USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 832 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 31 GLN : amide:sc= -0.0151 K(o=-2.3,f=-3.5) USER MOD Set 1.2: A 36 LYS NZ :NH3+ 143:sc= 0.0159 (180deg=-0.171) USER MOD Set 1.3: A 109 SER OG : rot 108:sc= -2.27! USER MOD Set 2.1: A 1 SER OG : rot 180:sc= -0.338 USER MOD Set 2.2: A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 SER N :NH3+ -115:sc= 0.0892 (180deg=0) USER MOD Single : A 2 MET CE :methyl 144:sc= -10.1! (180deg=-12!) USER MOD Single : A 7 SER OG : rot -138:sc= -4.75! USER MOD Single : A 12 LYS NZ :NH3+ 167:sc= -0.0545 (180deg=-0.312) USER MOD Single : A 13 LYS NZ :NH3+ 149:sc= -0.034 (180deg=-0.592) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HE2:sc= -5.47! C(o=-5.5!,f=-9!) USER MOD Single : A 27 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.124) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -158:sc=-0.00555 (180deg=-0.869) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -155:sc= -0.073 (180deg=-0.4) USER MOD Single : A 45 LYS NZ :NH3+ -132:sc= -0.0731 (180deg=-0.465) USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 52 LYS NZ :NH3+ -179:sc= 0.724 (180deg=0.646) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot -5:sc= 0.728 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot -1:sc= 0.0454 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0196) USER MOD Single : A 82 THR OG1 : rot 67:sc= 1.08 USER MOD Single : A 83 LYS NZ :NH3+ 155:sc= -0.0208 (180deg=-0.416) USER MOD Single : A 84 THR OG1 : rot 69:sc= 1.02 USER MOD Single : A 86 MET CE :methyl 150:sc= -16.9! (180deg=-23!) USER MOD Single : A 91 LYS NZ :NH3+ 163:sc= -0.0378 (180deg=-0.304) USER MOD Single : A 96 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.765) USER MOD Single : A 103 SER OG : rot 180:sc= -0.325 USER MOD Single : A 104 THR OG1 : rot 180:sc= -0.254 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 4.744 -10.106 9.493 1.00 0.00 N ATOM 2 CA SER A 1 5.664 -9.317 8.634 1.00 0.00 C ATOM 3 C SER A 1 5.450 -9.646 7.161 1.00 0.00 C ATOM 4 O SER A 1 4.724 -10.580 6.821 1.00 0.00 O ATOM 5 CB SER A 1 7.118 -9.597 9.020 1.00 0.00 C ATOM 6 OG SER A 1 8.012 -8.859 8.206 1.00 0.00 O ATOM 0 H1 SER A 1 4.082 -9.464 9.974 1.00 0.00 H new ATOM 0 H2 SER A 1 4.209 -10.777 8.905 1.00 0.00 H new ATOM 0 H3 SER A 1 5.295 -10.630 10.202 1.00 0.00 H new ATOM 0 HA SER A 1 5.447 -8.260 8.788 1.00 0.00 H new ATOM 0 HB2 SER A 1 7.276 -9.338 10.067 1.00 0.00 H new ATOM 0 HB3 SER A 1 7.325 -10.662 8.920 1.00 0.00 H new ATOM 0 HG SER A 1 8.934 -9.054 8.473 1.00 0.00 H new ATOM 14 N MET A 2 6.088 -8.870 6.290 1.00 0.00 N ATOM 15 CA MET A 2 5.969 -9.075 4.851 1.00 0.00 C ATOM 16 C MET A 2 7.348 -9.099 4.200 1.00 0.00 C ATOM 17 O MET A 2 7.616 -8.356 3.256 1.00 0.00 O ATOM 18 CB MET A 2 5.109 -7.971 4.233 1.00 0.00 C ATOM 19 CG MET A 2 4.660 -8.262 2.809 1.00 0.00 C ATOM 20 SD MET A 2 3.869 -9.873 2.644 1.00 0.00 S ATOM 21 CE MET A 2 2.938 -9.955 4.172 1.00 0.00 C ATOM 0 H MET A 2 6.693 -8.093 6.556 1.00 0.00 H new ATOM 0 HA MET A 2 5.488 -10.037 4.674 1.00 0.00 H new ATOM 0 HB2 MET A 2 4.228 -7.818 4.857 1.00 0.00 H new ATOM 0 HB3 MET A 2 5.672 -7.038 4.242 1.00 0.00 H new ATOM 0 HG2 MET A 2 3.966 -7.486 2.486 1.00 0.00 H new ATOM 0 HG3 MET A 2 5.522 -8.215 2.144 1.00 0.00 H new ATOM 0 HE1 MET A 2 1.990 -10.462 3.993 1.00 0.00 H new ATOM 0 HE2 MET A 2 3.510 -10.508 4.917 1.00 0.00 H new ATOM 0 HE3 MET A 2 2.747 -8.946 4.536 1.00 0.00 H new ATOM 31 N THR A 3 8.220 -9.964 4.713 1.00 0.00 N ATOM 32 CA THR A 3 9.578 -10.087 4.194 1.00 0.00 C ATOM 33 C THR A 3 9.761 -11.384 3.409 1.00 0.00 C ATOM 34 O THR A 3 10.595 -11.461 2.508 1.00 0.00 O ATOM 35 CB THR A 3 10.615 -10.042 5.331 1.00 0.00 C ATOM 36 OG1 THR A 3 10.304 -11.032 6.318 1.00 0.00 O ATOM 37 CG2 THR A 3 10.649 -8.665 5.979 1.00 0.00 C ATOM 0 H THR A 3 8.009 -10.591 5.489 1.00 0.00 H new ATOM 0 HA THR A 3 9.736 -9.240 3.526 1.00 0.00 H new ATOM 0 HB THR A 3 11.597 -10.250 4.906 1.00 0.00 H new ATOM 0 HG1 THR A 3 10.969 -10.998 7.037 1.00 0.00 H new ATOM 0 HG21 THR A 3 11.389 -8.658 6.779 1.00 0.00 H new ATOM 0 HG22 THR A 3 10.915 -7.918 5.232 1.00 0.00 H new ATOM 0 HG23 THR A 3 9.667 -8.432 6.391 1.00 0.00 H new ATOM 45 N ASP A 4 8.977 -12.400 3.755 1.00 0.00 N ATOM 46 CA ASP A 4 9.061 -13.692 3.081 1.00 0.00 C ATOM 47 C ASP A 4 8.471 -13.614 1.678 1.00 0.00 C ATOM 48 O ASP A 4 8.803 -14.418 0.807 1.00 0.00 O ATOM 49 CB ASP A 4 8.326 -14.762 3.890 1.00 0.00 C ATOM 50 CG ASP A 4 8.787 -14.817 5.333 1.00 0.00 C ATOM 51 OD1 ASP A 4 8.227 -14.072 6.165 1.00 0.00 O ATOM 52 OD2 ASP A 4 9.710 -15.604 5.631 1.00 0.00 O ATOM 0 H ASP A 4 8.278 -12.355 4.496 1.00 0.00 H new ATOM 0 HA ASP A 4 10.114 -13.962 3.001 1.00 0.00 H new ATOM 0 HB2 ASP A 4 7.255 -14.563 3.861 1.00 0.00 H new ATOM 0 HB3 ASP A 4 8.482 -15.735 3.425 1.00 0.00 H new ATOM 57 N LEU A 5 7.591 -12.641 1.468 1.00 0.00 N ATOM 58 CA LEU A 5 6.945 -12.459 0.178 1.00 0.00 C ATOM 59 C LEU A 5 7.492 -11.223 -0.527 1.00 0.00 C ATOM 60 O LEU A 5 8.119 -11.324 -1.582 1.00 0.00 O ATOM 61 CB LEU A 5 5.431 -12.332 0.366 1.00 0.00 C ATOM 62 CG LEU A 5 4.764 -13.483 1.128 1.00 0.00 C ATOM 63 CD1 LEU A 5 5.323 -14.816 0.672 1.00 0.00 C ATOM 64 CD2 LEU A 5 4.934 -13.316 2.633 1.00 0.00 C ATOM 0 H LEU A 5 7.310 -11.965 2.179 1.00 0.00 H new ATOM 0 HA LEU A 5 7.156 -13.330 -0.442 1.00 0.00 H new ATOM 0 HB2 LEU A 5 5.224 -11.401 0.894 1.00 0.00 H new ATOM 0 HB3 LEU A 5 4.966 -12.251 -0.616 1.00 0.00 H new ATOM 0 HG LEU A 5 3.697 -13.461 0.907 1.00 0.00 H new ATOM 0 HD11 LEU A 5 4.838 -15.622 1.223 1.00 0.00 H new ATOM 0 HD12 LEU A 5 5.137 -14.943 -0.394 1.00 0.00 H new ATOM 0 HD13 LEU A 5 6.397 -14.843 0.859 1.00 0.00 H new ATOM 0 HD21 LEU A 5 4.451 -14.146 3.148 1.00 0.00 H new ATOM 0 HD22 LEU A 5 5.996 -13.304 2.880 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.477 -12.378 2.949 1.00 0.00 H new ATOM 76 N LEU A 6 7.249 -10.060 0.063 1.00 0.00 N ATOM 77 CA LEU A 6 7.727 -8.806 -0.501 1.00 0.00 C ATOM 78 C LEU A 6 9.201 -8.610 -0.187 1.00 0.00 C ATOM 79 O LEU A 6 9.662 -8.951 0.903 1.00 0.00 O ATOM 80 CB LEU A 6 6.931 -7.627 0.058 1.00 0.00 C ATOM 81 CG LEU A 6 5.444 -7.629 -0.280 1.00 0.00 C ATOM 82 CD1 LEU A 6 4.772 -6.382 0.262 1.00 0.00 C ATOM 83 CD2 LEU A 6 5.251 -7.734 -1.784 1.00 0.00 C ATOM 0 H LEU A 6 6.724 -9.960 0.932 1.00 0.00 H new ATOM 0 HA LEU A 6 7.591 -8.850 -1.582 1.00 0.00 H new ATOM 0 HB2 LEU A 6 7.041 -7.617 1.142 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.371 -6.702 -0.316 1.00 0.00 H new ATOM 0 HG LEU A 6 4.979 -8.495 0.191 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.712 -6.402 0.011 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.888 -6.348 1.345 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.233 -5.499 -0.180 1.00 0.00 H new ATOM 0 HD21 LEU A 6 4.186 -7.735 -2.015 1.00 0.00 H new ATOM 0 HD22 LEU A 6 5.728 -6.884 -2.272 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.701 -8.659 -2.145 1.00 0.00 H new ATOM 95 N SER A 7 9.940 -8.062 -1.143 1.00 0.00 N ATOM 96 CA SER A 7 11.359 -7.818 -0.947 1.00 0.00 C ATOM 97 C SER A 7 11.577 -7.006 0.328 1.00 0.00 C ATOM 98 O SER A 7 11.239 -5.824 0.390 1.00 0.00 O ATOM 99 CB SER A 7 11.938 -7.080 -2.152 1.00 0.00 C ATOM 100 OG SER A 7 11.040 -6.091 -2.622 1.00 0.00 O ATOM 0 H SER A 7 9.581 -7.780 -2.055 1.00 0.00 H new ATOM 0 HA SER A 7 11.872 -8.774 -0.846 1.00 0.00 H new ATOM 0 HB2 SER A 7 12.885 -6.615 -1.877 1.00 0.00 H new ATOM 0 HB3 SER A 7 12.151 -7.791 -2.950 1.00 0.00 H new ATOM 0 HG SER A 7 11.021 -6.105 -3.602 1.00 0.00 H new ATOM 106 N ALA A 8 12.153 -7.648 1.341 1.00 0.00 N ATOM 107 CA ALA A 8 12.403 -6.998 2.622 1.00 0.00 C ATOM 108 C ALA A 8 13.270 -5.758 2.461 1.00 0.00 C ATOM 109 O ALA A 8 13.013 -4.722 3.074 1.00 0.00 O ATOM 110 CB ALA A 8 13.057 -7.974 3.587 1.00 0.00 C ATOM 0 H ALA A 8 12.456 -8.621 1.298 1.00 0.00 H new ATOM 0 HA ALA A 8 11.442 -6.682 3.028 1.00 0.00 H new ATOM 0 HB1 ALA A 8 13.239 -7.477 4.540 1.00 0.00 H new ATOM 0 HB2 ALA A 8 12.398 -8.828 3.743 1.00 0.00 H new ATOM 0 HB3 ALA A 8 14.004 -8.318 3.171 1.00 0.00 H new ATOM 116 N GLU A 9 14.301 -5.872 1.637 1.00 0.00 N ATOM 117 CA GLU A 9 15.212 -4.765 1.395 1.00 0.00 C ATOM 118 C GLU A 9 14.493 -3.594 0.722 1.00 0.00 C ATOM 119 O GLU A 9 14.575 -2.457 1.185 1.00 0.00 O ATOM 120 CB GLU A 9 16.381 -5.248 0.533 1.00 0.00 C ATOM 121 CG GLU A 9 17.210 -4.127 -0.058 1.00 0.00 C ATOM 122 CD GLU A 9 18.264 -4.622 -1.028 1.00 0.00 C ATOM 123 OE1 GLU A 9 17.949 -4.760 -2.228 1.00 0.00 O ATOM 124 OE2 GLU A 9 19.405 -4.875 -0.586 1.00 0.00 O ATOM 0 H GLU A 9 14.527 -6.724 1.123 1.00 0.00 H new ATOM 0 HA GLU A 9 15.593 -4.408 2.352 1.00 0.00 H new ATOM 0 HB2 GLU A 9 17.027 -5.885 1.137 1.00 0.00 H new ATOM 0 HB3 GLU A 9 15.992 -5.865 -0.277 1.00 0.00 H new ATOM 0 HG2 GLU A 9 16.551 -3.426 -0.571 1.00 0.00 H new ATOM 0 HG3 GLU A 9 17.695 -3.576 0.748 1.00 0.00 H new ATOM 131 N ASP A 10 13.768 -3.888 -0.348 1.00 0.00 N ATOM 132 CA ASP A 10 13.045 -2.865 -1.096 1.00 0.00 C ATOM 133 C ASP A 10 12.180 -2.007 -0.186 1.00 0.00 C ATOM 134 O ASP A 10 12.279 -0.780 -0.183 1.00 0.00 O ATOM 135 CB ASP A 10 12.151 -3.538 -2.123 1.00 0.00 C ATOM 136 CG ASP A 10 12.941 -4.304 -3.167 1.00 0.00 C ATOM 137 OD1 ASP A 10 13.945 -4.947 -2.798 1.00 0.00 O ATOM 138 OD2 ASP A 10 12.558 -4.256 -4.355 1.00 0.00 O ATOM 0 H ASP A 10 13.664 -4.832 -0.721 1.00 0.00 H new ATOM 0 HA ASP A 10 13.780 -2.221 -1.579 1.00 0.00 H new ATOM 0 HB2 ASP A 10 11.469 -4.220 -1.615 1.00 0.00 H new ATOM 0 HB3 ASP A 10 11.538 -2.784 -2.617 1.00 0.00 H new ATOM 143 N ILE A 11 11.331 -2.670 0.583 1.00 0.00 N ATOM 144 CA ILE A 11 10.433 -1.992 1.499 1.00 0.00 C ATOM 145 C ILE A 11 11.206 -1.117 2.471 1.00 0.00 C ATOM 146 O ILE A 11 10.726 -0.066 2.880 1.00 0.00 O ATOM 147 CB ILE A 11 9.595 -3.013 2.287 1.00 0.00 C ATOM 148 CG1 ILE A 11 8.775 -3.893 1.342 1.00 0.00 C ATOM 149 CG2 ILE A 11 8.682 -2.305 3.277 1.00 0.00 C ATOM 150 CD1 ILE A 11 8.472 -5.257 1.915 1.00 0.00 C ATOM 0 H ILE A 11 11.246 -3.686 0.589 1.00 0.00 H new ATOM 0 HA ILE A 11 9.770 -1.361 0.907 1.00 0.00 H new ATOM 0 HB ILE A 11 10.280 -3.654 2.842 1.00 0.00 H new ATOM 0 HG12 ILE A 11 7.838 -3.388 1.107 1.00 0.00 H new ATOM 0 HG13 ILE A 11 9.317 -4.012 0.404 1.00 0.00 H new ATOM 0 HG21 ILE A 11 8.097 -3.044 3.825 1.00 0.00 H new ATOM 0 HG22 ILE A 11 9.284 -1.726 3.978 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.010 -1.637 2.739 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.888 -5.832 1.196 1.00 0.00 H new ATOM 0 HD12 ILE A 11 9.406 -5.779 2.125 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.903 -5.146 2.838 1.00 0.00 H new ATOM 162 N LYS A 12 12.403 -1.552 2.836 1.00 0.00 N ATOM 163 CA LYS A 12 13.221 -0.790 3.765 1.00 0.00 C ATOM 164 C LYS A 12 13.730 0.494 3.115 1.00 0.00 C ATOM 165 O LYS A 12 13.674 1.566 3.716 1.00 0.00 O ATOM 166 CB LYS A 12 14.403 -1.631 4.252 1.00 0.00 C ATOM 167 CG LYS A 12 15.310 -0.889 5.219 1.00 0.00 C ATOM 168 CD LYS A 12 16.521 -1.724 5.601 1.00 0.00 C ATOM 169 CE LYS A 12 17.450 -0.962 6.531 1.00 0.00 C ATOM 170 NZ LYS A 12 16.757 -0.531 7.777 1.00 0.00 N ATOM 0 H LYS A 12 12.825 -2.420 2.506 1.00 0.00 H new ATOM 0 HA LYS A 12 12.599 -0.524 4.620 1.00 0.00 H new ATOM 0 HB2 LYS A 12 14.024 -2.531 4.737 1.00 0.00 H new ATOM 0 HB3 LYS A 12 14.988 -1.955 3.392 1.00 0.00 H new ATOM 0 HG2 LYS A 12 15.640 0.046 4.765 1.00 0.00 H new ATOM 0 HG3 LYS A 12 14.750 -0.627 6.117 1.00 0.00 H new ATOM 0 HD2 LYS A 12 16.192 -2.643 6.086 1.00 0.00 H new ATOM 0 HD3 LYS A 12 17.063 -2.014 4.701 1.00 0.00 H new ATOM 0 HE2 LYS A 12 18.302 -1.591 6.788 1.00 0.00 H new ATOM 0 HE3 LYS A 12 17.844 -0.087 6.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 17.461 -0.215 8.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 16.108 0.252 7.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 16.217 -1.329 8.168 1.00 0.00 H new ATOM 184 N LYS A 13 14.226 0.381 1.884 1.00 0.00 N ATOM 185 CA LYS A 13 14.744 1.542 1.168 1.00 0.00 C ATOM 186 C LYS A 13 13.615 2.446 0.706 1.00 0.00 C ATOM 187 O LYS A 13 13.604 3.640 0.987 1.00 0.00 O ATOM 188 CB LYS A 13 15.529 1.104 -0.067 1.00 0.00 C ATOM 189 CG LYS A 13 16.702 0.191 0.228 1.00 0.00 C ATOM 190 CD LYS A 13 16.685 -1.044 -0.662 1.00 0.00 C ATOM 191 CE LYS A 13 16.500 -0.690 -2.132 1.00 0.00 C ATOM 192 NZ LYS A 13 17.369 0.447 -2.548 1.00 0.00 N ATOM 0 H LYS A 13 14.279 -0.496 1.366 1.00 0.00 H new ATOM 0 HA LYS A 13 15.392 2.082 1.858 1.00 0.00 H new ATOM 0 HB2 LYS A 13 14.851 0.595 -0.752 1.00 0.00 H new ATOM 0 HB3 LYS A 13 15.896 1.991 -0.583 1.00 0.00 H new ATOM 0 HG2 LYS A 13 17.635 0.735 0.079 1.00 0.00 H new ATOM 0 HG3 LYS A 13 16.674 -0.113 1.274 1.00 0.00 H new ATOM 0 HD2 LYS A 13 17.618 -1.593 -0.537 1.00 0.00 H new ATOM 0 HD3 LYS A 13 15.880 -1.707 -0.345 1.00 0.00 H new ATOM 0 HE2 LYS A 13 16.726 -1.562 -2.746 1.00 0.00 H new ATOM 0 HE3 LYS A 13 15.456 -0.434 -2.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 17.628 0.337 -3.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 16.855 1.342 -2.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 18.231 0.456 -1.966 1.00 0.00 H new ATOM 206 N ALA A 14 12.652 1.854 0.020 1.00 0.00 N ATOM 207 CA ALA A 14 11.522 2.597 -0.511 1.00 0.00 C ATOM 208 C ALA A 14 10.787 3.364 0.580 1.00 0.00 C ATOM 209 O ALA A 14 10.344 4.492 0.366 1.00 0.00 O ATOM 210 CB ALA A 14 10.574 1.653 -1.232 1.00 0.00 C ATOM 0 H ALA A 14 12.631 0.855 -0.183 1.00 0.00 H new ATOM 0 HA ALA A 14 11.906 3.331 -1.220 1.00 0.00 H new ATOM 0 HB1 ALA A 14 9.729 2.217 -1.627 1.00 0.00 H new ATOM 0 HB2 ALA A 14 11.100 1.165 -2.052 1.00 0.00 H new ATOM 0 HB3 ALA A 14 10.211 0.898 -0.534 1.00 0.00 H new ATOM 216 N ILE A 15 10.658 2.750 1.745 1.00 0.00 N ATOM 217 CA ILE A 15 9.959 3.374 2.855 1.00 0.00 C ATOM 218 C ILE A 15 10.776 4.494 3.509 1.00 0.00 C ATOM 219 O ILE A 15 10.292 5.613 3.670 1.00 0.00 O ATOM 220 CB ILE A 15 9.522 2.324 3.884 1.00 0.00 C ATOM 221 CG1 ILE A 15 8.389 1.555 3.236 1.00 0.00 C ATOM 222 CG2 ILE A 15 9.073 2.951 5.205 1.00 0.00 C ATOM 223 CD1 ILE A 15 7.625 0.661 4.171 1.00 0.00 C ATOM 0 H ILE A 15 11.028 1.821 1.946 1.00 0.00 H new ATOM 0 HA ILE A 15 9.065 3.844 2.446 1.00 0.00 H new ATOM 0 HB ILE A 15 10.358 1.675 4.144 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.696 2.266 2.786 1.00 0.00 H new ATOM 0 HG13 ILE A 15 8.795 0.949 2.426 1.00 0.00 H new ATOM 0 HG21 ILE A 15 8.774 2.165 5.898 1.00 0.00 H new ATOM 0 HG22 ILE A 15 9.896 3.521 5.636 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.228 3.615 5.024 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.834 0.151 3.621 1.00 0.00 H new ATOM 0 HD12 ILE A 15 8.301 -0.077 4.603 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.185 1.260 4.968 1.00 0.00 H new ATOM 235 N GLY A 16 12.021 4.192 3.864 1.00 0.00 N ATOM 236 CA GLY A 16 12.863 5.175 4.528 1.00 0.00 C ATOM 237 C GLY A 16 13.633 6.091 3.589 1.00 0.00 C ATOM 238 O GLY A 16 14.302 7.018 4.048 1.00 0.00 O ATOM 0 H GLY A 16 12.463 3.286 3.705 1.00 0.00 H new ATOM 0 HA2 GLY A 16 12.239 5.787 5.180 1.00 0.00 H new ATOM 0 HA3 GLY A 16 13.574 4.652 5.167 1.00 0.00 H new ATOM 242 N ALA A 17 13.550 5.854 2.284 1.00 0.00 N ATOM 243 CA ALA A 17 14.272 6.689 1.325 1.00 0.00 C ATOM 244 C ALA A 17 13.425 7.859 0.835 1.00 0.00 C ATOM 245 O ALA A 17 13.960 8.879 0.401 1.00 0.00 O ATOM 246 CB ALA A 17 14.753 5.862 0.142 1.00 0.00 C ATOM 0 H ALA A 17 12.999 5.103 1.868 1.00 0.00 H new ATOM 0 HA ALA A 17 15.136 7.099 1.847 1.00 0.00 H new ATOM 0 HB1 ALA A 17 15.287 6.505 -0.558 1.00 0.00 H new ATOM 0 HB2 ALA A 17 15.421 5.076 0.495 1.00 0.00 H new ATOM 0 HB3 ALA A 17 13.896 5.412 -0.360 1.00 0.00 H new ATOM 252 N PHE A 18 12.106 7.714 0.902 1.00 0.00 N ATOM 253 CA PHE A 18 11.211 8.773 0.445 1.00 0.00 C ATOM 254 C PHE A 18 10.409 9.370 1.594 1.00 0.00 C ATOM 255 O PHE A 18 9.475 8.750 2.098 1.00 0.00 O ATOM 256 CB PHE A 18 10.238 8.250 -0.612 1.00 0.00 C ATOM 257 CG PHE A 18 10.758 7.108 -1.434 1.00 0.00 C ATOM 258 CD1 PHE A 18 12.068 7.089 -1.882 1.00 0.00 C ATOM 259 CD2 PHE A 18 9.924 6.053 -1.763 1.00 0.00 C ATOM 260 CE1 PHE A 18 12.538 6.037 -2.645 1.00 0.00 C ATOM 261 CE2 PHE A 18 10.385 5.001 -2.523 1.00 0.00 C ATOM 262 CZ PHE A 18 11.694 4.990 -2.966 1.00 0.00 C ATOM 0 H PHE A 18 11.636 6.884 1.264 1.00 0.00 H new ATOM 0 HA PHE A 18 11.843 9.549 0.013 1.00 0.00 H new ATOM 0 HB2 PHE A 18 9.320 7.934 -0.116 1.00 0.00 H new ATOM 0 HB3 PHE A 18 9.974 9.070 -1.280 1.00 0.00 H new ATOM 0 HD1 PHE A 18 12.730 7.905 -1.632 1.00 0.00 H new ATOM 0 HD2 PHE A 18 8.900 6.055 -1.420 1.00 0.00 H new ATOM 0 HE1 PHE A 18 13.562 6.033 -2.990 1.00 0.00 H new ATOM 0 HE2 PHE A 18 9.724 4.185 -2.773 1.00 0.00 H new ATOM 0 HZ PHE A 18 12.057 4.165 -3.562 1.00 0.00 H new ATOM 272 N THR A 19 10.785 10.574 2.015 1.00 0.00 N ATOM 273 CA THR A 19 10.071 11.259 3.085 1.00 0.00 C ATOM 274 C THR A 19 8.974 12.153 2.510 1.00 0.00 C ATOM 275 O THR A 19 7.840 12.142 2.983 1.00 0.00 O ATOM 276 CB THR A 19 11.022 12.108 3.954 1.00 0.00 C ATOM 277 OG1 THR A 19 10.300 12.682 5.051 1.00 0.00 O ATOM 278 CG2 THR A 19 11.671 13.217 3.137 1.00 0.00 C ATOM 0 H THR A 19 11.576 11.092 1.633 1.00 0.00 H new ATOM 0 HA THR A 19 9.623 10.491 3.716 1.00 0.00 H new ATOM 0 HB THR A 19 11.807 11.453 4.332 1.00 0.00 H new ATOM 0 HG1 THR A 19 10.910 13.218 5.599 1.00 0.00 H new ATOM 0 HG21 THR A 19 12.336 13.798 3.776 1.00 0.00 H new ATOM 0 HG22 THR A 19 12.245 12.779 2.320 1.00 0.00 H new ATOM 0 HG23 THR A 19 10.898 13.868 2.729 1.00 0.00 H new ATOM 286 N ALA A 20 9.342 12.938 1.497 1.00 0.00 N ATOM 287 CA ALA A 20 8.427 13.850 0.823 1.00 0.00 C ATOM 288 C ALA A 20 7.902 13.253 -0.484 1.00 0.00 C ATOM 289 O ALA A 20 6.710 13.323 -0.780 1.00 0.00 O ATOM 290 CB ALA A 20 9.119 15.177 0.553 1.00 0.00 C ATOM 0 H ALA A 20 10.290 12.957 1.121 1.00 0.00 H new ATOM 0 HA ALA A 20 7.573 14.016 1.480 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.427 15.852 0.049 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.436 15.621 1.497 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.990 15.011 -0.081 1.00 0.00 H new ATOM 296 N ALA A 21 8.810 12.678 -1.275 1.00 0.00 N ATOM 297 CA ALA A 21 8.441 12.080 -2.558 1.00 0.00 C ATOM 298 C ALA A 21 7.234 11.165 -2.412 1.00 0.00 C ATOM 299 O ALA A 21 6.163 11.442 -2.950 1.00 0.00 O ATOM 300 CB ALA A 21 9.620 11.324 -3.151 1.00 0.00 C ATOM 0 H ALA A 21 9.803 12.614 -1.050 1.00 0.00 H new ATOM 0 HA ALA A 21 8.167 12.886 -3.239 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.328 10.885 -4.105 1.00 0.00 H new ATOM 0 HB2 ALA A 21 10.452 12.011 -3.307 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.926 10.533 -2.467 1.00 0.00 H new ATOM 306 N ASP A 22 7.413 10.077 -1.680 1.00 0.00 N ATOM 307 CA ASP A 22 6.326 9.137 -1.447 1.00 0.00 C ATOM 308 C ASP A 22 5.179 9.859 -0.758 1.00 0.00 C ATOM 309 O ASP A 22 4.012 9.498 -0.912 1.00 0.00 O ATOM 310 CB ASP A 22 6.800 7.963 -0.588 1.00 0.00 C ATOM 311 CG ASP A 22 7.146 8.387 0.826 1.00 0.00 C ATOM 312 OD1 ASP A 22 7.471 9.576 1.027 1.00 0.00 O ATOM 313 OD2 ASP A 22 7.092 7.530 1.733 1.00 0.00 O ATOM 0 H ASP A 22 8.297 9.823 -1.238 1.00 0.00 H new ATOM 0 HA ASP A 22 5.988 8.741 -2.405 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.021 7.201 -0.556 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.674 7.506 -1.052 1.00 0.00 H new ATOM 318 N SER A 23 5.533 10.887 0.008 1.00 0.00 N ATOM 319 CA SER A 23 4.561 11.692 0.718 1.00 0.00 C ATOM 320 C SER A 23 3.512 12.228 -0.253 1.00 0.00 C ATOM 321 O SER A 23 2.381 12.519 0.133 1.00 0.00 O ATOM 322 CB SER A 23 5.278 12.851 1.407 1.00 0.00 C ATOM 323 OG SER A 23 4.693 13.146 2.662 1.00 0.00 O ATOM 0 H SER A 23 6.500 11.180 0.150 1.00 0.00 H new ATOM 0 HA SER A 23 4.059 11.078 1.466 1.00 0.00 H new ATOM 0 HB2 SER A 23 6.330 12.601 1.544 1.00 0.00 H new ATOM 0 HB3 SER A 23 5.241 13.734 0.770 1.00 0.00 H new ATOM 0 HG SER A 23 5.174 13.891 3.080 1.00 0.00 H new ATOM 329 N PHE A 24 3.907 12.353 -1.520 1.00 0.00 N ATOM 330 CA PHE A 24 3.019 12.853 -2.562 1.00 0.00 C ATOM 331 C PHE A 24 2.300 11.708 -3.269 1.00 0.00 C ATOM 332 O PHE A 24 1.073 11.705 -3.373 1.00 0.00 O ATOM 333 CB PHE A 24 3.819 13.673 -3.577 1.00 0.00 C ATOM 334 CG PHE A 24 3.017 14.117 -4.765 1.00 0.00 C ATOM 335 CD1 PHE A 24 2.890 13.298 -5.875 1.00 0.00 C ATOM 336 CD2 PHE A 24 2.391 15.353 -4.773 1.00 0.00 C ATOM 337 CE1 PHE A 24 2.152 13.703 -6.971 1.00 0.00 C ATOM 338 CE2 PHE A 24 1.652 15.763 -5.867 1.00 0.00 C ATOM 339 CZ PHE A 24 1.533 14.937 -6.968 1.00 0.00 C ATOM 0 H PHE A 24 4.842 12.112 -1.848 1.00 0.00 H new ATOM 0 HA PHE A 24 2.267 13.488 -2.093 1.00 0.00 H new ATOM 0 HB2 PHE A 24 4.228 14.551 -3.078 1.00 0.00 H new ATOM 0 HB3 PHE A 24 4.665 13.080 -3.923 1.00 0.00 H new ATOM 0 HD1 PHE A 24 3.373 12.332 -5.884 1.00 0.00 H new ATOM 0 HD2 PHE A 24 2.481 16.003 -3.915 1.00 0.00 H new ATOM 0 HE1 PHE A 24 2.060 13.054 -7.830 1.00 0.00 H new ATOM 0 HE2 PHE A 24 1.168 16.728 -5.861 1.00 0.00 H new ATOM 0 HZ PHE A 24 0.957 15.256 -7.824 1.00 0.00 H new ATOM 349 N ASP A 25 3.067 10.734 -3.752 1.00 0.00 N ATOM 350 CA ASP A 25 2.491 9.589 -4.452 1.00 0.00 C ATOM 351 C ASP A 25 3.278 8.315 -4.166 1.00 0.00 C ATOM 352 O ASP A 25 4.389 8.137 -4.665 1.00 0.00 O ATOM 353 CB ASP A 25 2.469 9.847 -5.959 1.00 0.00 C ATOM 354 CG ASP A 25 1.542 8.898 -6.693 1.00 0.00 C ATOM 355 OD1 ASP A 25 1.365 7.757 -6.217 1.00 0.00 O ATOM 356 OD2 ASP A 25 0.993 9.295 -7.741 1.00 0.00 O ATOM 0 H ASP A 25 4.084 10.714 -3.672 1.00 0.00 H new ATOM 0 HA ASP A 25 1.472 9.456 -4.090 1.00 0.00 H new ATOM 0 HB2 ASP A 25 2.155 10.874 -6.145 1.00 0.00 H new ATOM 0 HB3 ASP A 25 3.479 9.745 -6.357 1.00 0.00 H new ATOM 361 N HIS A 26 2.698 7.429 -3.361 1.00 0.00 N ATOM 362 CA HIS A 26 3.352 6.169 -3.022 1.00 0.00 C ATOM 363 C HIS A 26 3.395 5.222 -4.219 1.00 0.00 C ATOM 364 O HIS A 26 4.073 4.202 -4.170 1.00 0.00 O ATOM 365 CB HIS A 26 2.653 5.495 -1.838 1.00 0.00 C ATOM 366 CG HIS A 26 3.260 5.837 -0.515 1.00 0.00 C ATOM 367 ND1 HIS A 26 3.455 7.133 -0.089 1.00 0.00 N ATOM 368 CD2 HIS A 26 3.718 5.043 0.484 1.00 0.00 C ATOM 369 CE1 HIS A 26 4.008 7.124 1.110 1.00 0.00 C ATOM 370 NE2 HIS A 26 4.178 5.869 1.480 1.00 0.00 N ATOM 0 H HIS A 26 1.781 7.559 -2.933 1.00 0.00 H new ATOM 0 HA HIS A 26 4.379 6.400 -2.737 1.00 0.00 H new ATOM 0 HB2 HIS A 26 1.602 5.785 -1.833 1.00 0.00 H new ATOM 0 HB3 HIS A 26 2.684 4.414 -1.975 1.00 0.00 H new ATOM 0 HD1 HIS A 26 3.210 7.970 -0.618 1.00 0.00 H new ATOM 0 HD2 HIS A 26 3.721 3.963 0.495 1.00 0.00 H new ATOM 0 HE1 HIS A 26 4.276 7.995 1.689 1.00 0.00 H new ATOM 379 N LYS A 27 2.667 5.547 -5.293 1.00 0.00 N ATOM 380 CA LYS A 27 2.663 4.716 -6.486 1.00 0.00 C ATOM 381 C LYS A 27 4.086 4.355 -6.886 1.00 0.00 C ATOM 382 O LYS A 27 4.423 3.183 -7.039 1.00 0.00 O ATOM 383 CB LYS A 27 1.970 5.440 -7.635 1.00 0.00 C ATOM 384 CG LYS A 27 0.459 5.473 -7.521 1.00 0.00 C ATOM 385 CD LYS A 27 -0.175 4.702 -8.658 1.00 0.00 C ATOM 386 CE LYS A 27 0.045 5.394 -9.994 1.00 0.00 C ATOM 387 NZ LYS A 27 -0.757 4.771 -11.084 1.00 0.00 N ATOM 0 H LYS A 27 2.078 6.377 -5.354 1.00 0.00 H new ATOM 0 HA LYS A 27 2.116 3.800 -6.264 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.343 6.463 -7.684 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.243 4.956 -8.573 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.151 5.045 -6.567 1.00 0.00 H new ATOM 0 HG3 LYS A 27 0.110 6.505 -7.535 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.244 3.696 -8.695 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.244 4.595 -8.474 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.221 6.447 -9.905 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.103 5.353 -10.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.824 5.430 -11.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.296 3.893 -11.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.712 4.555 -10.732 1.00 0.00 H new ATOM 401 N LYS A 28 4.922 5.375 -7.036 1.00 0.00 N ATOM 402 CA LYS A 28 6.315 5.163 -7.389 1.00 0.00 C ATOM 403 C LYS A 28 6.956 4.298 -6.322 1.00 0.00 C ATOM 404 O LYS A 28 7.696 3.359 -6.619 1.00 0.00 O ATOM 405 CB LYS A 28 7.038 6.505 -7.485 1.00 0.00 C ATOM 406 CG LYS A 28 8.523 6.382 -7.786 1.00 0.00 C ATOM 407 CD LYS A 28 8.805 6.511 -9.275 1.00 0.00 C ATOM 408 CE LYS A 28 8.008 5.501 -10.084 1.00 0.00 C ATOM 409 NZ LYS A 28 8.265 5.635 -11.545 1.00 0.00 N ATOM 0 H LYS A 28 4.658 6.353 -6.919 1.00 0.00 H new ATOM 0 HA LYS A 28 6.384 4.666 -8.357 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.568 7.106 -8.264 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.911 7.044 -6.546 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.070 7.153 -7.243 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.889 5.420 -7.428 1.00 0.00 H new ATOM 0 HD2 LYS A 28 8.559 7.520 -9.607 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.870 6.366 -9.458 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.265 4.492 -9.761 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.944 5.637 -9.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.703 4.929 -12.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.996 6.589 -11.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.276 5.480 -11.735 1.00 0.00 H new ATOM 423 N PHE A 29 6.658 4.629 -5.074 1.00 0.00 N ATOM 424 CA PHE A 29 7.157 3.868 -3.943 1.00 0.00 C ATOM 425 C PHE A 29 6.710 2.414 -4.077 1.00 0.00 C ATOM 426 O PHE A 29 7.427 1.495 -3.691 1.00 0.00 O ATOM 427 CB PHE A 29 6.647 4.489 -2.630 1.00 0.00 C ATOM 428 CG PHE A 29 6.641 3.553 -1.452 1.00 0.00 C ATOM 429 CD1 PHE A 29 7.824 3.184 -0.832 1.00 0.00 C ATOM 430 CD2 PHE A 29 5.448 3.037 -0.971 1.00 0.00 C ATOM 431 CE1 PHE A 29 7.817 2.319 0.245 1.00 0.00 C ATOM 432 CE2 PHE A 29 5.436 2.171 0.105 1.00 0.00 C ATOM 433 CZ PHE A 29 6.620 1.812 0.713 1.00 0.00 C ATOM 0 H PHE A 29 6.070 5.423 -4.821 1.00 0.00 H new ATOM 0 HA PHE A 29 8.247 3.896 -3.927 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.267 5.352 -2.388 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.634 4.858 -2.788 1.00 0.00 H new ATOM 0 HD1 PHE A 29 8.762 3.577 -1.195 1.00 0.00 H new ATOM 0 HD2 PHE A 29 4.517 3.315 -1.443 1.00 0.00 H new ATOM 0 HE1 PHE A 29 8.746 2.040 0.720 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.500 1.775 0.470 1.00 0.00 H new ATOM 0 HZ PHE A 29 6.612 1.135 1.554 1.00 0.00 H new ATOM 443 N PHE A 30 5.516 2.223 -4.628 1.00 0.00 N ATOM 444 CA PHE A 30 4.972 0.890 -4.837 1.00 0.00 C ATOM 445 C PHE A 30 5.938 0.058 -5.666 1.00 0.00 C ATOM 446 O PHE A 30 5.988 -1.166 -5.547 1.00 0.00 O ATOM 447 CB PHE A 30 3.622 0.976 -5.548 1.00 0.00 C ATOM 448 CG PHE A 30 2.542 0.162 -4.889 1.00 0.00 C ATOM 449 CD1 PHE A 30 2.472 -1.210 -5.079 1.00 0.00 C ATOM 450 CD2 PHE A 30 1.597 0.770 -4.079 1.00 0.00 C ATOM 451 CE1 PHE A 30 1.480 -1.957 -4.473 1.00 0.00 C ATOM 452 CE2 PHE A 30 0.602 0.027 -3.470 1.00 0.00 C ATOM 453 CZ PHE A 30 0.544 -1.339 -3.669 1.00 0.00 C ATOM 0 H PHE A 30 4.906 2.979 -4.938 1.00 0.00 H new ATOM 0 HA PHE A 30 4.831 0.414 -3.867 1.00 0.00 H new ATOM 0 HB2 PHE A 30 3.307 2.019 -5.587 1.00 0.00 H new ATOM 0 HB3 PHE A 30 3.741 0.640 -6.578 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.201 -1.700 -5.708 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.638 1.838 -3.921 1.00 0.00 H new ATOM 0 HE1 PHE A 30 1.437 -3.025 -4.629 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.128 0.514 -2.840 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.232 -1.922 -3.196 1.00 0.00 H new ATOM 463 N GLN A 31 6.703 0.738 -6.510 1.00 0.00 N ATOM 464 CA GLN A 31 7.677 0.076 -7.361 1.00 0.00 C ATOM 465 C GLN A 31 8.989 -0.151 -6.610 1.00 0.00 C ATOM 466 O GLN A 31 9.585 -1.225 -6.694 1.00 0.00 O ATOM 467 CB GLN A 31 7.920 0.911 -8.621 1.00 0.00 C ATOM 468 CG GLN A 31 6.644 1.416 -9.272 1.00 0.00 C ATOM 469 CD GLN A 31 6.900 2.151 -10.573 1.00 0.00 C ATOM 470 OE1 GLN A 31 7.867 1.867 -11.280 1.00 0.00 O ATOM 471 NE2 GLN A 31 6.029 3.100 -10.898 1.00 0.00 N ATOM 0 H GLN A 31 6.666 1.751 -6.622 1.00 0.00 H new ATOM 0 HA GLN A 31 7.281 -0.897 -7.651 1.00 0.00 H new ATOM 0 HB2 GLN A 31 8.550 1.763 -8.366 1.00 0.00 H new ATOM 0 HB3 GLN A 31 8.473 0.311 -9.343 1.00 0.00 H new ATOM 0 HG2 GLN A 31 5.980 0.573 -9.461 1.00 0.00 H new ATOM 0 HG3 GLN A 31 6.127 2.081 -8.580 1.00 0.00 H new ATOM 0 HE21 GLN A 31 5.242 3.302 -10.282 1.00 0.00 H new ATOM 0 HE22 GLN A 31 6.148 3.626 -11.764 1.00 0.00 H new ATOM 480 N MET A 32 9.429 0.870 -5.880 1.00 0.00 N ATOM 481 CA MET A 32 10.670 0.793 -5.114 1.00 0.00 C ATOM 482 C MET A 32 10.520 -0.119 -3.901 1.00 0.00 C ATOM 483 O MET A 32 11.469 -0.785 -3.490 1.00 0.00 O ATOM 484 CB MET A 32 11.093 2.185 -4.668 1.00 0.00 C ATOM 485 CG MET A 32 11.191 3.166 -5.816 1.00 0.00 C ATOM 486 SD MET A 32 12.195 2.543 -7.177 1.00 0.00 S ATOM 487 CE MET A 32 12.014 3.868 -8.368 1.00 0.00 C ATOM 0 H MET A 32 8.943 1.763 -5.803 1.00 0.00 H new ATOM 0 HA MET A 32 11.438 0.369 -5.761 1.00 0.00 H new ATOM 0 HB2 MET A 32 10.377 2.560 -3.936 1.00 0.00 H new ATOM 0 HB3 MET A 32 12.059 2.123 -4.166 1.00 0.00 H new ATOM 0 HG2 MET A 32 10.190 3.392 -6.182 1.00 0.00 H new ATOM 0 HG3 MET A 32 11.617 4.102 -5.454 1.00 0.00 H new ATOM 0 HE1 MET A 32 12.580 3.628 -9.268 1.00 0.00 H new ATOM 0 HE2 MET A 32 10.961 3.987 -8.623 1.00 0.00 H new ATOM 0 HE3 MET A 32 12.390 4.797 -7.939 1.00 0.00 H new ATOM 497 N VAL A 33 9.321 -0.142 -3.335 1.00 0.00 N ATOM 498 CA VAL A 33 9.039 -0.964 -2.164 1.00 0.00 C ATOM 499 C VAL A 33 9.129 -2.446 -2.502 1.00 0.00 C ATOM 500 O VAL A 33 9.398 -3.281 -1.639 1.00 0.00 O ATOM 501 CB VAL A 33 7.639 -0.660 -1.597 1.00 0.00 C ATOM 502 CG1 VAL A 33 6.575 -0.933 -2.638 1.00 0.00 C ATOM 503 CG2 VAL A 33 7.364 -1.481 -0.358 1.00 0.00 C ATOM 0 H VAL A 33 8.525 0.401 -3.669 1.00 0.00 H new ATOM 0 HA VAL A 33 9.790 -0.721 -1.412 1.00 0.00 H new ATOM 0 HB VAL A 33 7.612 0.395 -1.326 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.592 -0.713 -2.220 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.748 -0.302 -3.510 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.617 -1.981 -2.935 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.369 -1.246 0.021 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.417 -2.541 -0.605 1.00 0.00 H new ATOM 0 HG23 VAL A 33 8.107 -1.248 0.405 1.00 0.00 H new ATOM 513 N GLY A 34 8.917 -2.761 -3.769 1.00 0.00 N ATOM 514 CA GLY A 34 8.987 -4.139 -4.214 1.00 0.00 C ATOM 515 C GLY A 34 7.648 -4.848 -4.160 1.00 0.00 C ATOM 516 O GLY A 34 7.594 -6.079 -4.122 1.00 0.00 O ATOM 0 H GLY A 34 8.697 -2.086 -4.501 1.00 0.00 H new ATOM 0 HA2 GLY A 34 9.365 -4.166 -5.236 1.00 0.00 H new ATOM 0 HA3 GLY A 34 9.703 -4.679 -3.595 1.00 0.00 H new ATOM 520 N LEU A 35 6.562 -4.082 -4.163 1.00 0.00 N ATOM 521 CA LEU A 35 5.224 -4.661 -4.122 1.00 0.00 C ATOM 522 C LEU A 35 4.906 -5.319 -5.452 1.00 0.00 C ATOM 523 O LEU A 35 4.139 -6.280 -5.516 1.00 0.00 O ATOM 524 CB LEU A 35 4.179 -3.595 -3.791 1.00 0.00 C ATOM 525 CG LEU A 35 3.991 -3.323 -2.301 1.00 0.00 C ATOM 526 CD1 LEU A 35 3.694 -1.851 -2.062 1.00 0.00 C ATOM 527 CD2 LEU A 35 2.870 -4.183 -1.754 1.00 0.00 C ATOM 0 H LEU A 35 6.582 -3.063 -4.193 1.00 0.00 H new ATOM 0 HA LEU A 35 5.196 -5.416 -3.336 1.00 0.00 H new ATOM 0 HB2 LEU A 35 4.462 -2.664 -4.283 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.222 -3.901 -4.214 1.00 0.00 H new ATOM 0 HG LEU A 35 4.915 -3.576 -1.780 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.563 -1.675 -0.994 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.524 -1.248 -2.430 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.782 -1.573 -2.590 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.743 -3.982 -0.690 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.944 -3.951 -2.280 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.115 -5.235 -1.898 1.00 0.00 H new ATOM 539 N LYS A 36 5.503 -4.795 -6.515 1.00 0.00 N ATOM 540 CA LYS A 36 5.302 -5.330 -7.837 1.00 0.00 C ATOM 541 C LYS A 36 6.224 -6.527 -8.073 1.00 0.00 C ATOM 542 O LYS A 36 5.948 -7.380 -8.916 1.00 0.00 O ATOM 543 CB LYS A 36 5.571 -4.242 -8.859 1.00 0.00 C ATOM 544 CG LYS A 36 5.022 -2.899 -8.465 1.00 0.00 C ATOM 545 CD LYS A 36 4.993 -1.990 -9.669 1.00 0.00 C ATOM 546 CE LYS A 36 6.385 -1.718 -10.199 1.00 0.00 C ATOM 547 NZ LYS A 36 6.358 -1.001 -11.504 1.00 0.00 N ATOM 0 H LYS A 36 6.133 -3.994 -6.476 1.00 0.00 H new ATOM 0 HA LYS A 36 4.272 -5.673 -7.938 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.647 -4.155 -9.011 1.00 0.00 H new ATOM 0 HB3 LYS A 36 5.137 -4.537 -9.814 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.017 -3.011 -8.057 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.637 -2.460 -7.680 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.387 -2.444 -10.453 1.00 0.00 H new ATOM 0 HD3 LYS A 36 4.515 -1.048 -9.402 1.00 0.00 H new ATOM 0 HE2 LYS A 36 6.940 -1.125 -9.472 1.00 0.00 H new ATOM 0 HE3 LYS A 36 6.919 -2.661 -10.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 7.142 -0.318 -11.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 6.459 -1.687 -12.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 5.454 -0.496 -11.604 1.00 0.00 H new ATOM 561 N LYS A 37 7.323 -6.582 -7.314 1.00 0.00 N ATOM 562 CA LYS A 37 8.290 -7.670 -7.433 1.00 0.00 C ATOM 563 C LYS A 37 7.583 -9.019 -7.378 1.00 0.00 C ATOM 564 O LYS A 37 8.032 -9.995 -7.982 1.00 0.00 O ATOM 565 CB LYS A 37 9.343 -7.573 -6.321 1.00 0.00 C ATOM 566 CG LYS A 37 10.603 -8.376 -6.600 1.00 0.00 C ATOM 567 CD LYS A 37 10.493 -9.800 -6.078 1.00 0.00 C ATOM 568 CE LYS A 37 10.408 -9.829 -4.560 1.00 0.00 C ATOM 569 NZ LYS A 37 10.519 -11.216 -4.028 1.00 0.00 N ATOM 0 H LYS A 37 7.562 -5.883 -6.611 1.00 0.00 H new ATOM 0 HA LYS A 37 8.793 -7.582 -8.396 1.00 0.00 H new ATOM 0 HB2 LYS A 37 9.614 -6.527 -6.180 1.00 0.00 H new ATOM 0 HB3 LYS A 37 8.903 -7.918 -5.385 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.791 -8.396 -7.674 1.00 0.00 H new ATOM 0 HG3 LYS A 37 11.458 -7.884 -6.136 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.610 -10.278 -6.503 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.357 -10.377 -6.407 1.00 0.00 H new ATOM 0 HE2 LYS A 37 11.203 -9.213 -4.139 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.462 -9.391 -4.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.098 -11.258 -3.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.015 -11.871 -4.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.521 -11.488 -3.975 1.00 0.00 H new ATOM 583 N LYS A 38 6.471 -9.063 -6.655 1.00 0.00 N ATOM 584 CA LYS A 38 5.687 -10.284 -6.523 1.00 0.00 C ATOM 585 C LYS A 38 4.318 -10.107 -7.172 1.00 0.00 C ATOM 586 O LYS A 38 4.063 -9.105 -7.839 1.00 0.00 O ATOM 587 CB LYS A 38 5.518 -10.655 -5.048 1.00 0.00 C ATOM 588 CG LYS A 38 6.829 -10.873 -4.309 1.00 0.00 C ATOM 589 CD LYS A 38 7.279 -12.324 -4.383 1.00 0.00 C ATOM 590 CE LYS A 38 7.618 -12.732 -5.807 1.00 0.00 C ATOM 591 NZ LYS A 38 8.346 -14.030 -5.855 1.00 0.00 N ATOM 0 H LYS A 38 6.091 -8.263 -6.149 1.00 0.00 H new ATOM 0 HA LYS A 38 6.219 -11.089 -7.030 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.958 -9.865 -4.547 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.919 -11.563 -4.979 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.599 -10.230 -4.736 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.712 -10.580 -3.266 1.00 0.00 H new ATOM 0 HD2 LYS A 38 8.151 -12.468 -3.745 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.491 -12.970 -3.996 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.701 -12.809 -6.391 1.00 0.00 H new ATOM 0 HE3 LYS A 38 8.227 -11.957 -6.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 8.559 -14.272 -6.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.234 -13.950 -5.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.755 -14.775 -5.435 1.00 0.00 H new ATOM 605 N SER A 39 3.439 -11.084 -6.975 1.00 0.00 N ATOM 606 CA SER A 39 2.095 -11.024 -7.536 1.00 0.00 C ATOM 607 C SER A 39 1.108 -10.467 -6.514 1.00 0.00 C ATOM 608 O SER A 39 1.472 -10.207 -5.368 1.00 0.00 O ATOM 609 CB SER A 39 1.645 -12.411 -7.996 1.00 0.00 C ATOM 610 OG SER A 39 2.460 -12.885 -9.055 1.00 0.00 O ATOM 0 H SER A 39 3.633 -11.925 -6.432 1.00 0.00 H new ATOM 0 HA SER A 39 2.117 -10.357 -8.398 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.689 -13.108 -7.159 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.606 -12.370 -8.322 1.00 0.00 H new ATOM 0 HG SER A 39 2.154 -13.774 -9.331 1.00 0.00 H new ATOM 616 N ALA A 40 -0.140 -10.286 -6.931 1.00 0.00 N ATOM 617 CA ALA A 40 -1.168 -9.759 -6.042 1.00 0.00 C ATOM 618 C ALA A 40 -1.281 -10.607 -4.780 1.00 0.00 C ATOM 619 O ALA A 40 -1.478 -10.084 -3.682 1.00 0.00 O ATOM 620 CB ALA A 40 -2.502 -9.708 -6.770 1.00 0.00 C ATOM 0 H ALA A 40 -0.463 -10.496 -7.875 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.887 -8.749 -5.744 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.267 -9.313 -6.101 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.415 -9.062 -7.643 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.781 -10.712 -7.088 1.00 0.00 H new ATOM 626 N ASP A 41 -1.151 -11.921 -4.941 1.00 0.00 N ATOM 627 CA ASP A 41 -1.240 -12.842 -3.815 1.00 0.00 C ATOM 628 C ASP A 41 -0.175 -12.531 -2.768 1.00 0.00 C ATOM 629 O ASP A 41 -0.476 -12.415 -1.579 1.00 0.00 O ATOM 630 CB ASP A 41 -1.093 -14.286 -4.300 1.00 0.00 C ATOM 631 CG ASP A 41 0.199 -14.513 -5.057 1.00 0.00 C ATOM 632 OD1 ASP A 41 1.226 -14.799 -4.406 1.00 0.00 O ATOM 633 OD2 ASP A 41 0.185 -14.409 -6.302 1.00 0.00 O ATOM 0 H ASP A 41 -0.984 -12.371 -5.841 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.220 -12.719 -3.353 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.132 -14.960 -3.444 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.936 -14.538 -4.943 1.00 0.00 H new ATOM 638 N ASP A 42 1.072 -12.398 -3.213 1.00 0.00 N ATOM 639 CA ASP A 42 2.179 -12.103 -2.310 1.00 0.00 C ATOM 640 C ASP A 42 1.942 -10.790 -1.565 1.00 0.00 C ATOM 641 O ASP A 42 2.020 -10.737 -0.338 1.00 0.00 O ATOM 642 CB ASP A 42 3.492 -12.030 -3.090 1.00 0.00 C ATOM 643 CG ASP A 42 3.838 -13.347 -3.758 1.00 0.00 C ATOM 644 OD1 ASP A 42 4.442 -14.211 -3.087 1.00 0.00 O ATOM 645 OD2 ASP A 42 3.506 -13.513 -4.950 1.00 0.00 O ATOM 0 H ASP A 42 1.340 -12.490 -4.193 1.00 0.00 H new ATOM 0 HA ASP A 42 2.242 -12.908 -1.577 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.420 -11.249 -3.847 1.00 0.00 H new ATOM 0 HB3 ASP A 42 4.298 -11.745 -2.414 1.00 0.00 H new ATOM 650 N VAL A 43 1.653 -9.730 -2.316 1.00 0.00 N ATOM 651 CA VAL A 43 1.396 -8.421 -1.723 1.00 0.00 C ATOM 652 C VAL A 43 0.188 -8.488 -0.790 1.00 0.00 C ATOM 653 O VAL A 43 0.171 -7.871 0.272 1.00 0.00 O ATOM 654 CB VAL A 43 1.135 -7.357 -2.805 1.00 0.00 C ATOM 655 CG1 VAL A 43 2.374 -7.141 -3.665 1.00 0.00 C ATOM 656 CG2 VAL A 43 -0.054 -7.762 -3.663 1.00 0.00 C ATOM 0 H VAL A 43 1.591 -9.752 -3.334 1.00 0.00 H new ATOM 0 HA VAL A 43 2.285 -8.138 -1.158 1.00 0.00 H new ATOM 0 HB VAL A 43 0.902 -6.413 -2.312 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.164 -6.385 -4.422 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.199 -6.806 -3.037 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.646 -8.077 -4.153 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.229 -7.002 -4.424 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.154 -8.717 -4.145 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.940 -7.857 -3.035 1.00 0.00 H new ATOM 666 N LYS A 44 -0.814 -9.253 -1.206 1.00 0.00 N ATOM 667 CA LYS A 44 -2.035 -9.438 -0.439 1.00 0.00 C ATOM 668 C LYS A 44 -1.739 -10.044 0.933 1.00 0.00 C ATOM 669 O LYS A 44 -2.486 -9.854 1.891 1.00 0.00 O ATOM 670 CB LYS A 44 -3.013 -10.312 -1.223 1.00 0.00 C ATOM 671 CG LYS A 44 -4.276 -10.663 -0.451 1.00 0.00 C ATOM 672 CD LYS A 44 -5.370 -11.182 -1.369 1.00 0.00 C ATOM 673 CE LYS A 44 -6.188 -12.277 -0.702 1.00 0.00 C ATOM 674 NZ LYS A 44 -5.383 -13.504 -0.459 1.00 0.00 N ATOM 0 H LYS A 44 -0.800 -9.764 -2.089 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.491 -8.462 -0.273 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.291 -9.796 -2.142 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.509 -11.233 -1.515 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.045 -11.417 0.302 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.635 -9.781 0.080 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.026 -10.360 -1.655 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.924 -11.568 -2.286 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.583 -11.909 0.245 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.044 -12.524 -1.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.014 -14.330 -0.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.702 -13.631 -1.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.870 -13.410 0.441 1.00 0.00 H new ATOM 688 N LYS A 45 -0.644 -10.785 1.021 1.00 0.00 N ATOM 689 CA LYS A 45 -0.280 -11.445 2.266 1.00 0.00 C ATOM 690 C LYS A 45 -0.204 -10.424 3.386 1.00 0.00 C ATOM 691 O LYS A 45 -0.516 -10.727 4.536 1.00 0.00 O ATOM 692 CB LYS A 45 1.057 -12.170 2.118 1.00 0.00 C ATOM 693 CG LYS A 45 1.092 -13.135 0.947 1.00 0.00 C ATOM 694 CD LYS A 45 1.374 -14.557 1.395 1.00 0.00 C ATOM 695 CE LYS A 45 1.199 -15.546 0.255 1.00 0.00 C ATOM 696 NZ LYS A 45 -0.193 -15.546 -0.273 1.00 0.00 N ATOM 0 H LYS A 45 0.005 -10.944 0.250 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.044 -12.183 2.509 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.850 -11.433 1.996 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.269 -12.717 3.037 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.138 -13.102 0.421 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.858 -12.819 0.239 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.391 -14.623 1.782 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.704 -14.821 2.213 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.892 -15.299 -0.549 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.456 -16.547 0.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.533 -16.525 -0.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.811 -15.018 0.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -0.209 -15.095 -1.210 1.00 0.00 H new ATOM 710 N VAL A 46 0.213 -9.210 3.043 1.00 0.00 N ATOM 711 CA VAL A 46 0.289 -8.139 4.014 1.00 0.00 C ATOM 712 C VAL A 46 -1.098 -7.531 4.208 1.00 0.00 C ATOM 713 O VAL A 46 -1.419 -7.008 5.275 1.00 0.00 O ATOM 714 CB VAL A 46 1.309 -7.048 3.588 1.00 0.00 C ATOM 715 CG1 VAL A 46 0.707 -6.029 2.624 1.00 0.00 C ATOM 716 CG2 VAL A 46 1.878 -6.359 4.814 1.00 0.00 C ATOM 0 H VAL A 46 0.502 -8.949 2.100 1.00 0.00 H new ATOM 0 HA VAL A 46 0.640 -8.556 4.958 1.00 0.00 H new ATOM 0 HB VAL A 46 2.115 -7.548 3.051 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.462 -5.289 2.358 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.365 -6.538 1.723 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.137 -5.531 3.101 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.592 -5.596 4.504 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.070 -5.892 5.377 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.382 -7.093 5.443 1.00 0.00 H new ATOM 726 N PHE A 47 -1.915 -7.607 3.155 1.00 0.00 N ATOM 727 CA PHE A 47 -3.264 -7.075 3.213 1.00 0.00 C ATOM 728 C PHE A 47 -4.032 -7.731 4.349 1.00 0.00 C ATOM 729 O PHE A 47 -4.875 -7.106 4.980 1.00 0.00 O ATOM 730 CB PHE A 47 -4.005 -7.281 1.890 1.00 0.00 C ATOM 731 CG PHE A 47 -5.481 -7.013 1.978 1.00 0.00 C ATOM 732 CD1 PHE A 47 -5.959 -5.728 2.164 1.00 0.00 C ATOM 733 CD2 PHE A 47 -6.388 -8.055 1.886 1.00 0.00 C ATOM 734 CE1 PHE A 47 -7.317 -5.488 2.257 1.00 0.00 C ATOM 735 CE2 PHE A 47 -7.743 -7.822 1.978 1.00 0.00 C ATOM 736 CZ PHE A 47 -8.209 -6.537 2.164 1.00 0.00 C ATOM 0 H PHE A 47 -1.662 -8.030 2.262 1.00 0.00 H new ATOM 0 HA PHE A 47 -3.195 -6.002 3.394 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -3.570 -6.627 1.134 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -3.850 -8.306 1.552 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -5.264 -4.904 2.237 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -6.029 -9.063 1.740 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -7.680 -4.481 2.402 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -8.439 -8.644 1.905 1.00 0.00 H new ATOM 0 HZ PHE A 47 -9.271 -6.352 2.237 1.00 0.00 H new ATOM 746 N HIS A 48 -3.760 -9.004 4.584 1.00 0.00 N ATOM 747 CA HIS A 48 -4.419 -9.722 5.663 1.00 0.00 C ATOM 748 C HIS A 48 -3.863 -9.242 6.995 1.00 0.00 C ATOM 749 O HIS A 48 -4.549 -9.259 8.017 1.00 0.00 O ATOM 750 CB HIS A 48 -4.221 -11.231 5.518 1.00 0.00 C ATOM 751 CG HIS A 48 -4.882 -12.023 6.602 1.00 0.00 C ATOM 752 ND1 HIS A 48 -4.179 -12.663 7.603 1.00 0.00 N ATOM 753 CD2 HIS A 48 -6.190 -12.277 6.843 1.00 0.00 C ATOM 754 CE1 HIS A 48 -5.027 -13.276 8.411 1.00 0.00 C ATOM 755 NE2 HIS A 48 -6.253 -13.056 7.973 1.00 0.00 N ATOM 0 H HIS A 48 -3.093 -9.558 4.047 1.00 0.00 H new ATOM 0 HA HIS A 48 -5.489 -9.521 5.619 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -4.614 -11.551 4.553 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -3.154 -11.452 5.516 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -7.028 -11.931 6.256 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -4.762 -13.858 9.281 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -7.108 -13.407 8.404 1.00 0.00 H new ATOM 764 N ILE A 49 -2.604 -8.816 6.966 1.00 0.00 N ATOM 765 CA ILE A 49 -1.935 -8.302 8.146 1.00 0.00 C ATOM 766 C ILE A 49 -2.511 -6.951 8.528 1.00 0.00 C ATOM 767 O ILE A 49 -2.821 -6.695 9.690 1.00 0.00 O ATOM 768 CB ILE A 49 -0.431 -8.116 7.887 1.00 0.00 C ATOM 769 CG1 ILE A 49 0.184 -9.400 7.335 1.00 0.00 C ATOM 770 CG2 ILE A 49 0.278 -7.682 9.160 1.00 0.00 C ATOM 771 CD1 ILE A 49 0.025 -10.594 8.249 1.00 0.00 C ATOM 0 H ILE A 49 -2.025 -8.819 6.126 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.086 -9.024 8.949 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.304 -7.332 7.140 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.275 -9.627 6.373 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.245 -9.234 7.151 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.342 -7.555 8.959 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.141 -6.737 9.506 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.143 -8.442 9.929 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.487 -11.468 7.789 1.00 0.00 H new ATOM 0 HD12 ILE A 49 0.509 -10.388 9.204 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.035 -10.788 8.413 1.00 0.00 H new ATOM 783 N LEU A 50 -2.637 -6.088 7.527 1.00 0.00 N ATOM 784 CA LEU A 50 -3.153 -4.749 7.724 1.00 0.00 C ATOM 785 C LEU A 50 -4.685 -4.706 7.697 1.00 0.00 C ATOM 786 O LEU A 50 -5.305 -4.026 8.516 1.00 0.00 O ATOM 787 CB LEU A 50 -2.569 -3.846 6.644 1.00 0.00 C ATOM 788 CG LEU A 50 -3.031 -4.149 5.218 1.00 0.00 C ATOM 789 CD1 LEU A 50 -4.271 -3.338 4.867 1.00 0.00 C ATOM 790 CD2 LEU A 50 -1.911 -3.867 4.228 1.00 0.00 C ATOM 0 H LEU A 50 -2.384 -6.300 6.562 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.855 -4.400 8.713 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.825 -2.813 6.880 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.482 -3.921 6.680 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.290 -5.206 5.159 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.581 -3.570 3.848 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.077 -3.588 5.557 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.044 -2.275 4.944 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.255 -4.087 3.217 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.624 -2.818 4.293 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.051 -4.494 4.463 1.00 0.00 H new ATOM 802 N ASP A 51 -5.292 -5.431 6.762 1.00 0.00 N ATOM 803 CA ASP A 51 -6.748 -5.453 6.637 1.00 0.00 C ATOM 804 C ASP A 51 -7.368 -6.520 7.537 1.00 0.00 C ATOM 805 O ASP A 51 -8.188 -7.321 7.089 1.00 0.00 O ATOM 806 CB ASP A 51 -7.142 -5.710 5.190 1.00 0.00 C ATOM 807 CG ASP A 51 -8.568 -5.299 4.889 1.00 0.00 C ATOM 808 OD1 ASP A 51 -9.486 -6.104 5.154 1.00 0.00 O ATOM 809 OD2 ASP A 51 -8.767 -4.175 4.385 1.00 0.00 O ATOM 0 H ASP A 51 -4.801 -6.010 6.081 1.00 0.00 H new ATOM 0 HA ASP A 51 -7.126 -4.480 6.952 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -6.465 -5.166 4.532 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -7.019 -6.770 4.967 1.00 0.00 H new ATOM 814 N LYS A 52 -6.972 -6.526 8.805 1.00 0.00 N ATOM 815 CA LYS A 52 -7.477 -7.507 9.758 1.00 0.00 C ATOM 816 C LYS A 52 -8.939 -7.251 10.141 1.00 0.00 C ATOM 817 O LYS A 52 -9.770 -8.158 10.059 1.00 0.00 O ATOM 818 CB LYS A 52 -6.578 -7.568 11.008 1.00 0.00 C ATOM 819 CG LYS A 52 -6.824 -6.485 12.056 1.00 0.00 C ATOM 820 CD LYS A 52 -6.305 -5.120 11.617 1.00 0.00 C ATOM 821 CE LYS A 52 -4.792 -5.116 11.479 1.00 0.00 C ATOM 822 NZ LYS A 52 -4.277 -3.788 11.044 1.00 0.00 N ATOM 0 H LYS A 52 -6.303 -5.863 9.196 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.448 -8.478 9.264 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -6.710 -8.541 11.481 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.538 -7.508 10.688 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -7.893 -6.416 12.259 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.340 -6.771 12.990 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -6.759 -4.847 10.664 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -6.607 -4.365 12.342 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.340 -5.386 12.433 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.491 -5.876 10.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -3.243 -3.832 10.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.702 -3.534 10.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.527 -3.070 11.753 1.00 0.00 H new ATOM 836 N ASP A 53 -9.258 -6.026 10.553 1.00 0.00 N ATOM 837 CA ASP A 53 -10.619 -5.688 10.959 1.00 0.00 C ATOM 838 C ASP A 53 -11.245 -4.650 10.031 1.00 0.00 C ATOM 839 O ASP A 53 -12.174 -3.945 10.421 1.00 0.00 O ATOM 840 CB ASP A 53 -10.622 -5.170 12.399 1.00 0.00 C ATOM 841 CG ASP A 53 -12.022 -4.912 12.924 1.00 0.00 C ATOM 842 OD1 ASP A 53 -12.642 -5.862 13.446 1.00 0.00 O ATOM 843 OD2 ASP A 53 -12.494 -3.762 12.816 1.00 0.00 O ATOM 0 H ASP A 53 -8.595 -5.254 10.614 1.00 0.00 H new ATOM 0 HA ASP A 53 -11.219 -6.596 10.896 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -10.125 -5.895 13.043 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -10.043 -4.248 12.451 1.00 0.00 H new ATOM 848 N LYS A 54 -10.739 -4.556 8.808 1.00 0.00 N ATOM 849 CA LYS A 54 -11.268 -3.592 7.851 1.00 0.00 C ATOM 850 C LYS A 54 -12.432 -4.173 7.043 1.00 0.00 C ATOM 851 O LYS A 54 -12.909 -3.549 6.098 1.00 0.00 O ATOM 852 CB LYS A 54 -10.165 -3.107 6.929 1.00 0.00 C ATOM 853 CG LYS A 54 -8.847 -2.884 7.649 1.00 0.00 C ATOM 854 CD LYS A 54 -8.989 -1.872 8.775 1.00 0.00 C ATOM 855 CE LYS A 54 -9.382 -0.503 8.250 1.00 0.00 C ATOM 856 NZ LYS A 54 -9.647 0.462 9.352 1.00 0.00 N ATOM 0 H LYS A 54 -9.971 -5.129 8.458 1.00 0.00 H new ATOM 0 HA LYS A 54 -11.656 -2.743 8.414 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -10.019 -3.836 6.132 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.477 -2.176 6.456 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -8.488 -3.830 8.053 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -8.098 -2.536 6.938 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -9.740 -2.219 9.485 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.047 -1.797 9.319 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -8.586 -0.117 7.613 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -10.272 -0.595 7.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -9.912 1.384 8.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -10.424 0.107 9.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -8.790 0.571 9.932 1.00 0.00 H new ATOM 870 N SER A 55 -12.876 -5.374 7.419 1.00 0.00 N ATOM 871 CA SER A 55 -14.001 -6.036 6.757 1.00 0.00 C ATOM 872 C SER A 55 -13.755 -6.267 5.267 1.00 0.00 C ATOM 873 O SER A 55 -14.687 -6.206 4.464 1.00 0.00 O ATOM 874 CB SER A 55 -15.289 -5.230 6.950 1.00 0.00 C ATOM 875 OG SER A 55 -15.266 -4.030 6.196 1.00 0.00 O ATOM 0 H SER A 55 -12.469 -5.911 8.185 1.00 0.00 H new ATOM 0 HA SER A 55 -14.106 -7.014 7.226 1.00 0.00 H new ATOM 0 HB2 SER A 55 -16.146 -5.833 6.650 1.00 0.00 H new ATOM 0 HB3 SER A 55 -15.418 -4.995 8.007 1.00 0.00 H new ATOM 0 HG SER A 55 -14.391 -3.931 5.765 1.00 0.00 H new ATOM 881 N GLY A 56 -12.507 -6.533 4.895 1.00 0.00 N ATOM 882 CA GLY A 56 -12.195 -6.796 3.500 1.00 0.00 C ATOM 883 C GLY A 56 -11.664 -5.589 2.749 1.00 0.00 C ATOM 884 O GLY A 56 -11.228 -5.714 1.606 1.00 0.00 O ATOM 0 H GLY A 56 -11.709 -6.571 5.530 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -11.458 -7.597 3.448 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -13.093 -7.157 2.999 1.00 0.00 H new ATOM 888 N PHE A 57 -11.719 -4.415 3.367 1.00 0.00 N ATOM 889 CA PHE A 57 -11.219 -3.202 2.720 1.00 0.00 C ATOM 890 C PHE A 57 -11.050 -2.051 3.701 1.00 0.00 C ATOM 891 O PHE A 57 -11.768 -1.936 4.693 1.00 0.00 O ATOM 892 CB PHE A 57 -12.100 -2.781 1.526 1.00 0.00 C ATOM 893 CG PHE A 57 -13.460 -2.255 1.890 1.00 0.00 C ATOM 894 CD1 PHE A 57 -14.044 -2.578 3.094 1.00 0.00 C ATOM 895 CD2 PHE A 57 -14.156 -1.439 1.012 1.00 0.00 C ATOM 896 CE1 PHE A 57 -15.296 -2.102 3.429 1.00 0.00 C ATOM 897 CE2 PHE A 57 -15.409 -0.957 1.336 1.00 0.00 C ATOM 898 CZ PHE A 57 -15.981 -1.289 2.549 1.00 0.00 C ATOM 0 H PHE A 57 -12.099 -4.275 4.303 1.00 0.00 H new ATOM 0 HA PHE A 57 -10.230 -3.449 2.334 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -11.572 -2.016 0.957 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -12.224 -3.640 0.866 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -13.514 -3.214 3.788 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -13.713 -1.177 0.063 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -15.739 -2.365 4.378 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -15.941 -0.322 0.643 1.00 0.00 H new ATOM 0 HZ PHE A 57 -16.960 -0.914 2.807 1.00 0.00 H new ATOM 908 N ILE A 58 -10.080 -1.201 3.389 1.00 0.00 N ATOM 909 CA ILE A 58 -9.758 -0.035 4.198 1.00 0.00 C ATOM 910 C ILE A 58 -10.282 1.218 3.534 1.00 0.00 C ATOM 911 O ILE A 58 -10.301 1.324 2.310 1.00 0.00 O ATOM 912 CB ILE A 58 -8.245 0.104 4.438 1.00 0.00 C ATOM 913 CG1 ILE A 58 -7.619 -1.264 4.720 1.00 0.00 C ATOM 914 CG2 ILE A 58 -7.986 1.057 5.596 1.00 0.00 C ATOM 915 CD1 ILE A 58 -7.036 -1.930 3.491 1.00 0.00 C ATOM 0 H ILE A 58 -9.492 -1.303 2.562 1.00 0.00 H new ATOM 0 HA ILE A 58 -10.238 -0.171 5.167 1.00 0.00 H new ATOM 0 HB ILE A 58 -7.784 0.512 3.539 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.834 -1.148 5.467 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -8.376 -1.918 5.153 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -6.912 1.149 5.758 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.403 2.036 5.361 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -8.457 0.669 6.499 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -6.610 -2.895 3.767 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -7.822 -2.079 2.750 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -6.256 -1.296 3.069 1.00 0.00 H new ATOM 927 N GLU A 59 -10.672 2.174 4.352 1.00 0.00 N ATOM 928 CA GLU A 59 -11.251 3.404 3.865 1.00 0.00 C ATOM 929 C GLU A 59 -10.218 4.515 3.798 1.00 0.00 C ATOM 930 O GLU A 59 -9.510 4.801 4.763 1.00 0.00 O ATOM 931 CB GLU A 59 -12.383 3.806 4.802 1.00 0.00 C ATOM 932 CG GLU A 59 -13.759 3.373 4.327 1.00 0.00 C ATOM 933 CD GLU A 59 -14.869 3.862 5.238 1.00 0.00 C ATOM 934 OE1 GLU A 59 -15.286 5.029 5.091 1.00 0.00 O ATOM 935 OE2 GLU A 59 -15.318 3.077 6.099 1.00 0.00 O ATOM 0 H GLU A 59 -10.596 2.119 5.368 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.627 3.244 2.855 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.197 3.375 5.786 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.375 4.889 4.921 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -13.928 3.752 3.319 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -13.794 2.285 4.269 1.00 0.00 H new ATOM 942 N GLU A 60 -10.164 5.131 2.621 1.00 0.00 N ATOM 943 CA GLU A 60 -9.241 6.221 2.313 1.00 0.00 C ATOM 944 C GLU A 60 -8.967 7.107 3.526 1.00 0.00 C ATOM 945 O GLU A 60 -7.867 7.636 3.678 1.00 0.00 O ATOM 946 CB GLU A 60 -9.828 7.064 1.187 1.00 0.00 C ATOM 947 CG GLU A 60 -11.215 7.548 1.513 1.00 0.00 C ATOM 948 CD GLU A 60 -11.599 8.800 0.750 1.00 0.00 C ATOM 949 OE1 GLU A 60 -12.026 8.677 -0.417 1.00 0.00 O ATOM 950 OE2 GLU A 60 -11.474 9.904 1.320 1.00 0.00 O ATOM 0 H GLU A 60 -10.771 4.883 1.840 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.291 5.781 2.011 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.180 7.920 0.998 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.855 6.476 0.269 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -11.932 6.758 1.289 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.283 7.746 2.583 1.00 0.00 H new ATOM 957 N ASP A 61 -9.975 7.278 4.373 1.00 0.00 N ATOM 958 CA ASP A 61 -9.833 8.100 5.564 1.00 0.00 C ATOM 959 C ASP A 61 -8.934 7.412 6.583 1.00 0.00 C ATOM 960 O ASP A 61 -7.972 7.998 7.079 1.00 0.00 O ATOM 961 CB ASP A 61 -11.204 8.382 6.178 1.00 0.00 C ATOM 962 CG ASP A 61 -12.106 9.162 5.242 1.00 0.00 C ATOM 963 OD1 ASP A 61 -11.952 10.399 5.160 1.00 0.00 O ATOM 964 OD2 ASP A 61 -12.971 8.537 4.592 1.00 0.00 O ATOM 0 H ASP A 61 -10.897 6.858 4.256 1.00 0.00 H new ATOM 0 HA ASP A 61 -9.373 9.046 5.278 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -11.684 7.438 6.438 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -11.076 8.941 7.105 1.00 0.00 H new ATOM 969 N GLU A 62 -9.260 6.160 6.887 1.00 0.00 N ATOM 970 CA GLU A 62 -8.481 5.374 7.834 1.00 0.00 C ATOM 971 C GLU A 62 -7.225 4.826 7.167 1.00 0.00 C ATOM 972 O GLU A 62 -6.277 4.422 7.843 1.00 0.00 O ATOM 973 CB GLU A 62 -9.320 4.222 8.389 1.00 0.00 C ATOM 974 CG GLU A 62 -10.498 4.676 9.235 1.00 0.00 C ATOM 975 CD GLU A 62 -11.459 5.563 8.470 1.00 0.00 C ATOM 976 OE1 GLU A 62 -11.266 6.796 8.482 1.00 0.00 O ATOM 977 OE2 GLU A 62 -12.405 5.024 7.859 1.00 0.00 O ATOM 0 H GLU A 62 -10.060 5.668 6.490 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.187 6.025 8.657 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.691 3.621 7.558 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.681 3.575 8.990 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.033 3.801 9.605 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -10.128 5.215 10.107 1.00 0.00 H new ATOM 984 N LEU A 63 -7.223 4.810 5.833 1.00 0.00 N ATOM 985 CA LEU A 63 -6.083 4.319 5.076 1.00 0.00 C ATOM 986 C LEU A 63 -4.795 4.953 5.575 1.00 0.00 C ATOM 987 O LEU A 63 -3.732 4.329 5.562 1.00 0.00 O ATOM 988 CB LEU A 63 -6.279 4.603 3.587 1.00 0.00 C ATOM 989 CG LEU A 63 -5.895 3.456 2.640 1.00 0.00 C ATOM 990 CD1 LEU A 63 -4.706 2.668 3.172 1.00 0.00 C ATOM 991 CD2 LEU A 63 -7.080 2.534 2.413 1.00 0.00 C ATOM 0 H LEU A 63 -8.002 5.133 5.259 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.009 3.241 5.219 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -7.326 4.856 3.418 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.692 5.482 3.322 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.604 3.897 1.687 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.462 1.865 2.477 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.847 3.331 3.276 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.957 2.243 4.144 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.790 1.727 1.740 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.402 2.113 3.366 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -7.901 3.098 1.970 1.00 0.00 H new ATOM 1003 N GLY A 64 -4.906 6.189 6.027 1.00 0.00 N ATOM 1004 CA GLY A 64 -3.750 6.892 6.541 1.00 0.00 C ATOM 1005 C GLY A 64 -3.256 6.299 7.840 1.00 0.00 C ATOM 1006 O GLY A 64 -2.106 6.503 8.226 1.00 0.00 O ATOM 0 H GLY A 64 -5.776 6.720 6.048 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.950 6.862 5.802 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -4.003 7.941 6.695 1.00 0.00 H new ATOM 1010 N SER A 65 -4.125 5.562 8.518 1.00 0.00 N ATOM 1011 CA SER A 65 -3.756 4.921 9.767 1.00 0.00 C ATOM 1012 C SER A 65 -3.116 3.575 9.471 1.00 0.00 C ATOM 1013 O SER A 65 -1.951 3.346 9.765 1.00 0.00 O ATOM 1014 CB SER A 65 -4.983 4.735 10.660 1.00 0.00 C ATOM 1015 OG SER A 65 -4.627 4.152 11.901 1.00 0.00 O ATOM 0 H SER A 65 -5.087 5.395 8.223 1.00 0.00 H new ATOM 0 HA SER A 65 -3.044 5.555 10.295 1.00 0.00 H new ATOM 0 HB2 SER A 65 -5.461 5.699 10.832 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.713 4.103 10.154 1.00 0.00 H new ATOM 0 HG SER A 65 -5.429 4.045 12.454 1.00 0.00 H new ATOM 1021 N ILE A 66 -3.882 2.698 8.848 1.00 0.00 N ATOM 1022 CA ILE A 66 -3.396 1.372 8.503 1.00 0.00 C ATOM 1023 C ILE A 66 -2.064 1.454 7.753 1.00 0.00 C ATOM 1024 O ILE A 66 -1.278 0.506 7.755 1.00 0.00 O ATOM 1025 CB ILE A 66 -4.423 0.618 7.640 1.00 0.00 C ATOM 1026 CG1 ILE A 66 -4.036 -0.843 7.512 1.00 0.00 C ATOM 1027 CG2 ILE A 66 -4.546 1.263 6.268 1.00 0.00 C ATOM 1028 CD1 ILE A 66 -3.895 -1.549 8.843 1.00 0.00 C ATOM 0 H ILE A 66 -4.846 2.880 8.569 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.245 0.827 9.435 1.00 0.00 H new ATOM 0 HB ILE A 66 -5.394 0.675 8.131 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.787 -1.359 6.914 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.093 -0.915 6.970 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.277 0.716 5.673 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.871 2.297 6.380 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.578 1.239 5.767 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.617 -2.589 8.675 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.123 -1.058 9.435 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.844 -1.509 9.378 1.00 0.00 H new ATOM 1040 N LEU A 67 -1.822 2.597 7.115 1.00 0.00 N ATOM 1041 CA LEU A 67 -0.596 2.822 6.356 1.00 0.00 C ATOM 1042 C LEU A 67 0.653 2.372 7.105 1.00 0.00 C ATOM 1043 O LEU A 67 1.465 1.613 6.572 1.00 0.00 O ATOM 1044 CB LEU A 67 -0.480 4.310 6.035 1.00 0.00 C ATOM 1045 CG LEU A 67 -0.529 4.666 4.548 1.00 0.00 C ATOM 1046 CD1 LEU A 67 0.776 4.291 3.864 1.00 0.00 C ATOM 1047 CD2 LEU A 67 -1.700 3.983 3.860 1.00 0.00 C ATOM 0 H LEU A 67 -2.466 3.388 7.110 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.659 2.225 5.446 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.286 4.838 6.544 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.457 4.682 6.450 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.668 5.744 4.467 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.721 4.552 2.807 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.599 4.833 4.329 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.944 3.219 3.964 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.710 4.254 2.804 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.598 2.902 3.956 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.632 4.303 4.326 1.00 0.00 H new ATOM 1059 N LYS A 68 0.798 2.822 8.346 1.00 0.00 N ATOM 1060 CA LYS A 68 1.974 2.491 9.126 1.00 0.00 C ATOM 1061 C LYS A 68 2.301 0.998 9.133 1.00 0.00 C ATOM 1062 O LYS A 68 3.409 0.623 9.508 1.00 0.00 O ATOM 1063 CB LYS A 68 1.856 3.043 10.541 1.00 0.00 C ATOM 1064 CG LYS A 68 0.454 3.043 11.118 1.00 0.00 C ATOM 1065 CD LYS A 68 -0.235 1.698 10.966 1.00 0.00 C ATOM 1066 CE LYS A 68 0.487 0.607 11.742 1.00 0.00 C ATOM 1067 NZ LYS A 68 -0.192 -0.712 11.604 1.00 0.00 N ATOM 0 H LYS A 68 0.119 3.412 8.827 1.00 0.00 H new ATOM 0 HA LYS A 68 2.817 2.974 8.632 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.502 2.459 11.197 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.235 4.065 10.548 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.499 3.308 12.174 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -0.140 3.811 10.622 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -1.264 1.774 11.317 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -0.277 1.428 9.911 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.514 0.526 11.385 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.536 0.882 12.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 0.330 -1.429 12.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -1.164 -0.642 11.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.216 -0.987 10.601 1.00 0.00 H new ATOM 1081 N GLY A 69 1.366 0.131 8.726 1.00 0.00 N ATOM 1082 CA GLY A 69 1.673 -1.293 8.686 1.00 0.00 C ATOM 1083 C GLY A 69 3.010 -1.539 8.009 1.00 0.00 C ATOM 1084 O GLY A 69 3.883 -2.215 8.552 1.00 0.00 O ATOM 0 H GLY A 69 0.423 0.383 8.430 1.00 0.00 H new ATOM 0 HA2 GLY A 69 1.695 -1.693 9.700 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.886 -1.824 8.150 1.00 0.00 H new ATOM 1088 N PHE A 70 3.156 -0.981 6.810 1.00 0.00 N ATOM 1089 CA PHE A 70 4.399 -1.082 6.058 1.00 0.00 C ATOM 1090 C PHE A 70 5.218 0.189 6.261 1.00 0.00 C ATOM 1091 O PHE A 70 6.426 0.150 6.495 1.00 0.00 O ATOM 1092 CB PHE A 70 4.127 -1.291 4.562 1.00 0.00 C ATOM 1093 CG PHE A 70 2.960 -0.504 4.023 1.00 0.00 C ATOM 1094 CD1 PHE A 70 1.664 -0.968 4.185 1.00 0.00 C ATOM 1095 CD2 PHE A 70 3.159 0.691 3.345 1.00 0.00 C ATOM 1096 CE1 PHE A 70 0.589 -0.257 3.686 1.00 0.00 C ATOM 1097 CE2 PHE A 70 2.084 1.406 2.841 1.00 0.00 C ATOM 1098 CZ PHE A 70 0.800 0.931 3.012 1.00 0.00 C ATOM 0 H PHE A 70 2.423 -0.452 6.338 1.00 0.00 H new ATOM 0 HA PHE A 70 4.955 -1.945 6.424 1.00 0.00 H new ATOM 0 HB2 PHE A 70 5.022 -1.020 4.002 1.00 0.00 H new ATOM 0 HB3 PHE A 70 3.948 -2.351 4.383 1.00 0.00 H new ATOM 0 HD1 PHE A 70 1.492 -1.897 4.708 1.00 0.00 H new ATOM 0 HD2 PHE A 70 4.162 1.067 3.209 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -0.415 -0.630 3.823 1.00 0.00 H new ATOM 0 HE2 PHE A 70 2.251 2.334 2.315 1.00 0.00 H new ATOM 0 HZ PHE A 70 -0.039 1.487 2.620 1.00 0.00 H new ATOM 1108 N SER A 71 4.509 1.312 6.192 1.00 0.00 N ATOM 1109 CA SER A 71 5.081 2.648 6.324 1.00 0.00 C ATOM 1110 C SER A 71 5.478 2.998 7.759 1.00 0.00 C ATOM 1111 O SER A 71 5.899 4.121 8.022 1.00 0.00 O ATOM 1112 CB SER A 71 4.099 3.691 5.792 1.00 0.00 C ATOM 1113 OG SER A 71 3.474 3.242 4.603 1.00 0.00 O ATOM 0 H SER A 71 3.500 1.319 6.040 1.00 0.00 H new ATOM 0 HA SER A 71 5.997 2.653 5.733 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.342 3.901 6.548 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.625 4.626 5.599 1.00 0.00 H new ATOM 0 HG SER A 71 3.819 2.356 4.367 1.00 0.00 H new ATOM 1119 N SER A 72 5.316 2.069 8.699 1.00 0.00 N ATOM 1120 CA SER A 72 5.660 2.348 10.097 1.00 0.00 C ATOM 1121 C SER A 72 7.018 3.046 10.218 1.00 0.00 C ATOM 1122 O SER A 72 7.276 3.740 11.204 1.00 0.00 O ATOM 1123 CB SER A 72 5.680 1.051 10.915 1.00 0.00 C ATOM 1124 OG SER A 72 6.491 1.189 12.069 1.00 0.00 O ATOM 0 H SER A 72 4.955 1.131 8.526 1.00 0.00 H new ATOM 0 HA SER A 72 4.894 3.016 10.490 1.00 0.00 H new ATOM 0 HB2 SER A 72 4.664 0.787 11.210 1.00 0.00 H new ATOM 0 HB3 SER A 72 6.055 0.234 10.298 1.00 0.00 H new ATOM 0 HG SER A 72 6.486 0.349 12.574 1.00 0.00 H new ATOM 1130 N ASP A 73 7.885 2.865 9.224 1.00 0.00 N ATOM 1131 CA ASP A 73 9.196 3.507 9.232 1.00 0.00 C ATOM 1132 C ASP A 73 9.148 4.869 8.537 1.00 0.00 C ATOM 1133 O ASP A 73 9.977 5.741 8.799 1.00 0.00 O ATOM 1134 CB ASP A 73 10.229 2.614 8.557 1.00 0.00 C ATOM 1135 CG ASP A 73 10.157 1.178 9.036 1.00 0.00 C ATOM 1136 OD1 ASP A 73 9.400 0.387 8.435 1.00 0.00 O ATOM 1137 OD2 ASP A 73 10.857 0.842 10.015 1.00 0.00 O ATOM 0 H ASP A 73 7.704 2.282 8.407 1.00 0.00 H new ATOM 0 HA ASP A 73 9.485 3.663 10.271 1.00 0.00 H new ATOM 0 HB2 ASP A 73 10.078 2.642 7.478 1.00 0.00 H new ATOM 0 HB3 ASP A 73 11.227 3.008 8.750 1.00 0.00 H new ATOM 1142 N ALA A 74 8.173 5.045 7.646 1.00 0.00 N ATOM 1143 CA ALA A 74 8.010 6.299 6.914 1.00 0.00 C ATOM 1144 C ALA A 74 6.753 7.047 7.359 1.00 0.00 C ATOM 1145 O ALA A 74 6.214 6.788 8.435 1.00 0.00 O ATOM 1146 CB ALA A 74 7.953 6.031 5.417 1.00 0.00 C ATOM 0 H ALA A 74 7.482 4.332 7.414 1.00 0.00 H new ATOM 0 HA ALA A 74 8.873 6.928 7.135 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.831 6.973 4.883 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.878 5.550 5.098 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.109 5.377 5.196 1.00 0.00 H new ATOM 1152 N ARG A 75 6.292 7.977 6.522 1.00 0.00 N ATOM 1153 CA ARG A 75 5.099 8.764 6.825 1.00 0.00 C ATOM 1154 C ARG A 75 3.824 7.972 6.537 1.00 0.00 C ATOM 1155 O ARG A 75 3.878 6.784 6.222 1.00 0.00 O ATOM 1156 CB ARG A 75 5.107 10.063 6.016 1.00 0.00 C ATOM 1157 CG ARG A 75 6.226 11.016 6.404 1.00 0.00 C ATOM 1158 CD ARG A 75 6.057 12.371 5.739 1.00 0.00 C ATOM 1159 NE ARG A 75 4.749 12.955 6.018 1.00 0.00 N ATOM 1160 CZ ARG A 75 4.458 13.619 7.131 1.00 0.00 C ATOM 1161 NH1 ARG A 75 5.378 13.781 8.072 1.00 0.00 N ATOM 1162 NH2 ARG A 75 3.241 14.119 7.308 1.00 0.00 N ATOM 0 H ARG A 75 6.728 8.203 5.628 1.00 0.00 H new ATOM 0 HA ARG A 75 5.113 9.003 7.888 1.00 0.00 H new ATOM 0 HB2 ARG A 75 5.198 9.821 4.957 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.150 10.568 6.146 1.00 0.00 H new ATOM 0 HG2 ARG A 75 6.241 11.140 7.487 1.00 0.00 H new ATOM 0 HG3 ARG A 75 7.187 10.587 6.119 1.00 0.00 H new ATOM 0 HD2 ARG A 75 6.838 13.047 6.088 1.00 0.00 H new ATOM 0 HD3 ARG A 75 6.185 12.265 4.662 1.00 0.00 H new ATOM 0 HE ARG A 75 4.016 12.847 5.317 1.00 0.00 H new ATOM 0 HH11 ARG A 75 6.313 13.395 7.943 1.00 0.00 H new ATOM 0 HH12 ARG A 75 5.150 14.292 8.925 1.00 0.00 H new ATOM 0 HH21 ARG A 75 2.528 13.993 6.589 1.00 0.00 H new ATOM 0 HH22 ARG A 75 3.018 14.629 8.163 1.00 0.00 H new ATOM 1176 N ASP A 76 2.676 8.641 6.651 1.00 0.00 N ATOM 1177 CA ASP A 76 1.386 8.000 6.411 1.00 0.00 C ATOM 1178 C ASP A 76 0.662 8.620 5.216 1.00 0.00 C ATOM 1179 O ASP A 76 1.165 9.548 4.582 1.00 0.00 O ATOM 1180 CB ASP A 76 0.510 8.113 7.659 1.00 0.00 C ATOM 1181 CG ASP A 76 1.113 7.406 8.856 1.00 0.00 C ATOM 1182 OD1 ASP A 76 1.922 8.034 9.572 1.00 0.00 O ATOM 1183 OD2 ASP A 76 0.780 6.223 9.077 1.00 0.00 O ATOM 0 H ASP A 76 2.615 9.626 6.908 1.00 0.00 H new ATOM 0 HA ASP A 76 1.573 6.950 6.184 1.00 0.00 H new ATOM 0 HB2 ASP A 76 0.360 9.165 7.900 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.473 7.691 7.449 1.00 0.00 H new ATOM 1188 N LEU A 77 -0.528 8.098 4.922 1.00 0.00 N ATOM 1189 CA LEU A 77 -1.342 8.584 3.807 1.00 0.00 C ATOM 1190 C LEU A 77 -1.936 9.950 4.128 1.00 0.00 C ATOM 1191 O LEU A 77 -2.836 10.060 4.962 1.00 0.00 O ATOM 1192 CB LEU A 77 -2.477 7.599 3.517 1.00 0.00 C ATOM 1193 CG LEU A 77 -2.722 7.304 2.040 1.00 0.00 C ATOM 1194 CD1 LEU A 77 -1.481 6.701 1.406 1.00 0.00 C ATOM 1195 CD2 LEU A 77 -3.911 6.371 1.872 1.00 0.00 C ATOM 0 H LEU A 77 -0.953 7.332 5.445 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.699 8.673 2.931 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.261 6.660 4.027 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.397 7.992 3.950 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.947 8.243 1.535 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.673 6.497 0.353 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.650 7.401 1.494 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.227 5.771 1.915 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.070 6.172 0.812 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.714 5.433 2.392 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.802 6.838 2.292 1.00 0.00 H new ATOM 1207 N SER A 78 -1.438 10.986 3.469 1.00 0.00 N ATOM 1208 CA SER A 78 -1.944 12.333 3.689 1.00 0.00 C ATOM 1209 C SER A 78 -3.007 12.666 2.654 1.00 0.00 C ATOM 1210 O SER A 78 -3.384 11.816 1.846 1.00 0.00 O ATOM 1211 CB SER A 78 -0.804 13.352 3.617 1.00 0.00 C ATOM 1212 OG SER A 78 0.177 13.090 4.606 1.00 0.00 O ATOM 0 H SER A 78 -0.688 10.921 2.781 1.00 0.00 H new ATOM 0 HA SER A 78 -2.389 12.379 4.683 1.00 0.00 H new ATOM 0 HB2 SER A 78 -0.346 13.321 2.628 1.00 0.00 H new ATOM 0 HB3 SER A 78 -1.202 14.358 3.752 1.00 0.00 H new ATOM 0 HG SER A 78 0.895 13.753 4.538 1.00 0.00 H new ATOM 1218 N ALA A 79 -3.492 13.904 2.674 1.00 0.00 N ATOM 1219 CA ALA A 79 -4.508 14.339 1.721 1.00 0.00 C ATOM 1220 C ALA A 79 -4.117 13.938 0.304 1.00 0.00 C ATOM 1221 O ALA A 79 -4.909 13.357 -0.438 1.00 0.00 O ATOM 1222 CB ALA A 79 -4.683 15.846 1.800 1.00 0.00 C ATOM 0 H ALA A 79 -3.199 14.622 3.337 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.451 13.854 1.974 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -5.443 16.162 1.085 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.994 16.124 2.807 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -3.738 16.335 1.564 1.00 0.00 H new ATOM 1228 N LYS A 80 -2.881 14.259 -0.050 1.00 0.00 N ATOM 1229 CA LYS A 80 -2.345 13.944 -1.367 1.00 0.00 C ATOM 1230 C LYS A 80 -2.438 12.452 -1.681 1.00 0.00 C ATOM 1231 O LYS A 80 -2.981 12.068 -2.704 1.00 0.00 O ATOM 1232 CB LYS A 80 -0.885 14.389 -1.457 1.00 0.00 C ATOM 1233 CG LYS A 80 -0.705 15.897 -1.462 1.00 0.00 C ATOM 1234 CD LYS A 80 0.752 16.277 -1.665 1.00 0.00 C ATOM 1235 CE LYS A 80 0.916 17.774 -1.876 1.00 0.00 C ATOM 1236 NZ LYS A 80 2.341 18.152 -2.084 1.00 0.00 N ATOM 0 H LYS A 80 -2.225 14.742 0.563 1.00 0.00 H new ATOM 0 HA LYS A 80 -2.947 14.481 -2.100 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -0.334 13.969 -0.615 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -0.444 13.976 -2.364 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -1.311 16.335 -2.255 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -1.064 16.312 -0.520 1.00 0.00 H new ATOM 0 HD2 LYS A 80 1.334 15.965 -0.798 1.00 0.00 H new ATOM 0 HD3 LYS A 80 1.152 15.742 -2.526 1.00 0.00 H new ATOM 0 HE2 LYS A 80 0.328 18.086 -2.739 1.00 0.00 H new ATOM 0 HE3 LYS A 80 0.521 18.308 -1.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 2.423 19.188 -2.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 2.915 17.788 -1.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 2.681 17.744 -2.978 1.00 0.00 H new ATOM 1250 N GLU A 81 -1.905 11.622 -0.790 1.00 0.00 N ATOM 1251 CA GLU A 81 -1.904 10.171 -0.979 1.00 0.00 C ATOM 1252 C GLU A 81 -3.300 9.584 -0.873 1.00 0.00 C ATOM 1253 O GLU A 81 -3.634 8.646 -1.584 1.00 0.00 O ATOM 1254 CB GLU A 81 -1.001 9.507 0.054 1.00 0.00 C ATOM 1255 CG GLU A 81 0.373 10.149 0.169 1.00 0.00 C ATOM 1256 CD GLU A 81 1.214 9.537 1.271 1.00 0.00 C ATOM 1257 OE1 GLU A 81 1.615 8.363 1.129 1.00 0.00 O ATOM 1258 OE2 GLU A 81 1.471 10.232 2.276 1.00 0.00 O ATOM 0 H GLU A 81 -1.465 11.930 0.077 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.528 9.977 -1.984 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.491 9.541 1.027 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.880 8.455 -0.205 1.00 0.00 H new ATOM 0 HG2 GLU A 81 0.897 10.048 -0.781 1.00 0.00 H new ATOM 0 HG3 GLU A 81 0.256 11.216 0.357 1.00 0.00 H new ATOM 1265 N THR A 82 -4.126 10.096 0.026 1.00 0.00 N ATOM 1266 CA THR A 82 -5.476 9.566 0.138 1.00 0.00 C ATOM 1267 C THR A 82 -6.138 9.632 -1.235 1.00 0.00 C ATOM 1268 O THR A 82 -6.695 8.651 -1.732 1.00 0.00 O ATOM 1269 CB THR A 82 -6.313 10.370 1.148 1.00 0.00 C ATOM 1270 OG1 THR A 82 -5.679 10.357 2.432 1.00 0.00 O ATOM 1271 CG2 THR A 82 -7.717 9.799 1.265 1.00 0.00 C ATOM 0 H THR A 82 -3.897 10.853 0.670 1.00 0.00 H new ATOM 0 HA THR A 82 -5.421 8.537 0.493 1.00 0.00 H new ATOM 0 HB THR A 82 -6.384 11.397 0.789 1.00 0.00 H new ATOM 0 HG1 THR A 82 -4.839 10.859 2.387 1.00 0.00 H new ATOM 0 HG21 THR A 82 -8.289 10.384 1.985 1.00 0.00 H new ATOM 0 HG22 THR A 82 -8.208 9.839 0.293 1.00 0.00 H new ATOM 0 HG23 THR A 82 -7.662 8.764 1.601 1.00 0.00 H new ATOM 1279 N LYS A 83 -6.047 10.810 -1.833 1.00 0.00 N ATOM 1280 CA LYS A 83 -6.572 11.048 -3.165 1.00 0.00 C ATOM 1281 C LYS A 83 -5.651 10.466 -4.243 1.00 0.00 C ATOM 1282 O LYS A 83 -6.112 10.056 -5.302 1.00 0.00 O ATOM 1283 CB LYS A 83 -6.760 12.548 -3.399 1.00 0.00 C ATOM 1284 CG LYS A 83 -7.808 13.181 -2.497 1.00 0.00 C ATOM 1285 CD LYS A 83 -9.187 12.583 -2.731 1.00 0.00 C ATOM 1286 CE LYS A 83 -9.509 11.503 -1.710 1.00 0.00 C ATOM 1287 NZ LYS A 83 -9.644 12.062 -0.337 1.00 0.00 N ATOM 0 H LYS A 83 -5.607 11.626 -1.407 1.00 0.00 H new ATOM 0 HA LYS A 83 -7.537 10.546 -3.236 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -5.807 13.053 -3.244 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -7.042 12.712 -4.439 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -7.523 13.041 -1.454 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -7.842 14.256 -2.677 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -9.939 13.370 -2.679 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -9.236 12.162 -3.735 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -10.435 11.002 -1.991 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -8.723 10.748 -1.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -10.251 11.439 0.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -8.705 12.129 0.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -10.071 13.009 -0.388 1.00 0.00 H new ATOM 1301 N THR A 84 -4.341 10.454 -3.974 1.00 0.00 N ATOM 1302 CA THR A 84 -3.369 9.979 -4.956 1.00 0.00 C ATOM 1303 C THR A 84 -3.109 8.478 -4.887 1.00 0.00 C ATOM 1304 O THR A 84 -3.335 7.756 -5.857 1.00 0.00 O ATOM 1305 CB THR A 84 -2.025 10.727 -4.811 1.00 0.00 C ATOM 1306 OG1 THR A 84 -2.227 12.134 -4.990 1.00 0.00 O ATOM 1307 CG2 THR A 84 -1.008 10.234 -5.832 1.00 0.00 C ATOM 0 H THR A 84 -3.935 10.765 -3.092 1.00 0.00 H new ATOM 0 HA THR A 84 -3.818 10.189 -5.927 1.00 0.00 H new ATOM 0 HB THR A 84 -1.639 10.531 -3.811 1.00 0.00 H new ATOM 0 HG1 THR A 84 -2.738 12.490 -4.233 1.00 0.00 H new ATOM 0 HG21 THR A 84 -0.072 10.779 -5.706 1.00 0.00 H new ATOM 0 HG22 THR A 84 -0.831 9.169 -5.684 1.00 0.00 H new ATOM 0 HG23 THR A 84 -1.392 10.401 -6.838 1.00 0.00 H new ATOM 1315 N LEU A 85 -2.673 8.006 -3.732 1.00 0.00 N ATOM 1316 CA LEU A 85 -2.348 6.593 -3.562 1.00 0.00 C ATOM 1317 C LEU A 85 -3.590 5.732 -3.389 1.00 0.00 C ATOM 1318 O LEU A 85 -3.733 4.708 -4.058 1.00 0.00 O ATOM 1319 CB LEU A 85 -1.412 6.387 -2.374 1.00 0.00 C ATOM 1320 CG LEU A 85 -1.032 4.928 -2.104 1.00 0.00 C ATOM 1321 CD1 LEU A 85 -0.161 4.387 -3.227 1.00 0.00 C ATOM 1322 CD2 LEU A 85 -0.330 4.791 -0.761 1.00 0.00 C ATOM 0 H LEU A 85 -2.535 8.576 -2.897 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.846 6.278 -4.477 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.501 6.960 -2.543 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.885 6.796 -1.481 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.948 4.338 -2.067 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.099 3.349 -3.018 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.706 4.442 -4.169 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.750 4.982 -3.300 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.070 3.746 -0.591 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.577 5.395 -0.761 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.994 5.133 0.033 1.00 0.00 H new ATOM 1334 N MET A 86 -4.494 6.131 -2.499 1.00 0.00 N ATOM 1335 CA MET A 86 -5.695 5.349 -2.285 1.00 0.00 C ATOM 1336 C MET A 86 -6.574 5.364 -3.531 1.00 0.00 C ATOM 1337 O MET A 86 -6.954 4.314 -4.047 1.00 0.00 O ATOM 1338 CB MET A 86 -6.460 5.890 -1.085 1.00 0.00 C ATOM 1339 CG MET A 86 -6.905 4.816 -0.114 1.00 0.00 C ATOM 1340 SD MET A 86 -8.621 4.329 -0.348 1.00 0.00 S ATOM 1341 CE MET A 86 -8.614 3.781 -2.049 1.00 0.00 C ATOM 0 H MET A 86 -4.417 6.973 -1.928 1.00 0.00 H new ATOM 0 HA MET A 86 -5.410 4.316 -2.084 1.00 0.00 H new ATOM 0 HB2 MET A 86 -5.831 6.607 -0.557 1.00 0.00 H new ATOM 0 HB3 MET A 86 -7.336 6.434 -1.438 1.00 0.00 H new ATOM 0 HG2 MET A 86 -6.265 3.941 -0.229 1.00 0.00 H new ATOM 0 HG3 MET A 86 -6.771 5.177 0.906 1.00 0.00 H new ATOM 0 HE1 MET A 86 -9.366 3.003 -2.184 1.00 0.00 H new ATOM 0 HE2 MET A 86 -8.841 4.623 -2.703 1.00 0.00 H new ATOM 0 HE3 MET A 86 -7.631 3.382 -2.299 1.00 0.00 H new ATOM 1351 N ALA A 87 -6.868 6.557 -4.035 1.00 0.00 N ATOM 1352 CA ALA A 87 -7.696 6.690 -5.228 1.00 0.00 C ATOM 1353 C ALA A 87 -7.043 6.006 -6.428 1.00 0.00 C ATOM 1354 O ALA A 87 -7.734 5.540 -7.335 1.00 0.00 O ATOM 1355 CB ALA A 87 -7.975 8.155 -5.517 1.00 0.00 C ATOM 0 H ALA A 87 -6.548 7.441 -3.639 1.00 0.00 H new ATOM 0 HA ALA A 87 -8.647 6.191 -5.043 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -8.594 8.238 -6.410 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -8.498 8.600 -4.670 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -7.033 8.680 -5.678 1.00 0.00 H new ATOM 1361 N ALA A 88 -5.710 5.957 -6.445 1.00 0.00 N ATOM 1362 CA ALA A 88 -4.997 5.297 -7.536 1.00 0.00 C ATOM 1363 C ALA A 88 -5.038 3.782 -7.359 1.00 0.00 C ATOM 1364 O ALA A 88 -5.631 3.072 -8.171 1.00 0.00 O ATOM 1365 CB ALA A 88 -3.561 5.783 -7.621 1.00 0.00 C ATOM 0 H ALA A 88 -5.110 6.361 -5.725 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.496 5.553 -8.471 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -3.053 5.276 -8.441 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.551 6.859 -7.798 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.047 5.564 -6.685 1.00 0.00 H new ATOM 1371 N GLY A 89 -4.412 3.289 -6.287 1.00 0.00 N ATOM 1372 CA GLY A 89 -4.408 1.854 -6.018 1.00 0.00 C ATOM 1373 C GLY A 89 -5.784 1.247 -6.199 1.00 0.00 C ATOM 1374 O GLY A 89 -5.939 0.203 -6.828 1.00 0.00 O ATOM 0 H GLY A 89 -3.910 3.854 -5.603 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -3.702 1.360 -6.686 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -4.062 1.675 -5.000 1.00 0.00 H new ATOM 1378 N ASP A 90 -6.789 1.941 -5.688 1.00 0.00 N ATOM 1379 CA ASP A 90 -8.179 1.504 -5.782 1.00 0.00 C ATOM 1380 C ASP A 90 -8.793 1.884 -7.135 1.00 0.00 C ATOM 1381 O ASP A 90 -9.941 2.306 -7.192 1.00 0.00 O ATOM 1382 CB ASP A 90 -9.007 2.067 -4.621 1.00 0.00 C ATOM 1383 CG ASP A 90 -9.454 3.502 -4.836 1.00 0.00 C ATOM 1384 OD1 ASP A 90 -8.909 4.162 -5.744 1.00 0.00 O ATOM 1385 OD2 ASP A 90 -10.351 3.962 -4.099 1.00 0.00 O ATOM 0 H ASP A 90 -6.667 2.825 -5.195 1.00 0.00 H new ATOM 0 HA ASP A 90 -8.193 0.416 -5.710 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -9.886 1.439 -4.474 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -8.419 2.011 -3.705 1.00 0.00 H new ATOM 1390 N LYS A 91 -8.004 1.754 -8.206 1.00 0.00 N ATOM 1391 CA LYS A 91 -8.399 2.102 -9.566 1.00 0.00 C ATOM 1392 C LYS A 91 -9.893 1.970 -9.829 1.00 0.00 C ATOM 1393 O LYS A 91 -10.467 2.774 -10.563 1.00 0.00 O ATOM 1394 CB LYS A 91 -7.627 1.173 -10.483 1.00 0.00 C ATOM 1395 CG LYS A 91 -7.916 1.350 -11.948 1.00 0.00 C ATOM 1396 CD LYS A 91 -9.112 0.526 -12.389 1.00 0.00 C ATOM 1397 CE LYS A 91 -9.292 0.563 -13.897 1.00 0.00 C ATOM 1398 NZ LYS A 91 -8.164 -0.099 -14.605 1.00 0.00 N ATOM 0 H LYS A 91 -7.051 1.395 -8.145 1.00 0.00 H new ATOM 0 HA LYS A 91 -8.173 3.154 -9.740 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -6.561 1.325 -10.316 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -7.850 0.143 -10.205 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -8.103 2.403 -12.157 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -7.040 1.060 -12.529 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -8.984 -0.506 -12.063 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -10.013 0.904 -11.905 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -10.227 0.071 -14.163 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -9.371 1.598 -14.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -8.445 -0.312 -15.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -7.339 0.534 -14.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -7.918 -0.983 -14.116 1.00 0.00 H new ATOM 1412 N ASP A 92 -10.525 0.973 -9.242 1.00 0.00 N ATOM 1413 CA ASP A 92 -11.963 0.784 -9.438 1.00 0.00 C ATOM 1414 C ASP A 92 -12.743 2.049 -9.055 1.00 0.00 C ATOM 1415 O ASP A 92 -13.899 2.215 -9.447 1.00 0.00 O ATOM 1416 CB ASP A 92 -12.463 -0.407 -8.619 1.00 0.00 C ATOM 1417 CG ASP A 92 -11.874 -1.723 -9.090 1.00 0.00 C ATOM 1418 OD1 ASP A 92 -10.743 -2.048 -8.674 1.00 0.00 O ATOM 1419 OD2 ASP A 92 -12.541 -2.426 -9.878 1.00 0.00 O ATOM 0 H ASP A 92 -10.081 0.286 -8.633 1.00 0.00 H new ATOM 0 HA ASP A 92 -12.133 0.583 -10.496 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -12.210 -0.254 -7.570 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -13.550 -0.456 -8.681 1.00 0.00 H new ATOM 1424 N GLY A 93 -12.105 2.933 -8.288 1.00 0.00 N ATOM 1425 CA GLY A 93 -12.730 4.180 -7.883 1.00 0.00 C ATOM 1426 C GLY A 93 -13.786 3.990 -6.816 1.00 0.00 C ATOM 1427 O GLY A 93 -14.916 4.452 -6.961 1.00 0.00 O ATOM 0 H GLY A 93 -11.156 2.803 -7.938 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -11.964 4.861 -7.512 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -13.182 4.654 -8.754 1.00 0.00 H new ATOM 1431 N ASP A 94 -13.415 3.310 -5.737 1.00 0.00 N ATOM 1432 CA ASP A 94 -14.338 3.066 -4.638 1.00 0.00 C ATOM 1433 C ASP A 94 -13.933 3.846 -3.388 1.00 0.00 C ATOM 1434 O ASP A 94 -14.587 3.739 -2.350 1.00 0.00 O ATOM 1435 CB ASP A 94 -14.399 1.572 -4.320 1.00 0.00 C ATOM 1436 CG ASP A 94 -14.885 0.747 -5.494 1.00 0.00 C ATOM 1437 OD1 ASP A 94 -14.080 0.493 -6.413 1.00 0.00 O ATOM 1438 OD2 ASP A 94 -16.071 0.354 -5.493 1.00 0.00 O ATOM 0 H ASP A 94 -12.483 2.919 -5.601 1.00 0.00 H new ATOM 0 HA ASP A 94 -15.324 3.410 -4.949 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -13.409 1.227 -4.023 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -15.061 1.412 -3.469 1.00 0.00 H new ATOM 1443 N GLY A 95 -12.854 4.629 -3.479 1.00 0.00 N ATOM 1444 CA GLY A 95 -12.407 5.394 -2.329 1.00 0.00 C ATOM 1445 C GLY A 95 -11.895 4.524 -1.203 1.00 0.00 C ATOM 1446 O GLY A 95 -11.664 4.997 -0.091 1.00 0.00 O ATOM 0 H GLY A 95 -12.290 4.744 -4.321 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -11.618 6.079 -2.640 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -13.232 6.004 -1.963 1.00 0.00 H new ATOM 1450 N LYS A 96 -11.724 3.253 -1.498 1.00 0.00 N ATOM 1451 CA LYS A 96 -11.255 2.287 -0.515 1.00 0.00 C ATOM 1452 C LYS A 96 -10.493 1.153 -1.192 1.00 0.00 C ATOM 1453 O LYS A 96 -10.583 0.976 -2.407 1.00 0.00 O ATOM 1454 CB LYS A 96 -12.453 1.734 0.258 1.00 0.00 C ATOM 1455 CG LYS A 96 -13.461 2.811 0.620 1.00 0.00 C ATOM 1456 CD LYS A 96 -14.605 2.256 1.447 1.00 0.00 C ATOM 1457 CE LYS A 96 -15.687 3.301 1.655 1.00 0.00 C ATOM 1458 NZ LYS A 96 -16.683 2.873 2.677 1.00 0.00 N ATOM 0 H LYS A 96 -11.904 2.857 -2.421 1.00 0.00 H new ATOM 0 HA LYS A 96 -10.574 2.784 0.175 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -12.945 0.967 -0.341 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -12.101 1.250 1.169 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -12.962 3.604 1.176 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -13.856 3.261 -0.291 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -15.028 1.384 0.949 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -14.229 1.920 2.413 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -15.230 4.241 1.965 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -16.195 3.491 0.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -17.155 3.711 3.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -17.392 2.254 2.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -16.199 2.355 3.438 1.00 0.00 H new ATOM 1472 N ILE A 97 -9.744 0.388 -0.406 1.00 0.00 N ATOM 1473 CA ILE A 97 -8.971 -0.724 -0.947 1.00 0.00 C ATOM 1474 C ILE A 97 -9.282 -2.028 -0.225 1.00 0.00 C ATOM 1475 O ILE A 97 -9.050 -2.157 0.978 1.00 0.00 O ATOM 1476 CB ILE A 97 -7.451 -0.453 -0.866 1.00 0.00 C ATOM 1477 CG1 ILE A 97 -7.087 0.790 -1.677 1.00 0.00 C ATOM 1478 CG2 ILE A 97 -6.657 -1.657 -1.363 1.00 0.00 C ATOM 1479 CD1 ILE A 97 -5.597 1.033 -1.770 1.00 0.00 C ATOM 0 H ILE A 97 -9.656 0.516 0.602 1.00 0.00 H new ATOM 0 HA ILE A 97 -9.261 -0.819 -1.993 1.00 0.00 H new ATOM 0 HB ILE A 97 -7.193 -0.279 0.179 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -7.495 0.690 -2.683 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -7.562 1.661 -1.225 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -5.590 -1.442 -1.296 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -6.891 -2.526 -0.748 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -6.921 -1.864 -2.400 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -5.411 1.931 -2.359 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -5.187 1.165 -0.769 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -5.118 0.179 -2.249 1.00 0.00 H new ATOM 1491 N GLY A 98 -9.808 -2.991 -0.970 1.00 0.00 N ATOM 1492 CA GLY A 98 -10.116 -4.286 -0.398 1.00 0.00 C ATOM 1493 C GLY A 98 -9.319 -5.386 -1.061 1.00 0.00 C ATOM 1494 O GLY A 98 -8.493 -5.122 -1.935 1.00 0.00 O ATOM 0 H GLY A 98 -10.027 -2.898 -1.962 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -9.902 -4.273 0.671 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -11.181 -4.490 -0.508 1.00 0.00 H new ATOM 1498 N VAL A 99 -9.564 -6.615 -0.651 1.00 0.00 N ATOM 1499 CA VAL A 99 -8.847 -7.758 -1.205 1.00 0.00 C ATOM 1500 C VAL A 99 -8.878 -7.744 -2.734 1.00 0.00 C ATOM 1501 O VAL A 99 -7.927 -8.168 -3.389 1.00 0.00 O ATOM 1502 CB VAL A 99 -9.427 -9.090 -0.685 1.00 0.00 C ATOM 1503 CG1 VAL A 99 -10.783 -9.385 -1.310 1.00 0.00 C ATOM 1504 CG2 VAL A 99 -8.454 -10.230 -0.942 1.00 0.00 C ATOM 0 H VAL A 99 -10.253 -6.853 0.063 1.00 0.00 H new ATOM 0 HA VAL A 99 -7.811 -7.676 -0.875 1.00 0.00 H new ATOM 0 HB VAL A 99 -9.573 -8.996 0.391 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -11.164 -10.330 -0.923 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -11.480 -8.584 -1.063 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -10.678 -9.453 -2.393 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -8.879 -11.162 -0.569 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -8.271 -10.318 -2.013 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -7.514 -10.029 -0.428 1.00 0.00 H new ATOM 1514 N GLU A 100 -9.981 -7.255 -3.291 1.00 0.00 N ATOM 1515 CA GLU A 100 -10.150 -7.192 -4.741 1.00 0.00 C ATOM 1516 C GLU A 100 -9.266 -6.122 -5.381 1.00 0.00 C ATOM 1517 O GLU A 100 -8.539 -6.397 -6.336 1.00 0.00 O ATOM 1518 CB GLU A 100 -11.611 -6.928 -5.092 1.00 0.00 C ATOM 1519 CG GLU A 100 -12.129 -5.632 -4.518 1.00 0.00 C ATOM 1520 CD GLU A 100 -13.634 -5.495 -4.636 1.00 0.00 C ATOM 1521 OE1 GLU A 100 -14.346 -5.974 -3.729 1.00 0.00 O ATOM 1522 OE2 GLU A 100 -14.101 -4.908 -5.635 1.00 0.00 O ATOM 0 H GLU A 100 -10.774 -6.895 -2.760 1.00 0.00 H new ATOM 0 HA GLU A 100 -9.843 -8.158 -5.141 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -11.721 -6.909 -6.176 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -12.222 -7.752 -4.724 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -11.844 -5.566 -3.468 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -11.652 -4.797 -5.031 1.00 0.00 H new ATOM 1529 N GLU A 101 -9.332 -4.904 -4.852 1.00 0.00 N ATOM 1530 CA GLU A 101 -8.561 -3.790 -5.396 1.00 0.00 C ATOM 1531 C GLU A 101 -7.072 -3.898 -5.065 1.00 0.00 C ATOM 1532 O GLU A 101 -6.230 -3.453 -5.842 1.00 0.00 O ATOM 1533 CB GLU A 101 -9.131 -2.461 -4.889 1.00 0.00 C ATOM 1534 CG GLU A 101 -10.513 -2.159 -5.442 1.00 0.00 C ATOM 1535 CD GLU A 101 -10.974 -0.749 -5.132 1.00 0.00 C ATOM 1536 OE1 GLU A 101 -11.545 -0.536 -4.043 1.00 0.00 O ATOM 1537 OE2 GLU A 101 -10.768 0.142 -5.983 1.00 0.00 O ATOM 0 H GLU A 101 -9.911 -4.663 -4.048 1.00 0.00 H new ATOM 0 HA GLU A 101 -8.648 -3.830 -6.482 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -9.178 -2.484 -3.800 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -8.452 -1.653 -5.162 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -10.507 -2.305 -6.522 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -11.228 -2.870 -5.028 1.00 0.00 H new ATOM 1544 N PHE A 102 -6.744 -4.495 -3.923 1.00 0.00 N ATOM 1545 CA PHE A 102 -5.344 -4.639 -3.524 1.00 0.00 C ATOM 1546 C PHE A 102 -4.535 -5.286 -4.642 1.00 0.00 C ATOM 1547 O PHE A 102 -3.320 -5.110 -4.727 1.00 0.00 O ATOM 1548 CB PHE A 102 -5.223 -5.465 -2.241 1.00 0.00 C ATOM 1549 CG PHE A 102 -4.063 -5.066 -1.385 1.00 0.00 C ATOM 1550 CD1 PHE A 102 -2.813 -5.578 -1.638 1.00 0.00 C ATOM 1551 CD2 PHE A 102 -4.223 -4.182 -0.329 1.00 0.00 C ATOM 1552 CE1 PHE A 102 -1.727 -5.223 -0.862 1.00 0.00 C ATOM 1553 CE2 PHE A 102 -3.144 -3.819 0.455 1.00 0.00 C ATOM 1554 CZ PHE A 102 -1.893 -4.341 0.188 1.00 0.00 C ATOM 0 H PHE A 102 -7.418 -4.883 -3.263 1.00 0.00 H new ATOM 0 HA PHE A 102 -4.945 -3.643 -3.331 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -6.142 -5.364 -1.664 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -5.126 -6.518 -2.504 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -2.678 -6.269 -2.457 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -5.200 -3.773 -0.117 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -0.751 -5.634 -1.075 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -3.279 -3.129 1.275 1.00 0.00 H new ATOM 0 HZ PHE A 102 -1.047 -4.060 0.798 1.00 0.00 H new ATOM 1564 N SER A 103 -5.210 -6.055 -5.484 1.00 0.00 N ATOM 1565 CA SER A 103 -4.554 -6.687 -6.619 1.00 0.00 C ATOM 1566 C SER A 103 -4.370 -5.658 -7.724 1.00 0.00 C ATOM 1567 O SER A 103 -3.336 -5.616 -8.392 1.00 0.00 O ATOM 1568 CB SER A 103 -5.383 -7.869 -7.126 1.00 0.00 C ATOM 1569 OG SER A 103 -4.755 -8.496 -8.232 1.00 0.00 O ATOM 0 H SER A 103 -6.207 -6.256 -5.403 1.00 0.00 H new ATOM 0 HA SER A 103 -3.580 -7.065 -6.308 1.00 0.00 H new ATOM 0 HB2 SER A 103 -5.519 -8.593 -6.323 1.00 0.00 H new ATOM 0 HB3 SER A 103 -6.376 -7.524 -7.415 1.00 0.00 H new ATOM 0 HG SER A 103 -5.304 -9.249 -8.536 1.00 0.00 H new ATOM 1575 N THR A 104 -5.379 -4.809 -7.889 1.00 0.00 N ATOM 1576 CA THR A 104 -5.348 -3.768 -8.904 1.00 0.00 C ATOM 1577 C THR A 104 -4.207 -2.790 -8.647 1.00 0.00 C ATOM 1578 O THR A 104 -3.492 -2.408 -9.574 1.00 0.00 O ATOM 1579 CB THR A 104 -6.680 -2.992 -8.956 1.00 0.00 C ATOM 1580 OG1 THR A 104 -7.774 -3.883 -8.714 1.00 0.00 O ATOM 1581 CG2 THR A 104 -6.864 -2.321 -10.311 1.00 0.00 C ATOM 0 H THR A 104 -6.231 -4.824 -7.329 1.00 0.00 H new ATOM 0 HA THR A 104 -5.191 -4.262 -9.863 1.00 0.00 H new ATOM 0 HB THR A 104 -6.656 -2.222 -8.184 1.00 0.00 H new ATOM 0 HG1 THR A 104 -8.616 -3.383 -8.747 1.00 0.00 H new ATOM 0 HG21 THR A 104 -7.810 -1.780 -10.324 1.00 0.00 H new ATOM 0 HG22 THR A 104 -6.045 -1.624 -10.486 1.00 0.00 H new ATOM 0 HG23 THR A 104 -6.869 -3.079 -11.095 1.00 0.00 H new ATOM 1589 N LEU A 105 -4.025 -2.393 -7.385 1.00 0.00 N ATOM 1590 CA LEU A 105 -2.960 -1.445 -7.043 1.00 0.00 C ATOM 1591 C LEU A 105 -1.629 -1.927 -7.610 1.00 0.00 C ATOM 1592 O LEU A 105 -0.740 -1.126 -7.894 1.00 0.00 O ATOM 1593 CB LEU A 105 -2.814 -1.206 -5.524 1.00 0.00 C ATOM 1594 CG LEU A 105 -3.706 -2.008 -4.590 1.00 0.00 C ATOM 1595 CD1 LEU A 105 -3.100 -2.028 -3.195 1.00 0.00 C ATOM 1596 CD2 LEU A 105 -5.101 -1.404 -4.552 1.00 0.00 C ATOM 0 H LEU A 105 -4.590 -2.706 -6.595 1.00 0.00 H new ATOM 0 HA LEU A 105 -3.244 -0.492 -7.489 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -1.778 -1.407 -5.252 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.994 -0.148 -5.333 1.00 0.00 H new ATOM 0 HG LEU A 105 -3.782 -3.031 -4.958 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -3.742 -2.604 -2.528 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -2.112 -2.487 -3.234 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -3.011 -1.008 -2.822 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -5.731 -1.986 -3.880 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -5.043 -0.376 -4.195 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -5.530 -1.416 -5.554 1.00 0.00 H new ATOM 1608 N VAL A 106 -1.499 -3.240 -7.774 1.00 0.00 N ATOM 1609 CA VAL A 106 -0.276 -3.815 -8.317 1.00 0.00 C ATOM 1610 C VAL A 106 -0.134 -3.440 -9.782 1.00 0.00 C ATOM 1611 O VAL A 106 0.972 -3.237 -10.285 1.00 0.00 O ATOM 1612 CB VAL A 106 -0.264 -5.349 -8.188 1.00 0.00 C ATOM 1613 CG1 VAL A 106 1.074 -5.913 -8.635 1.00 0.00 C ATOM 1614 CG2 VAL A 106 -0.577 -5.768 -6.761 1.00 0.00 C ATOM 0 H VAL A 106 -2.221 -3.921 -7.540 1.00 0.00 H new ATOM 0 HA VAL A 106 0.559 -3.414 -7.743 1.00 0.00 H new ATOM 0 HB VAL A 106 -1.038 -5.755 -8.839 1.00 0.00 H new ATOM 0 HG11 VAL A 106 1.063 -6.998 -8.536 1.00 0.00 H new ATOM 0 HG12 VAL A 106 1.252 -5.645 -9.676 1.00 0.00 H new ATOM 0 HG13 VAL A 106 1.869 -5.501 -8.013 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -0.564 -6.856 -6.690 1.00 0.00 H new ATOM 0 HG22 VAL A 106 0.171 -5.351 -6.087 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -1.563 -5.398 -6.481 1.00 0.00 H new ATOM 1624 N ALA A 107 -1.271 -3.354 -10.463 1.00 0.00 N ATOM 1625 CA ALA A 107 -1.300 -2.995 -11.871 1.00 0.00 C ATOM 1626 C ALA A 107 -1.184 -1.484 -12.046 1.00 0.00 C ATOM 1627 O ALA A 107 -0.704 -1.001 -13.071 1.00 0.00 O ATOM 1628 CB ALA A 107 -2.581 -3.512 -12.507 1.00 0.00 C ATOM 0 H ALA A 107 -2.190 -3.530 -10.057 1.00 0.00 H new ATOM 0 HA ALA A 107 -0.447 -3.456 -12.369 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -2.598 -3.241 -13.563 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -2.623 -4.597 -12.411 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -3.441 -3.070 -12.004 1.00 0.00 H new ATOM 1634 N GLU A 108 -1.625 -0.745 -11.033 1.00 0.00 N ATOM 1635 CA GLU A 108 -1.571 0.712 -11.060 1.00 0.00 C ATOM 1636 C GLU A 108 -0.144 1.207 -11.240 1.00 0.00 C ATOM 1637 O GLU A 108 0.269 1.575 -12.340 1.00 0.00 O ATOM 1638 CB GLU A 108 -2.139 1.294 -9.764 1.00 0.00 C ATOM 1639 CG GLU A 108 -3.654 1.415 -9.752 1.00 0.00 C ATOM 1640 CD GLU A 108 -4.357 0.087 -9.945 1.00 0.00 C ATOM 1641 OE1 GLU A 108 -4.149 -0.550 -11.000 1.00 0.00 O ATOM 1642 OE2 GLU A 108 -5.117 -0.314 -9.041 1.00 0.00 O ATOM 0 H GLU A 108 -2.026 -1.134 -10.179 1.00 0.00 H new ATOM 0 HA GLU A 108 -2.171 1.044 -11.907 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -1.828 0.666 -8.929 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -1.705 2.280 -9.600 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -3.970 1.853 -8.805 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -3.964 2.102 -10.540 1.00 0.00 H new ATOM 1649 N SER A 109 0.605 1.207 -10.144 1.00 0.00 N ATOM 1650 CA SER A 109 1.988 1.662 -10.161 1.00 0.00 C ATOM 1651 C SER A 109 2.785 0.944 -11.245 1.00 0.00 C ATOM 1652 O SER A 109 3.298 -0.161 -10.969 1.00 0.00 O ATOM 1653 CB SER A 109 2.632 1.435 -8.793 1.00 0.00 C ATOM 1654 OG SER A 109 4.027 1.648 -8.846 1.00 0.00 O ATOM 1655 OXT SER A 109 2.888 1.491 -12.362 1.00 0.00 O ATOM 0 H SER A 109 0.276 0.896 -9.230 1.00 0.00 H new ATOM 0 HA SER A 109 1.995 2.729 -10.385 1.00 0.00 H new ATOM 0 HB2 SER A 109 2.186 2.108 -8.061 1.00 0.00 H new ATOM 0 HB3 SER A 109 2.429 0.418 -8.456 1.00 0.00 H new ATOM 0 HG SER A 109 4.249 2.480 -8.378 1.00 0.00 H new TER 1661 SER A 109