00 C ATOM 0 H ILE A 93 -1.060 6.524 -2.232 1.00 0.00 H new ATOM 0 HA ILE A 93 0.723 6.695 -4.328 1.00 0.00 H new ATOM 0 HB ILE A 93 -1.806 5.883 -4.085 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -0.846 7.101 -6.715 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -0.149 5.636 -6.050 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -3.351 7.446 -5.235 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -2.706 8.168 -3.741 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -2.056 8.663 -5.322 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -1.967 5.094 -7.652 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -2.405 4.566 -6.010 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -3.112 6.053 -6.684 1.00 0.00 H new ATOM 1434 N ASP A 94 -0.333 9.598 -3.393 1.00 0.00 N ATOM 1435 CA ASP A 94 -0.202 11.035 -3.610 1.00 0.00 C ATOM 1436 C ASP A 94 1.246 11.397 -3.925 1.00 0.00 C ATOM 1437 O ASP A 94 1.512 12.311 -4.704 1.00 0.00 O ATOM 1438 CB ASP A 94 -0.667 11.793 -2.366 1.00 0.00 C ATOM 1439 CG ASP A 94 -2.189 11.877 -2.347 1.00 0.00 C ATOM 1440 OD1 ASP A 94 -2.819 10.996 -2.909 1.00 0.00 O ATOM 1441 OD2 ASP A 94 -2.704 12.821 -1.771 1.00 0.00 O ATOM 0 H ASP A 94 -0.727 9.339 -2.489 1.00 0.00 H new ATOM 0 HA ASP A 94 -0.825 11.318 -4.458 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -0.311 11.288 -1.468 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -0.239 12.795 -2.359 1.00 0.00 H new ATOM 1446 N GLY A 95 2.177 10.670 -3.316 1.00 0.00 N ATOM 1447 CA GLY A 95 3.597 10.916 -3.543 1.00 0.00 C ATOM 1448 C GLY A 95 4.068 10.209 -4.808 1.00 0.00 C ATOM 1449 O GLY A 95 4.896 10.732 -5.556 1.00 0.00 O ATOM 0 H GLY A 95 1.976 9.910 -2.666 1.00 0.00 H new ATOM 0 HA2 GLY A 95 3.777 11.988 -3.630 1.00 0.00 H new ATOM 0 HA3 GLY A 95 4.174 10.565 -2.687 1.00 0.00 H new ATOM 1453 N TRP A 96 3.528 9.018 -5.043 1.00 0.00 N ATOM 1454 CA TRP A 96 3.888 8.240 -6.222 1.00 0.00 C ATOM 1455 C TRP A 96 3.395 8.935 -7.485 1.00 0.00 C ATOM 1456 O TRP A 96 3.995 8.804 -8.553 1.00 0.00 O ATOM 1457 CB TRP A 96 3.265 6.845 -6.127 1.00 0.00 C ATOM 1458 CG TRP A 96 4.221 5.830 -6.665 1.00 0.00 C ATOM 1459 CD1 TRP A 96 5.406 5.502 -6.101 1.00 0.00 C ATOM 1460 CD2 TRP A 96 4.093 5.007 -7.860 1.00 0.00 C ATOM 1461 NE1 TRP A 96 6.014 4.529 -6.874 1.00 0.00 N ATOM 1462 CE2 TRP A 96 5.244 4.190 -7.969 1.00 0.00 C ATOM 1463 CE3 TRP A 96 3.102 4.891 -8.850 1.00 0.00 C ATOM 1464 CZ2 TRP A 96 5.403 3.289 -9.023 1.00 0.00 C ATOM 1465 CZ3 TRP A 96 3.259 3.985 -9.912 1.00 0.00 C ATOM 1466 CH2 TRP A 96 4.408 3.187 -9.999 1.00 0.00 C ATOM 0 H TRP A 96 2.842 8.572 -4.435 1.00 0.00 H new ATOM 0 HA TRP A 96 4.974 8.153 -6.269 1.00 0.00 H new ATOM 0 HB2 TRP A 96 3.021 6.615 -5.090 1.00 0.00 H new ATOM 0 HB3 TRP A 96 2.332 6.814 -6.689 1.00 0.00 H new ATOM 0 HD1 TRP A 96 5.811 5.930 -5.196 1.00 0.00 H new ATOM 0 HE1 TRP A 96 6.921 4.113 -6.661 1.00 0.00 H new ATOM 0 HE3 TRP A 96 2.214 5.503 -8.794 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 6.289 2.675 -9.084 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 2.490 3.903 -10.666 1.00 0.00 H new ATOM 0 HH2 TRP A 96 4.524 2.494 -10.819 1.00 0.00 H new ATOM 1477 N LYS A 97 2.302 9.677 -7.354 1.00 0.00 N ATOM 1478 CA LYS A 97 1.736 10.396 -8.489 1.00 0.00 C ATOM 1479 C LYS A 97 2.481 11.706 -8.716 1.00 0.00 C ATOM 1480 O LYS A 97 2.791 12.068 -9.851 1.00 0.00 O ATOM 1481 CB LYS A 97 0.254 10.683 -8.241 1.00 0.00 C ATOM 1482 CG LYS A 97 -0.514 10.570 -9.560 1.00 0.00 C ATOM 1483 CD LYS A 97 -1.803 11.392 -9.476 1.00 0.00 C ATOM 1484 CE LYS A 97 -2.837 10.642 -8.633 1.00 0.00 C ATOM 1485 NZ LYS A 97 -2.409 10.635 -7.206 1.00 0.00 N ATOM 0 H LYS A 97 1.792 9.796 -6.479 1.00 0.00 H new ATOM 0 HA LYS A 97 1.839 9.774 -9.378 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.147 9.978 -7.513 1.00 0.00 H new ATOM 0 HB3 LYS A 97 0.131 11.681 -7.820 1.00 0.00 H new ATOM 0 HG2 LYS A 97 0.104 10.927 -10.384 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -0.749 9.526 -9.767 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -1.596 12.367 -9.034 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -2.197 11.573 -10.476 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -3.813 11.118 -8.728 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -2.944 9.620 -8.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -3.247 10.681 -6.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -1.881 9.762 -7.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -1.800 11.458 -7.022 1.00 0.00 H new ATOM 1499 N ARG A 98 2.766 12.414 -7.628 1.00 0.00 N ATOM 1500 CA ARG A 98 3.477 13.682 -7.717 1.00 0.00 C ATOM 1501 C ARG A 98 4.966 13.441 -7.949 1.00 0.00 C ATOM 1502 O ARG A 98 5.666 14.296 -8.490 1.00 0.00 O ATOM 1503 CB ARG A 98 3.279 14.483 -6.427 1.00 0.00 C ATOM 1504 CG ARG A 98 4.275 15.642 -6.387 1.00 0.00 C ATOM 1505 CD ARG A 98 3.786 16.704 -5.399 1.00 0.00 C ATOM 1506 NE ARG A 98 2.790 16.137 -4.497 1.00 0.00 N ATOM 1507 CZ ARG A 98 2.353 16.817 -3.442 1.00 0.00 C ATOM 1508 NH1 ARG A 98 2.821 18.010 -3.195 1.00 0.00 N ATOM 1509 NH2 ARG A 98 1.456 16.292 -2.651 1.00 0.00 N ATOM 0 H ARG A 98 2.517 12.132 -6.680 1.00 0.00 H new ATOM 0 HA ARG A 98 3.076 14.248 -8.558 1.00 0.00 H new ATOM 0 HB2 ARG A 98 2.259 14.864 -6.376 1.00 0.00 H new ATOM 0 HB3 ARG A 98 3.421 13.837 -5.560 1.00 0.00 H new ATOM 0 HG2 ARG A 98 5.259 15.279 -6.090 1.00 0.00 H new ATOM 0 HG3 ARG A 98 4.383 16.077 -7.381 1.00 0.00 H new ATOM 0 HD2 ARG A 98 4.628 17.091 -4.825 1.00 0.00 H new ATOM 0 HD3 ARG A 98 3.357 17.546 -5.942 1.00 0.00 H new ATOM 0 HE ARG A 98 2.423 15.203 -4.679 1.00 0.00 H new ATOM 0 HH11 ARG A 98 3.522 18.421 -3.812 1.00 0.00 H new ATOM 0 HH12 ARG A 98 2.486 18.532 -2.385 1.00 0.00 H new ATOM 0 HH21 ARG A 98 1.090 15.359 -2.843 1.00 0.00 H new ATOM 0 HH22 ARG A 98 1.121 16.815 -1.842 1.00 0.00 H new ATOM 1523 N ALA A 99 5.440 12.269 -7.537 1.00 0.00 N ATOM 1524 CA ALA A 99 6.846 11.921 -7.706 1.00 0.00 C ATOM 1525 C ALA A 99 7.268 12.093 -9.161 1.00 0.00 C ATOM 1526 O ALA A 99 8.358 12.591 -9.447 1.00 0.00 O ATOM 1527 CB ALA A 99 7.078 10.471 -7.278 1.00 0.00 C ATOM 0 H ALA A 99 4.875 11.549 -7.087 1.00 0.00 H new ATOM 0 HA ALA A 99 7.444 12.586 -7.083 1.00 0.00 H new ATOM 0 HB1 ALA A 99 8.130 10.218 -7.407 1.00 0.00 H new ATOM 0 HB2 ALA A 99 6.802 10.352 -6.230 1.00 0.00 H new ATOM 0 HB3 ALA A 99 6.468 9.808 -7.892 1.00 0.00 H new ATOM 1533 N GLY A 100 6.401 11.674 -10.075 1.00 0.00 N ATOM 1534 CA GLY A 100 6.693 11.783 -11.499 1.00 0.00 C ATOM 1535 C GLY A 100 6.386 10.475 -12.220 1.00 0.00 C ATOM 1536 O GLY A 100 7.026 10.141 -13.218 1.00 0.00 O ATOM 0 H GLY A 100 5.495 11.258 -9.858 1.00 0.00 H new ATOM 0 HA2 GLY A 100 6.103 12.590 -11.934 1.00 0.00 H new ATOM 0 HA3 GLY A 100 7.742 12.043 -11.640 1.00 0.00 H new ATOM 1540 N LEU A 101 5.403 9.739 -11.711 1.00 0.00 N ATOM 1541 CA LEU A 101 5.018 8.471 -12.316 1.00 0.00 C ATOM 1542 C LEU A 101 3.565 8.531 -12.780 1.00 0.00 C ATOM 1543 O LEU A 101 2.719 9.123 -12.112 1.00 0.00 O ATOM 1544 CB LEU A 101 5.185 7.339 -11.300 1.00 0.00 C ATOM 1545 CG LEU A 101 6.530 7.489 -10.587 1.00 0.00 C ATOM 1546 CD1 LEU A 101 6.570 6.568 -9.367 1.00 0.00 C ATOM 1547 CD2 LEU A 101 7.660 7.112 -11.549 1.00 0.00 C ATOM 0 H LEU A 101 4.862 9.998 -10.886 1.00 0.00 H new ATOM 0 HA LEU A 101 5.660 8.282 -13.176 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.372 7.364 -10.575 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.134 6.374 -11.803 1.00 0.00 H new ATOM 0 HG LEU A 101 6.656 8.522 -10.263 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.529 6.676 -8.861 1.00 0.00 H new ATOM 0 HD12 LEU A 101 5.766 6.836 -8.682 1.00 0.00 H new ATOM 0 HD13 LEU A 101 6.444 5.534 -9.688 1.00 0.00 H new ATOM 0 HD21 LEU A 101 8.619 7.218 -11.043 1.00 0.00 H new ATOM 0 HD22 LEU A 101 7.533 6.079 -11.873 1.00 0.00 H new ATOM 0 HD23 LEU A 101 7.633 7.770 -12.417 1.00 0.00 H new ATOM 1559 N PRO A 102 3.263 7.936 -13.904 1.00 0.00 N ATOM 1560 CA PRO A 102 1.880 7.930 -14.456 1.00 0.00 C ATOM 1561 C PRO A 102 0.956 6.994 -13.680 1.00 0.00 C ATOM 1562 O PRO A 102 1.408 6.215 -12.841 1.00 0.00 O ATOM 1563 CB PRO A 102 2.068 7.449 -15.893 1.00 0.00 C ATOM 1564 CG PRO A 102 3.313 6.626 -15.874 1.00 0.00 C ATOM 1565 CD PRO A 102 4.202 7.204 -14.771 1.00 0.00 C ATOM 0 HA PRO A 102 1.406 8.909 -14.390 1.00 0.00 H new ATOM 0 HB2 PRO A 102 1.213 6.861 -16.226 1.00 0.00 H new ATOM 0 HB3 PRO A 102 2.163 8.290 -16.580 1.00 0.00 H new ATOM 0 HG2 PRO A 102 3.082 5.579 -15.677 1.00 0.00 H new ATOM 0 HG3 PRO A 102 3.818 6.665 -16.839 1.00 0.00 H new ATOM 0 HD2 PRO A 102 4.721 6.417 -14.223 1.00 0.00 H new ATOM 0 HD3 PRO A 102 4.966 7.865 -15.180 1.00 0.00 H new ATOM 1573 N VAL A 103 -0.338 7.080 -13.965 1.00 0.00 N ATOM 1574 CA VAL A 103 -1.316 6.242 -13.289 1.00 0.00 C ATOM 1575 C VAL A 103 -1.987 5.297 -14.280 1.00 0.00 C ATOM 1576 O VAL A 103 -1.870 5.471 -15.492 1.00 0.00 O ATOM 1577 CB VAL A 103 -2.374 7.121 -12.625 1.00 0.00 C ATOM 1578 CG1 VAL A 103 -1.953 7.432 -11.189 1.00 0.00 C ATOM 1579 CG2 VAL A 103 -2.513 8.427 -13.410 1.00 0.00 C ATOM 0 H VAL A 103 -0.731 7.719 -14.656 1.00 0.00 H new ATOM 0 HA VAL A 103 -0.803 5.649 -12.531 1.00 0.00 H new ATOM 0 HB VAL A 103 -3.329 6.597 -12.616 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -2.709 8.059 -10.716 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -1.852 6.502 -10.630 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -0.998 7.957 -11.195 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -3.268 9.056 -12.938 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -1.557 8.950 -13.418 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -2.814 8.206 -14.434 1.00 0.00 H new ATOM 1589 N ALA A 104 -2.695 4.302 -13.757 1.00 0.00 N ATOM 1590 CA ALA A 104 -3.384 3.341 -14.606 1.00 0.00 C ATOM 1591 C ALA A 104 -4.876 3.343 -14.303 1.00 0.00 C ATOM 1592 O ALA A 104 -5.294 3.018 -13.191 1.00 0.00 O ATOM 1593 CB ALA A 104 -2.816 1.941 -14.381 1.00 0.00 C ATOM 0 H ALA A 104 -2.806 4.141 -12.756 1.00 0.00 H new ATOM 0 HA ALA A 104 -3.233 3.627 -15.647 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -3.338 1.229 -15.021 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -1.753 1.936 -14.624 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -2.951 1.657 -13.337 1.00 0.00 H new ATOM 1599 N VAL A 105 -5.677 3.714 -15.294 1.00 0.00 N ATOM 1600 CA VAL A 105 -7.123 3.757 -15.117 1.00 0.00 C ATOM 1601 C VAL A 105 -7.766 2.479 -15.636 1.00 0.00 C ATOM 1602 O VAL A 105 -7.425 1.994 -16.715 1.00 0.00 O ATOM 1603 CB VAL A 105 -7.705 4.956 -15.865 1.00 0.00 C ATOM 1604 CG1 VAL A 105 -9.171 5.142 -15.470 1.00 0.00 C ATOM 1605 CG2 VAL A 105 -6.916 6.216 -15.500 1.00 0.00 C ATOM 0 H VAL A 105 -5.353 3.988 -16.222 1.00 0.00 H new ATOM 0 HA VAL A 105 -7.334 3.852 -14.052 1.00 0.00 H new ATOM 0 HB VAL A 105 -7.637 4.782 -16.939 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -9.586 5.997 -16.004 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -9.734 4.245 -15.728 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -9.239 5.316 -14.396 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -7.330 7.072 -16.033 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -6.984 6.390 -14.426 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -5.871 6.085 -15.781 1.00 0.00 H new ATOM 1615 N ASN A 106 -8.700 1.940 -14.862 1.00 0.00 N ATOM 1616 CA ASN A 106 -9.386 0.718 -15.258 1.00 0.00 C ATOM 1617 C ASN A 106 -10.400 1.013 -16.359 1.00 0.00 C ATOM 1618 O ASN A 106 -11.431 1.639 -16.114 1.00 0.00 O ATOM 1619 CB ASN A 106 -10.101 0.106 -14.052 1.00 0.00 C ATOM 1620 CG ASN A 106 -10.445 -1.353 -14.332 1.00 0.00 C ATOM 1621 OD1 ASN A 106 -10.425 -1.795 -15.559 1.00 0.00 O flip ATOM 1622 ND2 ASN A 106 -10.738 -2.111 -13.406 1.00 0.00 N flip ATOM 0 H ASN A 106 -8.997 2.325 -13.966 1.00 0.00 H new ATOM 0 HA ASN A 106 -8.647 0.011 -15.636 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -9.466 0.175 -13.169 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -11.010 0.667 -13.835 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -10.753 -1.763 -12.447 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -10.966 -3.087 -13.598 1.00 0.00 H new ATOM 1629 N LYS A 107 -10.099 0.559 -17.570 1.00 0.00 N ATOM 1630 CA LYS A 107 -10.993 0.781 -18.702 1.00 0.00 C ATOM 1631 C LYS A 107 -12.225 -0.113 -18.598 1.00 0.00 C ATOM 1632 O LYS A 107 -13.197 0.320 -18.001 1.00 0.00 O ATOM 1633 CB LYS A 107 -10.260 0.488 -20.013 1.00 0.00 C ATOM 1634 CG LYS A 107 -10.874 1.320 -21.140 1.00 0.00 C ATOM 1635 CD LYS A 107 -10.028 1.169 -22.407 1.00 0.00 C ATOM 1636 CE LYS A 107 -10.075 -0.284 -22.882 1.00 0.00 C ATOM 1637 NZ LYS A 107 -9.784 -0.340 -24.343 1.00 0.00 N ATOM 1638 OXT LYS A 107 -12.178 -1.215 -19.117 1.00 0.00 O ATOM 0 H LYS A 107 -9.250 0.039 -17.793 1.00 0.00 H new ATOM 0 HA LYS A 107 -11.312 1.823 -18.688 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -9.201 0.723 -19.910 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -10.330 -0.573 -20.251 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -11.896 0.994 -21.332 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -10.924 2.369 -20.846 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -10.403 1.830 -23.188 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -8.998 1.464 -22.207 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -9.347 -0.881 -22.332 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -11.057 -0.712 -22.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -9.816 -1.328 -24.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -10.494 0.216 -24.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -8.838 0.053 -24.524 1.00 0.00 H new TER 1652 LYS A 107