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= -0.0398 K(o=-2.7,f=-3.3) USER MOD Set 1.2: A 109 SER OG : rot 133:sc= -2.61! USER MOD Set 2.1: A 54 LYS NZ :NH3+ 176:sc= 0.558 (180deg=0.363) USER MOD Set 2.2: A 55 SER OG : rot 180:sc= -0.121 USER MOD Set 3.1: A 37 LYS NZ :NH3+ -120:sc= 0 (180deg=0) USER MOD Set 3.2: A 38 LYS NZ :NH3+ -121:sc= 0 (180deg=0) USER MOD Single : A 1 SER N :NH3+ 136:sc= 0.0201 (180deg=0) USER MOD Single : A 1 SER OG : rot -75:sc= 0.0873 USER MOD Single : A 2 MET CE :methyl -150:sc= -2.11! (180deg=-4.16!) USER MOD Single : A 3 THR OG1 : rot 180:sc=0.000857 USER MOD Single : A 7 SER OG : rot 28:sc= -3.04! USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 173:sc= -1.44! (180deg=-1.46!) USER MOD Single : A 19 THR OG1 : rot 15:sc= 0.293 USER MOD Single : A 23 SER OG : rot -170:sc= -1.09 USER MOD Single : A 26 HIS : no HD1:sc= -9.03! C(o=-9!,f=-7.9!) USER MOD Single : A 27 LYS NZ :NH3+ -168:sc= -2.51! (180deg=-2.87!) USER MOD Single : A 28 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.59) USER MOD Single : A 32 MET CE :methyl 166:sc= -2.46! (180deg=-2.86!) USER MOD Single : A 36 LYS NZ :NH3+ -116:sc= -3.29! (180deg=-7.39!) USER MOD Single : A 39 SER OG : rot -9:sc= 1.08 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -151:sc= -0.0294 (180deg=-1.14) USER MOD Single : A 48 HIS : no HD1:sc= -0.597 K(o=-0.6,f=-1.5) USER MOD Single : A 52 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00693) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -139:sc= -2.52 (180deg=-4.53!) USER MOD Single : A 71 SER OG : rot -74:sc= -0.348 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot -85:sc= 1.27 USER MOD Single : A 83 LYS NZ :NH3+ 138:sc= -1.52! (180deg=-1.94) USER MOD Single : A 84 THR OG1 : rot 102:sc= 1.08 USER MOD Single : A 86 MET CE :methyl 145:sc= -10.6! (180deg=-15.9!) USER MOD Single : A 91 LYS NZ :NH3+ 157:sc= -0.0159 (180deg=-0.225) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot -89:sc= 1.07 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 4.861 -6.723 10.166 1.00 0.00 N ATOM 2 CA SER A 1 5.095 -6.110 8.833 1.00 0.00 C ATOM 3 C SER A 1 5.263 -7.183 7.762 1.00 0.00 C ATOM 4 O SER A 1 5.835 -8.244 8.014 1.00 0.00 O ATOM 5 CB SER A 1 6.337 -5.218 8.875 1.00 0.00 C ATOM 6 OG SER A 1 6.186 -4.179 9.827 1.00 0.00 O ATOM 0 H1 SER A 1 5.437 -6.232 10.880 1.00 0.00 H new ATOM 0 H2 SER A 1 3.855 -6.638 10.415 1.00 0.00 H new ATOM 0 H3 SER A 1 5.127 -7.728 10.138 1.00 0.00 H new ATOM 0 HA SER A 1 4.225 -5.504 8.580 1.00 0.00 H new ATOM 0 HB2 SER A 1 7.212 -5.819 9.123 1.00 0.00 H new ATOM 0 HB3 SER A 1 6.514 -4.789 7.889 1.00 0.00 H new ATOM 0 HG SER A 1 5.575 -3.499 9.474 1.00 0.00 H new ATOM 14 N MET A 2 4.760 -6.899 6.564 1.00 0.00 N ATOM 15 CA MET A 2 4.846 -7.839 5.452 1.00 0.00 C ATOM 16 C MET A 2 6.230 -7.801 4.807 1.00 0.00 C ATOM 17 O MET A 2 6.386 -7.356 3.671 1.00 0.00 O ATOM 18 CB MET A 2 3.768 -7.525 4.412 1.00 0.00 C ATOM 19 CG MET A 2 3.797 -8.436 3.194 1.00 0.00 C ATOM 20 SD MET A 2 2.817 -9.939 3.406 1.00 0.00 S ATOM 21 CE MET A 2 3.695 -10.752 4.739 1.00 0.00 C ATOM 0 H MET A 2 4.288 -6.023 6.339 1.00 0.00 H new ATOM 0 HA MET A 2 4.682 -8.844 5.842 1.00 0.00 H new ATOM 0 HB2 MET A 2 2.789 -7.600 4.885 1.00 0.00 H new ATOM 0 HB3 MET A 2 3.885 -6.492 4.083 1.00 0.00 H new ATOM 0 HG2 MET A 2 3.426 -7.887 2.329 1.00 0.00 H new ATOM 0 HG3 MET A 2 4.830 -8.711 2.978 1.00 0.00 H new ATOM 0 HE1 MET A 2 3.589 -11.832 4.639 1.00 0.00 H new ATOM 0 HE2 MET A 2 4.751 -10.485 4.695 1.00 0.00 H new ATOM 0 HE3 MET A 2 3.280 -10.434 5.695 1.00 0.00 H new ATOM 31 N THR A 3 7.234 -8.268 5.546 1.00 0.00 N ATOM 32 CA THR A 3 8.608 -8.293 5.051 1.00 0.00 C ATOM 33 C THR A 3 9.045 -9.710 4.681 1.00 0.00 C ATOM 34 O THR A 3 10.050 -9.895 3.993 1.00 0.00 O ATOM 35 CB THR A 3 9.592 -7.727 6.090 1.00 0.00 C ATOM 36 OG1 THR A 3 9.266 -8.220 7.394 1.00 0.00 O ATOM 37 CG2 THR A 3 9.566 -6.206 6.095 1.00 0.00 C ATOM 0 H THR A 3 7.121 -8.635 6.491 1.00 0.00 H new ATOM 0 HA THR A 3 8.626 -7.667 4.159 1.00 0.00 H new ATOM 0 HB THR A 3 10.596 -8.054 5.819 1.00 0.00 H new ATOM 0 HG1 THR A 3 9.898 -7.856 8.049 1.00 0.00 H new ATOM 0 HG21 THR A 3 10.270 -5.833 6.838 1.00 0.00 H new ATOM 0 HG22 THR A 3 9.847 -5.834 5.110 1.00 0.00 H new ATOM 0 HG23 THR A 3 8.562 -5.860 6.341 1.00 0.00 H new ATOM 45 N ASP A 4 8.292 -10.707 5.139 1.00 0.00 N ATOM 46 CA ASP A 4 8.612 -12.099 4.849 1.00 0.00 C ATOM 47 C ASP A 4 8.288 -12.431 3.404 1.00 0.00 C ATOM 48 O ASP A 4 9.069 -13.083 2.709 1.00 0.00 O ATOM 49 CB ASP A 4 7.817 -13.032 5.763 1.00 0.00 C ATOM 50 CG ASP A 4 7.755 -12.526 7.191 1.00 0.00 C ATOM 51 OD1 ASP A 4 6.829 -11.750 7.506 1.00 0.00 O ATOM 52 OD2 ASP A 4 8.632 -12.907 7.993 1.00 0.00 O ATOM 0 H ASP A 4 7.458 -10.576 5.711 1.00 0.00 H new ATOM 0 HA ASP A 4 9.679 -12.240 5.023 1.00 0.00 H new ATOM 0 HB2 ASP A 4 6.804 -13.141 5.375 1.00 0.00 H new ATOM 0 HB3 ASP A 4 8.271 -14.023 5.751 1.00 0.00 H new ATOM 57 N LEU A 5 7.127 -11.974 2.958 1.00 0.00 N ATOM 58 CA LEU A 5 6.668 -12.227 1.618 1.00 0.00 C ATOM 59 C LEU A 5 7.183 -11.169 0.648 1.00 0.00 C ATOM 60 O LEU A 5 7.794 -11.491 -0.369 1.00 0.00 O ATOM 61 CB LEU A 5 5.153 -12.249 1.634 1.00 0.00 C ATOM 62 CG LEU A 5 4.520 -13.365 0.813 1.00 0.00 C ATOM 63 CD1 LEU A 5 3.009 -13.276 0.875 1.00 0.00 C ATOM 64 CD2 LEU A 5 5.009 -13.316 -0.625 1.00 0.00 C ATOM 0 H LEU A 5 6.484 -11.419 3.522 1.00 0.00 H new ATOM 0 HA LEU A 5 7.053 -13.187 1.275 1.00 0.00 H new ATOM 0 HB2 LEU A 5 4.816 -12.341 2.667 1.00 0.00 H new ATOM 0 HB3 LEU A 5 4.786 -11.292 1.263 1.00 0.00 H new ATOM 0 HG LEU A 5 4.822 -14.322 1.239 1.00 0.00 H new ATOM 0 HD11 LEU A 5 2.573 -14.081 0.283 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.681 -13.368 1.910 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.684 -12.315 0.476 1.00 0.00 H new ATOM 0 HD21 LEU A 5 4.545 -14.121 -1.195 1.00 0.00 H new ATOM 0 HD22 LEU A 5 4.741 -12.357 -1.068 1.00 0.00 H new ATOM 0 HD23 LEU A 5 6.092 -13.435 -0.645 1.00 0.00 H new ATOM 76 N LEU A 6 6.935 -9.903 0.970 1.00 0.00 N ATOM 77 CA LEU A 6 7.387 -8.802 0.126 1.00 0.00 C ATOM 78 C LEU A 6 8.886 -8.605 0.278 1.00 0.00 C ATOM 79 O LEU A 6 9.463 -8.938 1.312 1.00 0.00 O ATOM 80 CB LEU A 6 6.670 -7.503 0.499 1.00 0.00 C ATOM 81 CG LEU A 6 5.160 -7.502 0.287 1.00 0.00 C ATOM 82 CD1 LEU A 6 4.549 -6.246 0.879 1.00 0.00 C ATOM 83 CD2 LEU A 6 4.830 -7.619 -1.196 1.00 0.00 C ATOM 0 H LEU A 6 6.426 -9.615 1.806 1.00 0.00 H new ATOM 0 HA LEU A 6 7.154 -9.053 -0.909 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.872 -7.285 1.548 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.102 -6.690 -0.084 1.00 0.00 H new ATOM 0 HG LEU A 6 4.733 -8.365 0.798 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.471 -6.257 0.721 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.759 -6.208 1.948 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.978 -5.369 0.394 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.748 -7.617 -1.329 1.00 0.00 H new ATOM 0 HD22 LEU A 6 5.263 -6.775 -1.733 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.242 -8.549 -1.588 1.00 0.00 H new ATOM 95 N SER A 7 9.520 -8.066 -0.757 1.00 0.00 N ATOM 96 CA SER A 7 10.952 -7.821 -0.710 1.00 0.00 C ATOM 97 C SER A 7 11.292 -6.960 0.504 1.00 0.00 C ATOM 98 O SER A 7 10.961 -5.777 0.547 1.00 0.00 O ATOM 99 CB SER A 7 11.408 -7.125 -1.989 1.00 0.00 C ATOM 100 OG SER A 7 10.514 -6.088 -2.342 1.00 0.00 O ATOM 0 H SER A 7 9.068 -7.793 -1.630 1.00 0.00 H new ATOM 0 HA SER A 7 11.472 -8.775 -0.626 1.00 0.00 H new ATOM 0 HB2 SER A 7 12.409 -6.717 -1.849 1.00 0.00 H new ATOM 0 HB3 SER A 7 11.470 -7.850 -2.801 1.00 0.00 H new ATOM 0 HG SER A 7 10.082 -5.740 -1.534 1.00 0.00 H new ATOM 106 N ALA A 8 11.969 -7.555 1.481 1.00 0.00 N ATOM 107 CA ALA A 8 12.332 -6.847 2.705 1.00 0.00 C ATOM 108 C ALA A 8 13.332 -5.727 2.442 1.00 0.00 C ATOM 109 O ALA A 8 13.203 -4.628 2.982 1.00 0.00 O ATOM 110 CB ALA A 8 12.895 -7.822 3.728 1.00 0.00 C ATOM 0 H ALA A 8 12.278 -8.527 1.449 1.00 0.00 H new ATOM 0 HA ALA A 8 11.425 -6.390 3.100 1.00 0.00 H new ATOM 0 HB1 ALA A 8 13.162 -7.282 4.637 1.00 0.00 H new ATOM 0 HB2 ALA A 8 12.145 -8.577 3.962 1.00 0.00 H new ATOM 0 HB3 ALA A 8 13.782 -8.306 3.320 1.00 0.00 H new ATOM 116 N GLU A 9 14.331 -6.009 1.616 1.00 0.00 N ATOM 117 CA GLU A 9 15.357 -5.026 1.291 1.00 0.00 C ATOM 118 C GLU A 9 14.758 -3.829 0.551 1.00 0.00 C ATOM 119 O GLU A 9 15.085 -2.678 0.841 1.00 0.00 O ATOM 120 CB GLU A 9 16.456 -5.679 0.450 1.00 0.00 C ATOM 121 CG GLU A 9 15.974 -6.182 -0.900 1.00 0.00 C ATOM 122 CD GLU A 9 17.043 -6.951 -1.651 1.00 0.00 C ATOM 123 OE1 GLU A 9 17.160 -8.176 -1.432 1.00 0.00 O ATOM 124 OE2 GLU A 9 17.765 -6.329 -2.460 1.00 0.00 O ATOM 0 H GLU A 9 14.453 -6.912 1.158 1.00 0.00 H new ATOM 0 HA GLU A 9 15.790 -4.660 2.222 1.00 0.00 H new ATOM 0 HB2 GLU A 9 17.259 -4.958 0.294 1.00 0.00 H new ATOM 0 HB3 GLU A 9 16.881 -6.513 1.008 1.00 0.00 H new ATOM 0 HG2 GLU A 9 15.104 -6.823 -0.755 1.00 0.00 H new ATOM 0 HG3 GLU A 9 15.649 -5.335 -1.504 1.00 0.00 H new ATOM 131 N ASP A 10 13.874 -4.114 -0.398 1.00 0.00 N ATOM 132 CA ASP A 10 13.224 -3.072 -1.191 1.00 0.00 C ATOM 133 C ASP A 10 12.385 -2.143 -0.324 1.00 0.00 C ATOM 134 O ASP A 10 12.543 -0.923 -0.358 1.00 0.00 O ATOM 135 CB ASP A 10 12.301 -3.721 -2.210 1.00 0.00 C ATOM 136 CG ASP A 10 13.041 -4.613 -3.187 1.00 0.00 C ATOM 137 OD1 ASP A 10 13.886 -5.415 -2.738 1.00 0.00 O ATOM 138 OD2 ASP A 10 12.773 -4.509 -4.402 1.00 0.00 O ATOM 0 H ASP A 10 13.588 -5.063 -0.640 1.00 0.00 H new ATOM 0 HA ASP A 10 14.008 -2.490 -1.676 1.00 0.00 H new ATOM 0 HB2 ASP A 10 11.546 -4.309 -1.688 1.00 0.00 H new ATOM 0 HB3 ASP A 10 11.773 -2.944 -2.763 1.00 0.00 H new ATOM 143 N ILE A 11 11.492 -2.744 0.446 1.00 0.00 N ATOM 144 CA ILE A 11 10.595 -2.005 1.319 1.00 0.00 C ATOM 145 C ILE A 11 11.358 -1.111 2.286 1.00 0.00 C ATOM 146 O ILE A 11 11.089 0.087 2.379 1.00 0.00 O ATOM 147 CB ILE A 11 9.714 -2.976 2.120 1.00 0.00 C ATOM 148 CG1 ILE A 11 8.942 -3.912 1.190 1.00 0.00 C ATOM 149 CG2 ILE A 11 8.753 -2.208 3.013 1.00 0.00 C ATOM 150 CD1 ILE A 11 8.662 -5.266 1.802 1.00 0.00 C ATOM 0 H ILE A 11 11.369 -3.756 0.483 1.00 0.00 H new ATOM 0 HA ILE A 11 9.973 -1.374 0.684 1.00 0.00 H new ATOM 0 HB ILE A 11 10.366 -3.583 2.747 1.00 0.00 H new ATOM 0 HG12 ILE A 11 7.997 -3.443 0.916 1.00 0.00 H new ATOM 0 HG13 ILE A 11 9.510 -4.047 0.269 1.00 0.00 H new ATOM 0 HG21 ILE A 11 8.136 -2.911 3.573 1.00 0.00 H new ATOM 0 HG22 ILE A 11 9.319 -1.588 3.708 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.114 -1.574 2.399 1.00 0.00 H new ATOM 0 HD11 ILE A 11 8.112 -5.880 1.090 1.00 0.00 H new ATOM 0 HD12 ILE A 11 9.604 -5.755 2.051 1.00 0.00 H new ATOM 0 HD13 ILE A 11 8.068 -5.140 2.707 1.00 0.00 H new ATOM 162 N LYS A 12 12.307 -1.692 3.003 1.00 0.00 N ATOM 163 CA LYS A 12 13.096 -0.934 3.961 1.00 0.00 C ATOM 164 C LYS A 12 13.712 0.294 3.300 1.00 0.00 C ATOM 165 O LYS A 12 13.684 1.391 3.859 1.00 0.00 O ATOM 166 CB LYS A 12 14.192 -1.808 4.563 1.00 0.00 C ATOM 167 CG LYS A 12 14.657 -1.319 5.921 1.00 0.00 C ATOM 168 CD LYS A 12 16.033 -1.860 6.270 1.00 0.00 C ATOM 169 CE LYS A 12 16.507 -1.345 7.620 1.00 0.00 C ATOM 170 NZ LYS A 12 17.861 -1.860 7.964 1.00 0.00 N ATOM 0 H LYS A 12 12.549 -2.681 2.940 1.00 0.00 H new ATOM 0 HA LYS A 12 12.432 -0.604 4.760 1.00 0.00 H new ATOM 0 HB2 LYS A 12 13.824 -2.830 4.657 1.00 0.00 H new ATOM 0 HB3 LYS A 12 15.042 -1.836 3.882 1.00 0.00 H new ATOM 0 HG2 LYS A 12 14.682 -0.229 5.927 1.00 0.00 H new ATOM 0 HG3 LYS A 12 13.941 -1.626 6.683 1.00 0.00 H new ATOM 0 HD2 LYS A 12 16.004 -2.950 6.285 1.00 0.00 H new ATOM 0 HD3 LYS A 12 16.746 -1.570 5.498 1.00 0.00 H new ATOM 0 HE2 LYS A 12 16.525 -0.255 7.607 1.00 0.00 H new ATOM 0 HE3 LYS A 12 15.798 -1.643 8.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 18.149 -1.487 8.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 17.838 -2.899 8.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 18.543 -1.554 7.241 1.00 0.00 H new ATOM 184 N LYS A 13 14.266 0.106 2.106 1.00 0.00 N ATOM 185 CA LYS A 13 14.894 1.203 1.380 1.00 0.00 C ATOM 186 C LYS A 13 13.856 2.156 0.803 1.00 0.00 C ATOM 187 O LYS A 13 13.897 3.355 1.043 1.00 0.00 O ATOM 188 CB LYS A 13 15.740 0.651 0.240 1.00 0.00 C ATOM 189 CG LYS A 13 16.718 -0.420 0.677 1.00 0.00 C ATOM 190 CD LYS A 13 17.030 -1.379 -0.459 1.00 0.00 C ATOM 191 CE LYS A 13 17.870 -2.546 0.022 1.00 0.00 C ATOM 192 NZ LYS A 13 18.251 -3.454 -1.094 1.00 0.00 N ATOM 0 H LYS A 13 14.293 -0.792 1.623 1.00 0.00 H new ATOM 0 HA LYS A 13 15.518 1.751 2.085 1.00 0.00 H new ATOM 0 HB2 LYS A 13 15.081 0.240 -0.525 1.00 0.00 H new ATOM 0 HB3 LYS A 13 16.292 1.470 -0.222 1.00 0.00 H new ATOM 0 HG2 LYS A 13 17.639 0.046 1.026 1.00 0.00 H new ATOM 0 HG3 LYS A 13 16.302 -0.973 1.519 1.00 0.00 H new ATOM 0 HD2 LYS A 13 16.100 -1.750 -0.890 1.00 0.00 H new ATOM 0 HD3 LYS A 13 17.559 -0.849 -1.251 1.00 0.00 H new ATOM 0 HE2 LYS A 13 18.771 -2.169 0.507 1.00 0.00 H new ATOM 0 HE3 LYS A 13 17.315 -3.108 0.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 18.920 -4.170 -0.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 17.401 -3.925 -1.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 18.699 -2.902 -1.853 1.00 0.00 H new ATOM 206 N ALA A 14 12.901 1.606 0.067 1.00 0.00 N ATOM 207 CA ALA A 14 11.867 2.416 -0.560 1.00 0.00 C ATOM 208 C ALA A 14 11.064 3.190 0.474 1.00 0.00 C ATOM 209 O ALA A 14 10.597 4.298 0.209 1.00 0.00 O ATOM 210 CB ALA A 14 10.955 1.535 -1.397 1.00 0.00 C ATOM 0 H ALA A 14 12.821 0.605 -0.110 1.00 0.00 H new ATOM 0 HA ALA A 14 12.352 3.144 -1.210 1.00 0.00 H new ATOM 0 HB1 ALA A 14 10.184 2.148 -1.863 1.00 0.00 H new ATOM 0 HB2 ALA A 14 11.540 1.037 -2.171 1.00 0.00 H new ATOM 0 HB3 ALA A 14 10.486 0.786 -0.759 1.00 0.00 H new ATOM 216 N ILE A 15 10.908 2.603 1.652 1.00 0.00 N ATOM 217 CA ILE A 15 10.154 3.235 2.720 1.00 0.00 C ATOM 218 C ILE A 15 10.928 4.394 3.355 1.00 0.00 C ATOM 219 O ILE A 15 10.380 5.477 3.563 1.00 0.00 O ATOM 220 CB ILE A 15 9.728 2.195 3.766 1.00 0.00 C ATOM 221 CG1 ILE A 15 8.592 1.416 3.134 1.00 0.00 C ATOM 222 CG2 ILE A 15 9.292 2.833 5.090 1.00 0.00 C ATOM 223 CD1 ILE A 15 7.797 0.567 4.090 1.00 0.00 C ATOM 0 H ILE A 15 11.294 1.690 1.890 1.00 0.00 H new ATOM 0 HA ILE A 15 9.252 3.665 2.285 1.00 0.00 H new ATOM 0 HB ILE A 15 10.568 1.551 4.027 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.916 2.119 2.646 1.00 0.00 H new ATOM 0 HG13 ILE A 15 9.001 0.774 2.354 1.00 0.00 H new ATOM 0 HG21 ILE A 15 9.002 2.052 5.792 1.00 0.00 H new ATOM 0 HG22 ILE A 15 10.120 3.407 5.507 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.444 3.495 4.913 1.00 0.00 H new ATOM 0 HD11 ILE A 15 7.008 0.048 3.546 1.00 0.00 H new ATOM 0 HD12 ILE A 15 8.454 -0.164 4.560 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.353 1.201 4.857 1.00 0.00 H new ATOM 235 N GLY A 16 12.200 4.158 3.661 1.00 0.00 N ATOM 236 CA GLY A 16 13.016 5.187 4.289 1.00 0.00 C ATOM 237 C GLY A 16 13.860 5.998 3.315 1.00 0.00 C ATOM 238 O GLY A 16 13.836 7.228 3.349 1.00 0.00 O ATOM 0 H GLY A 16 12.681 3.276 3.487 1.00 0.00 H new ATOM 0 HA2 GLY A 16 12.364 5.866 4.839 1.00 0.00 H new ATOM 0 HA3 GLY A 16 13.675 4.717 5.019 1.00 0.00 H new ATOM 242 N ALA A 17 14.606 5.310 2.451 1.00 0.00 N ATOM 243 CA ALA A 17 15.487 5.966 1.476 1.00 0.00 C ATOM 244 C ALA A 17 14.896 7.255 0.911 1.00 0.00 C ATOM 245 O ALA A 17 15.520 8.314 0.988 1.00 0.00 O ATOM 246 CB ALA A 17 15.826 5.014 0.338 1.00 0.00 C ATOM 0 H ALA A 17 14.620 4.291 2.404 1.00 0.00 H new ATOM 0 HA ALA A 17 16.395 6.236 2.015 1.00 0.00 H new ATOM 0 HB1 ALA A 17 16.479 5.517 -0.375 1.00 0.00 H new ATOM 0 HB2 ALA A 17 16.333 4.135 0.737 1.00 0.00 H new ATOM 0 HB3 ALA A 17 14.909 4.707 -0.165 1.00 0.00 H new ATOM 252 N PHE A 18 13.695 7.173 0.347 1.00 0.00 N ATOM 253 CA PHE A 18 13.063 8.349 -0.241 1.00 0.00 C ATOM 254 C PHE A 18 11.614 8.515 0.219 1.00 0.00 C ATOM 255 O PHE A 18 10.679 8.502 -0.581 1.00 0.00 O ATOM 256 CB PHE A 18 13.173 8.297 -1.774 1.00 0.00 C ATOM 257 CG PHE A 18 12.162 7.433 -2.488 1.00 0.00 C ATOM 258 CD1 PHE A 18 11.531 6.364 -1.860 1.00 0.00 C ATOM 259 CD2 PHE A 18 11.846 7.702 -3.810 1.00 0.00 C ATOM 260 CE1 PHE A 18 10.610 5.587 -2.542 1.00 0.00 C ATOM 261 CE2 PHE A 18 10.929 6.930 -4.493 1.00 0.00 C ATOM 262 CZ PHE A 18 10.310 5.872 -3.858 1.00 0.00 C ATOM 0 H PHE A 18 13.145 6.316 0.285 1.00 0.00 H new ATOM 0 HA PHE A 18 13.597 9.231 0.112 1.00 0.00 H new ATOM 0 HB2 PHE A 18 13.086 9.313 -2.158 1.00 0.00 H new ATOM 0 HB3 PHE A 18 14.170 7.942 -2.034 1.00 0.00 H new ATOM 0 HD1 PHE A 18 11.762 6.138 -0.830 1.00 0.00 H new ATOM 0 HD2 PHE A 18 12.325 8.529 -4.314 1.00 0.00 H new ATOM 0 HE1 PHE A 18 10.127 4.759 -2.044 1.00 0.00 H new ATOM 0 HE2 PHE A 18 10.696 7.153 -5.524 1.00 0.00 H new ATOM 0 HZ PHE A 18 9.591 5.268 -4.391 1.00 0.00 H new ATOM 272 N THR A 19 11.440 8.718 1.524 1.00 0.00 N ATOM 273 CA THR A 19 10.113 8.895 2.109 1.00 0.00 C ATOM 274 C THR A 19 9.230 9.798 1.246 1.00 0.00 C ATOM 275 O THR A 19 8.006 9.670 1.249 1.00 0.00 O ATOM 276 CB THR A 19 10.203 9.492 3.526 1.00 0.00 C ATOM 277 OG1 THR A 19 8.891 9.629 4.084 1.00 0.00 O ATOM 278 CG2 THR A 19 10.889 10.849 3.495 1.00 0.00 C ATOM 0 H THR A 19 12.204 8.764 2.198 1.00 0.00 H new ATOM 0 HA THR A 19 9.662 7.904 2.161 1.00 0.00 H new ATOM 0 HB THR A 19 10.792 8.816 4.146 1.00 0.00 H new ATOM 0 HG1 THR A 19 8.254 9.105 3.555 1.00 0.00 H new ATOM 0 HG21 THR A 19 10.942 11.253 4.506 1.00 0.00 H new ATOM 0 HG22 THR A 19 11.897 10.738 3.095 1.00 0.00 H new ATOM 0 HG23 THR A 19 10.320 11.530 2.862 1.00 0.00 H new ATOM 286 N ALA A 20 9.863 10.710 0.511 1.00 0.00 N ATOM 287 CA ALA A 20 9.147 11.630 -0.366 1.00 0.00 C ATOM 288 C ALA A 20 8.100 10.898 -1.198 1.00 0.00 C ATOM 289 O ALA A 20 6.996 11.400 -1.394 1.00 0.00 O ATOM 290 CB ALA A 20 10.125 12.366 -1.272 1.00 0.00 C ATOM 0 H ALA A 20 10.876 10.831 0.507 1.00 0.00 H new ATOM 0 HA ALA A 20 8.630 12.357 0.259 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.577 13.049 -1.921 1.00 0.00 H new ATOM 0 HB2 ALA A 20 10.830 12.932 -0.663 1.00 0.00 H new ATOM 0 HB3 ALA A 20 10.669 11.645 -1.882 1.00 0.00 H new ATOM 296 N ALA A 21 8.447 9.710 -1.693 1.00 0.00 N ATOM 297 CA ALA A 21 7.507 8.925 -2.486 1.00 0.00 C ATOM 298 C ALA A 21 6.222 8.728 -1.706 1.00 0.00 C ATOM 299 O ALA A 21 5.163 9.217 -2.096 1.00 0.00 O ATOM 300 CB ALA A 21 8.112 7.587 -2.876 1.00 0.00 C ATOM 0 H ALA A 21 9.361 9.276 -1.560 1.00 0.00 H new ATOM 0 HA ALA A 21 7.284 9.467 -3.405 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.392 7.020 -3.466 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.014 7.753 -3.465 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.365 7.026 -1.976 1.00 0.00 H new ATOM 306 N ASP A 22 6.321 8.011 -0.601 1.00 0.00 N ATOM 307 CA ASP A 22 5.167 7.793 0.256 1.00 0.00 C ATOM 308 C ASP A 22 4.629 9.140 0.725 1.00 0.00 C ATOM 309 O ASP A 22 3.457 9.270 1.074 1.00 0.00 O ATOM 310 CB ASP A 22 5.541 6.916 1.454 1.00 0.00 C ATOM 311 CG ASP A 22 6.842 7.344 2.103 1.00 0.00 C ATOM 312 OD1 ASP A 22 6.820 8.310 2.894 1.00 0.00 O ATOM 313 OD2 ASP A 22 7.879 6.712 1.819 1.00 0.00 O ATOM 0 H ASP A 22 7.182 7.572 -0.276 1.00 0.00 H new ATOM 0 HA ASP A 22 4.394 7.273 -0.309 1.00 0.00 H new ATOM 0 HB2 ASP A 22 4.740 6.955 2.193 1.00 0.00 H new ATOM 0 HB3 ASP A 22 5.625 5.879 1.129 1.00 0.00 H new ATOM 318 N SER A 23 5.503 10.145 0.727 1.00 0.00 N ATOM 319 CA SER A 23 5.129 11.490 1.129 1.00 0.00 C ATOM 320 C SER A 23 4.157 12.092 0.115 1.00 0.00 C ATOM 321 O SER A 23 3.083 12.574 0.476 1.00 0.00 O ATOM 322 CB SER A 23 6.379 12.371 1.239 1.00 0.00 C ATOM 323 OG SER A 23 6.209 13.383 2.217 1.00 0.00 O ATOM 0 H SER A 23 6.480 10.047 0.452 1.00 0.00 H new ATOM 0 HA SER A 23 4.640 11.442 2.102 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.240 11.754 1.496 1.00 0.00 H new ATOM 0 HB3 SER A 23 6.591 12.828 0.272 1.00 0.00 H new ATOM 0 HG SER A 23 6.949 14.022 2.158 1.00 0.00 H new ATOM 329 N PHE A 24 4.547 12.052 -1.159 1.00 0.00 N ATOM 330 CA PHE A 24 3.726 12.588 -2.242 1.00 0.00 C ATOM 331 C PHE A 24 2.896 11.489 -2.907 1.00 0.00 C ATOM 332 O PHE A 24 1.666 11.515 -2.861 1.00 0.00 O ATOM 333 CB PHE A 24 4.613 13.277 -3.282 1.00 0.00 C ATOM 334 CG PHE A 24 3.848 13.843 -4.445 1.00 0.00 C ATOM 335 CD1 PHE A 24 2.850 14.783 -4.242 1.00 0.00 C ATOM 336 CD2 PHE A 24 4.126 13.434 -5.739 1.00 0.00 C ATOM 337 CE1 PHE A 24 2.144 15.304 -5.309 1.00 0.00 C ATOM 338 CE2 PHE A 24 3.422 13.951 -6.810 1.00 0.00 C ATOM 339 CZ PHE A 24 2.429 14.887 -6.595 1.00 0.00 C ATOM 0 H PHE A 24 5.433 11.651 -1.467 1.00 0.00 H new ATOM 0 HA PHE A 24 3.039 13.318 -1.814 1.00 0.00 H new ATOM 0 HB2 PHE A 24 5.169 14.080 -2.798 1.00 0.00 H new ATOM 0 HB3 PHE A 24 5.346 12.561 -3.654 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.622 15.112 -3.239 1.00 0.00 H new ATOM 0 HD2 PHE A 24 4.902 12.703 -5.913 1.00 0.00 H new ATOM 0 HE1 PHE A 24 1.370 16.037 -5.138 1.00 0.00 H new ATOM 0 HE2 PHE A 24 3.648 13.624 -7.814 1.00 0.00 H new ATOM 0 HZ PHE A 24 1.877 15.292 -7.430 1.00 0.00 H new ATOM 349 N ASP A 25 3.575 10.530 -3.536 1.00 0.00 N ATOM 350 CA ASP A 25 2.896 9.427 -4.213 1.00 0.00 C ATOM 351 C ASP A 25 3.604 8.095 -3.969 1.00 0.00 C ATOM 352 O ASP A 25 4.725 7.884 -4.430 1.00 0.00 O ATOM 353 CB ASP A 25 2.816 9.696 -5.718 1.00 0.00 C ATOM 354 CG ASP A 25 1.880 10.841 -6.048 1.00 0.00 C ATOM 355 OD1 ASP A 25 1.973 11.896 -5.387 1.00 0.00 O ATOM 356 OD2 ASP A 25 1.052 10.682 -6.970 1.00 0.00 O ATOM 0 H ASP A 25 4.593 10.495 -3.590 1.00 0.00 H new ATOM 0 HA ASP A 25 1.890 9.360 -3.799 1.00 0.00 H new ATOM 0 HB2 ASP A 25 3.812 9.923 -6.098 1.00 0.00 H new ATOM 0 HB3 ASP A 25 2.478 8.794 -6.229 1.00 0.00 H new ATOM 361 N HIS A 26 2.940 7.199 -3.240 1.00 0.00 N ATOM 362 CA HIS A 26 3.503 5.882 -2.952 1.00 0.00 C ATOM 363 C HIS A 26 3.601 5.036 -4.223 1.00 0.00 C ATOM 364 O HIS A 26 4.256 3.998 -4.226 1.00 0.00 O ATOM 365 CB HIS A 26 2.652 5.135 -1.916 1.00 0.00 C ATOM 366 CG HIS A 26 2.467 5.865 -0.622 1.00 0.00 C ATOM 367 ND1 HIS A 26 2.863 5.345 0.593 1.00 0.00 N ATOM 368 CD2 HIS A 26 1.901 7.065 -0.348 1.00 0.00 C ATOM 369 CE1 HIS A 26 2.549 6.192 1.557 1.00 0.00 C ATOM 370 NE2 HIS A 26 1.965 7.242 1.013 1.00 0.00 N ATOM 0 H HIS A 26 2.016 7.360 -2.840 1.00 0.00 H new ATOM 0 HA HIS A 26 4.503 6.040 -2.549 1.00 0.00 H new ATOM 0 HB2 HIS A 26 1.672 4.932 -2.348 1.00 0.00 H new ATOM 0 HB3 HIS A 26 3.116 4.170 -1.711 1.00 0.00 H new ATOM 0 HD2 HIS A 26 1.479 7.753 -1.065 1.00 0.00 H new ATOM 0 HE1 HIS A 26 2.738 6.049 2.611 1.00 0.00 H new ATOM 0 HE2 HIS A 26 1.617 8.055 1.521 1.00 0.00 H new ATOM 379 N LYS A 27 2.950 5.479 -5.303 1.00 0.00 N ATOM 380 CA LYS A 27 2.972 4.758 -6.561 1.00 0.00 C ATOM 381 C LYS A 27 4.394 4.371 -6.932 1.00 0.00 C ATOM 382 O LYS A 27 4.694 3.198 -7.146 1.00 0.00 O ATOM 383 CB LYS A 27 2.350 5.619 -7.658 1.00 0.00 C ATOM 384 CG LYS A 27 0.884 5.943 -7.440 1.00 0.00 C ATOM 385 CD LYS A 27 0.076 4.688 -7.240 1.00 0.00 C ATOM 386 CE LYS A 27 0.073 3.831 -8.494 1.00 0.00 C ATOM 387 NZ LYS A 27 -0.205 4.641 -9.715 1.00 0.00 N ATOM 0 H LYS A 27 2.401 6.339 -5.322 1.00 0.00 H new ATOM 0 HA LYS A 27 2.390 3.843 -6.453 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.909 6.552 -7.733 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.459 5.105 -8.613 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.777 6.591 -6.570 1.00 0.00 H new ATOM 0 HG3 LYS A 27 0.499 6.495 -8.298 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.486 4.117 -6.407 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.948 4.950 -6.973 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.038 3.335 -8.598 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.679 3.048 -8.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.400 4.006 -10.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.031 5.250 -9.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.622 5.232 -9.935 1.00 0.00 H new ATOM 401 N LYS A 28 5.274 5.361 -6.998 1.00 0.00 N ATOM 402 CA LYS A 28 6.667 5.101 -7.316 1.00 0.00 C ATOM 403 C LYS A 28 7.237 4.169 -6.267 1.00 0.00 C ATOM 404 O LYS A 28 7.868 3.161 -6.580 1.00 0.00 O ATOM 405 CB LYS A 28 7.464 6.404 -7.342 1.00 0.00 C ATOM 406 CG LYS A 28 7.391 7.149 -8.667 1.00 0.00 C ATOM 407 CD LYS A 28 5.958 7.474 -9.060 1.00 0.00 C ATOM 408 CE LYS A 28 5.342 6.356 -9.888 1.00 0.00 C ATOM 409 NZ LYS A 28 3.986 6.717 -10.386 1.00 0.00 N ATOM 0 H LYS A 28 5.049 6.343 -6.837 1.00 0.00 H new ATOM 0 HA LYS A 28 6.734 4.642 -8.302 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.099 7.057 -6.549 1.00 0.00 H new ATOM 0 HB3 LYS A 28 8.508 6.184 -7.118 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.966 8.072 -8.596 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.853 6.545 -9.448 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.361 7.636 -8.163 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.937 8.404 -9.629 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.991 6.131 -10.734 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.278 5.450 -9.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.438 5.850 -10.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.498 7.297 -9.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.073 7.256 -11.271 1.00 0.00 H new ATOM 423 N PHE A 29 7.001 4.525 -5.011 1.00 0.00 N ATOM 424 CA PHE A 29 7.445 3.712 -3.887 1.00 0.00 C ATOM 425 C PHE A 29 6.997 2.264 -4.091 1.00 0.00 C ATOM 426 O PHE A 29 7.694 1.328 -3.703 1.00 0.00 O ATOM 427 CB PHE A 29 6.874 4.276 -2.574 1.00 0.00 C ATOM 428 CG PHE A 29 6.873 3.293 -1.435 1.00 0.00 C ATOM 429 CD1 PHE A 29 8.059 2.886 -0.850 1.00 0.00 C ATOM 430 CD2 PHE A 29 5.681 2.762 -0.969 1.00 0.00 C ATOM 431 CE1 PHE A 29 8.056 1.969 0.183 1.00 0.00 C ATOM 432 CE2 PHE A 29 5.671 1.844 0.060 1.00 0.00 C ATOM 433 CZ PHE A 29 6.860 1.446 0.637 1.00 0.00 C ATOM 0 H PHE A 29 6.503 5.374 -4.745 1.00 0.00 H new ATOM 0 HA PHE A 29 8.533 3.737 -3.829 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.454 5.152 -2.284 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.853 4.614 -2.750 1.00 0.00 H new ATOM 0 HD1 PHE A 29 8.996 3.289 -1.204 1.00 0.00 H new ATOM 0 HD2 PHE A 29 4.748 3.071 -1.417 1.00 0.00 H new ATOM 0 HE1 PHE A 29 8.987 1.661 0.635 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.735 1.437 0.414 1.00 0.00 H new ATOM 0 HZ PHE A 29 6.856 0.727 1.442 1.00 0.00 H new ATOM 443 N PHE A 30 5.825 2.101 -4.694 1.00 0.00 N ATOM 444 CA PHE A 30 5.269 0.782 -4.958 1.00 0.00 C ATOM 445 C PHE A 30 6.195 -0.023 -5.853 1.00 0.00 C ATOM 446 O PHE A 30 6.225 -1.252 -5.796 1.00 0.00 O ATOM 447 CB PHE A 30 3.899 0.912 -5.608 1.00 0.00 C ATOM 448 CG PHE A 30 2.860 0.076 -4.927 1.00 0.00 C ATOM 449 CD1 PHE A 30 2.131 0.577 -3.861 1.00 0.00 C ATOM 450 CD2 PHE A 30 2.624 -1.218 -5.344 1.00 0.00 C ATOM 451 CE1 PHE A 30 1.184 -0.202 -3.226 1.00 0.00 C ATOM 452 CE2 PHE A 30 1.680 -2.004 -4.713 1.00 0.00 C ATOM 453 CZ PHE A 30 0.959 -1.497 -3.654 1.00 0.00 C ATOM 0 H PHE A 30 5.239 2.873 -5.011 1.00 0.00 H new ATOM 0 HA PHE A 30 5.165 0.257 -4.008 1.00 0.00 H new ATOM 0 HB2 PHE A 30 3.589 1.957 -5.590 1.00 0.00 H new ATOM 0 HB3 PHE A 30 3.968 0.618 -6.655 1.00 0.00 H new ATOM 0 HD1 PHE A 30 2.305 1.588 -3.523 1.00 0.00 H new ATOM 0 HD2 PHE A 30 3.185 -1.621 -6.174 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.620 0.200 -2.397 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.507 -3.016 -5.049 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.220 -2.110 -3.160 1.00 0.00 H new ATOM 463 N GLN A 31 6.949 0.682 -6.674 1.00 0.00 N ATOM 464 CA GLN A 31 7.894 0.052 -7.579 1.00 0.00 C ATOM 465 C GLN A 31 9.214 -0.256 -6.868 1.00 0.00 C ATOM 466 O GLN A 31 9.744 -1.362 -6.974 1.00 0.00 O ATOM 467 CB GLN A 31 8.144 0.959 -8.782 1.00 0.00 C ATOM 468 CG GLN A 31 6.874 1.528 -9.390 1.00 0.00 C ATOM 469 CD GLN A 31 7.151 2.403 -10.599 1.00 0.00 C ATOM 470 OE1 GLN A 31 8.115 2.180 -11.333 1.00 0.00 O ATOM 471 NE2 GLN A 31 6.308 3.407 -10.809 1.00 0.00 N ATOM 0 H GLN A 31 6.926 1.700 -6.734 1.00 0.00 H new ATOM 0 HA GLN A 31 7.466 -0.890 -7.921 1.00 0.00 H new ATOM 0 HB2 GLN A 31 8.791 1.782 -8.478 1.00 0.00 H new ATOM 0 HB3 GLN A 31 8.681 0.396 -9.545 1.00 0.00 H new ATOM 0 HG2 GLN A 31 6.216 0.709 -9.681 1.00 0.00 H new ATOM 0 HG3 GLN A 31 6.344 2.111 -8.637 1.00 0.00 H new ATOM 0 HE21 GLN A 31 5.523 3.555 -10.175 1.00 0.00 H new ATOM 0 HE22 GLN A 31 6.446 4.031 -11.604 1.00 0.00 H new ATOM 480 N MET A 32 9.737 0.733 -6.145 1.00 0.00 N ATOM 481 CA MET A 32 11.002 0.579 -5.418 1.00 0.00 C ATOM 482 C MET A 32 10.833 -0.319 -4.203 1.00 0.00 C ATOM 483 O MET A 32 11.753 -1.035 -3.809 1.00 0.00 O ATOM 484 CB MET A 32 11.538 1.937 -4.965 1.00 0.00 C ATOM 485 CG MET A 32 11.134 3.084 -5.870 1.00 0.00 C ATOM 486 SD MET A 32 12.281 4.473 -5.798 1.00 0.00 S ATOM 487 CE MET A 32 11.619 5.523 -7.089 1.00 0.00 C ATOM 0 H MET A 32 9.306 1.652 -6.045 1.00 0.00 H new ATOM 0 HA MET A 32 11.714 0.119 -6.104 1.00 0.00 H new ATOM 0 HB2 MET A 32 11.182 2.140 -3.955 1.00 0.00 H new ATOM 0 HB3 MET A 32 12.626 1.890 -4.916 1.00 0.00 H new ATOM 0 HG2 MET A 32 11.071 2.725 -6.897 1.00 0.00 H new ATOM 0 HG3 MET A 32 10.138 3.427 -5.590 1.00 0.00 H new ATOM 0 HE1 MET A 32 12.054 6.519 -7.007 1.00 0.00 H new ATOM 0 HE2 MET A 32 11.863 5.100 -8.063 1.00 0.00 H new ATOM 0 HE3 MET A 32 10.536 5.590 -6.984 1.00 0.00 H new ATOM 497 N VAL A 33 9.649 -0.271 -3.613 1.00 0.00 N ATOM 498 CA VAL A 33 9.345 -1.071 -2.434 1.00 0.00 C ATOM 499 C VAL A 33 9.383 -2.557 -2.769 1.00 0.00 C ATOM 500 O VAL A 33 9.596 -3.400 -1.898 1.00 0.00 O ATOM 501 CB VAL A 33 7.957 -0.707 -1.869 1.00 0.00 C ATOM 502 CG1 VAL A 33 6.876 -1.078 -2.856 1.00 0.00 C ATOM 503 CG2 VAL A 33 7.711 -1.399 -0.555 1.00 0.00 C ATOM 0 H VAL A 33 8.879 0.316 -3.932 1.00 0.00 H new ATOM 0 HA VAL A 33 10.103 -0.855 -1.681 1.00 0.00 H new ATOM 0 HB VAL A 33 7.933 0.370 -1.701 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.902 -0.815 -2.444 1.00 0.00 H new ATOM 0 HG12 VAL A 33 7.034 -0.536 -3.789 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.912 -2.150 -3.049 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.725 -1.125 -0.178 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.758 -2.479 -0.698 1.00 0.00 H new ATOM 0 HG23 VAL A 33 8.471 -1.095 0.164 1.00 0.00 H new ATOM 513 N GLY A 34 9.177 -2.863 -4.042 1.00 0.00 N ATOM 514 CA GLY A 34 9.210 -4.242 -4.497 1.00 0.00 C ATOM 515 C GLY A 34 7.886 -4.954 -4.322 1.00 0.00 C ATOM 516 O GLY A 34 7.844 -6.177 -4.185 1.00 0.00 O ATOM 0 H GLY A 34 8.986 -2.178 -4.773 1.00 0.00 H new ATOM 0 HA2 GLY A 34 9.492 -4.265 -5.550 1.00 0.00 H new ATOM 0 HA3 GLY A 34 9.982 -4.782 -3.948 1.00 0.00 H new ATOM 520 N LEU A 35 6.805 -4.187 -4.330 1.00 0.00 N ATOM 521 CA LEU A 35 5.469 -4.746 -4.185 1.00 0.00 C ATOM 522 C LEU A 35 5.068 -5.467 -5.461 1.00 0.00 C ATOM 523 O LEU A 35 4.304 -6.432 -5.432 1.00 0.00 O ATOM 524 CB LEU A 35 4.475 -3.631 -3.850 1.00 0.00 C ATOM 525 CG LEU A 35 4.190 -3.409 -2.354 1.00 0.00 C ATOM 526 CD1 LEU A 35 2.904 -4.112 -1.961 1.00 0.00 C ATOM 527 CD2 LEU A 35 5.341 -3.889 -1.474 1.00 0.00 C ATOM 0 H LEU A 35 6.828 -3.173 -4.436 1.00 0.00 H new ATOM 0 HA LEU A 35 5.464 -5.469 -3.369 1.00 0.00 H new ATOM 0 HB2 LEU A 35 4.851 -2.698 -4.270 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.532 -3.849 -4.351 1.00 0.00 H new ATOM 0 HG LEU A 35 4.083 -2.336 -2.195 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.710 -3.950 -0.901 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.077 -3.711 -2.547 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.000 -5.181 -2.153 1.00 0.00 H new ATOM 0 HD21 LEU A 35 5.096 -3.713 -0.427 1.00 0.00 H new ATOM 0 HD22 LEU A 35 5.502 -4.955 -1.635 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.248 -3.343 -1.732 1.00 0.00 H new ATOM 539 N LYS A 36 5.593 -4.989 -6.582 1.00 0.00 N ATOM 540 CA LYS A 36 5.324 -5.602 -7.865 1.00 0.00 C ATOM 541 C LYS A 36 6.337 -6.725 -8.136 1.00 0.00 C ATOM 542 O LYS A 36 6.175 -7.502 -9.076 1.00 0.00 O ATOM 543 CB LYS A 36 5.414 -4.552 -8.968 1.00 0.00 C ATOM 544 CG LYS A 36 4.535 -3.328 -8.737 1.00 0.00 C ATOM 545 CD LYS A 36 5.346 -2.033 -8.795 1.00 0.00 C ATOM 546 CE LYS A 36 6.300 -2.025 -9.985 1.00 0.00 C ATOM 547 NZ LYS A 36 7.698 -2.360 -9.593 1.00 0.00 N ATOM 0 H LYS A 36 6.208 -4.176 -6.623 1.00 0.00 H new ATOM 0 HA LYS A 36 4.320 -6.025 -7.851 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.451 -4.229 -9.063 1.00 0.00 H new ATOM 0 HB3 LYS A 36 5.135 -5.012 -9.916 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.747 -3.298 -9.489 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.046 -3.409 -7.766 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.669 -1.181 -8.864 1.00 0.00 H new ATOM 0 HD3 LYS A 36 5.913 -1.916 -7.872 1.00 0.00 H new ATOM 0 HE2 LYS A 36 5.953 -2.740 -10.730 1.00 0.00 H new ATOM 0 HE3 LYS A 36 6.283 -1.042 -10.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 8.314 -1.542 -9.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 7.727 -2.600 -8.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 8.030 -3.172 -10.151 1.00 0.00 H new ATOM 561 N LYS A 37 7.385 -6.799 -7.300 1.00 0.00 N ATOM 562 CA LYS A 37 8.435 -7.808 -7.446 1.00 0.00 C ATOM 563 C LYS A 37 7.856 -9.175 -7.802 1.00 0.00 C ATOM 564 O LYS A 37 8.031 -9.655 -8.922 1.00 0.00 O ATOM 565 CB LYS A 37 9.273 -7.891 -6.160 1.00 0.00 C ATOM 566 CG LYS A 37 10.541 -8.717 -6.307 1.00 0.00 C ATOM 567 CD LYS A 37 10.292 -10.193 -6.035 1.00 0.00 C ATOM 568 CE LYS A 37 11.559 -11.012 -6.224 1.00 0.00 C ATOM 569 NZ LYS A 37 11.394 -12.411 -5.743 1.00 0.00 N ATOM 0 H LYS A 37 7.524 -6.166 -6.513 1.00 0.00 H new ATOM 0 HA LYS A 37 9.081 -7.504 -8.269 1.00 0.00 H new ATOM 0 HB2 LYS A 37 9.542 -6.882 -5.847 1.00 0.00 H new ATOM 0 HB3 LYS A 37 8.661 -8.319 -5.366 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.938 -8.596 -7.315 1.00 0.00 H new ATOM 0 HG3 LYS A 37 11.299 -8.344 -5.618 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.923 -10.320 -5.017 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.515 -10.562 -6.704 1.00 0.00 H new ATOM 0 HE2 LYS A 37 11.831 -11.021 -7.279 1.00 0.00 H new ATOM 0 HE3 LYS A 37 12.381 -10.538 -5.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 12.084 -12.602 -4.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.431 -12.539 -5.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.552 -13.070 -6.532 1.00 0.00 H new ATOM 583 N LYS A 38 7.171 -9.803 -6.854 1.00 0.00 N ATOM 584 CA LYS A 38 6.570 -11.106 -7.100 1.00 0.00 C ATOM 585 C LYS A 38 5.248 -10.950 -7.862 1.00 0.00 C ATOM 586 O LYS A 38 5.249 -10.807 -9.085 1.00 0.00 O ATOM 587 CB LYS A 38 6.356 -11.862 -5.786 1.00 0.00 C ATOM 588 CG LYS A 38 7.630 -12.203 -5.042 1.00 0.00 C ATOM 589 CD LYS A 38 7.308 -12.770 -3.671 1.00 0.00 C ATOM 590 CE LYS A 38 8.528 -12.779 -2.766 1.00 0.00 C ATOM 591 NZ LYS A 38 9.583 -13.697 -3.272 1.00 0.00 N ATOM 0 H LYS A 38 7.019 -9.434 -5.915 1.00 0.00 H new ATOM 0 HA LYS A 38 7.254 -11.690 -7.716 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.720 -11.261 -5.136 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.815 -12.785 -5.996 1.00 0.00 H new ATOM 0 HG2 LYS A 38 8.210 -12.927 -5.615 1.00 0.00 H new ATOM 0 HG3 LYS A 38 8.247 -11.311 -4.937 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.517 -12.179 -3.209 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.926 -13.785 -3.778 1.00 0.00 H new ATOM 0 HE2 LYS A 38 8.931 -11.769 -2.689 1.00 0.00 H new ATOM 0 HE3 LYS A 38 8.233 -13.082 -1.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 9.788 -14.420 -2.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.252 -14.159 -4.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 10.447 -13.155 -3.474 1.00 0.00 H new ATOM 605 N SER A 39 4.122 -10.980 -7.146 1.00 0.00 N ATOM 606 CA SER A 39 2.815 -10.830 -7.771 1.00 0.00 C ATOM 607 C SER A 39 1.859 -10.106 -6.830 1.00 0.00 C ATOM 608 O SER A 39 2.099 -10.043 -5.626 1.00 0.00 O ATOM 609 CB SER A 39 2.242 -12.195 -8.155 1.00 0.00 C ATOM 610 OG SER A 39 2.065 -13.015 -7.012 1.00 0.00 O ATOM 0 H SER A 39 4.093 -11.107 -6.134 1.00 0.00 H new ATOM 0 HA SER A 39 2.934 -10.237 -8.678 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.286 -12.062 -8.662 1.00 0.00 H new ATOM 0 HB3 SER A 39 2.911 -12.688 -8.860 1.00 0.00 H new ATOM 0 HG SER A 39 2.486 -12.590 -6.236 1.00 0.00 H new ATOM 616 N ALA A 40 0.778 -9.559 -7.373 1.00 0.00 N ATOM 617 CA ALA A 40 -0.200 -8.858 -6.555 1.00 0.00 C ATOM 618 C ALA A 40 -0.637 -9.729 -5.383 1.00 0.00 C ATOM 619 O ALA A 40 -0.905 -9.234 -4.291 1.00 0.00 O ATOM 620 CB ALA A 40 -1.397 -8.456 -7.399 1.00 0.00 C ATOM 0 H ALA A 40 0.559 -9.587 -8.369 1.00 0.00 H new ATOM 0 HA ALA A 40 0.261 -7.955 -6.155 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.122 -7.932 -6.776 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.070 -7.799 -8.205 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.859 -9.348 -7.822 1.00 0.00 H new ATOM 626 N ASP A 41 -0.710 -11.034 -5.619 1.00 0.00 N ATOM 627 CA ASP A 41 -1.093 -11.968 -4.570 1.00 0.00 C ATOM 628 C ASP A 41 -0.167 -11.795 -3.373 1.00 0.00 C ATOM 629 O ASP A 41 -0.612 -11.733 -2.224 1.00 0.00 O ATOM 630 CB ASP A 41 -1.026 -13.407 -5.083 1.00 0.00 C ATOM 631 CG ASP A 41 -1.947 -13.643 -6.263 1.00 0.00 C ATOM 632 OD1 ASP A 41 -1.558 -13.299 -7.399 1.00 0.00 O ATOM 633 OD2 ASP A 41 -3.059 -14.174 -6.052 1.00 0.00 O ATOM 0 H ASP A 41 -0.510 -11.466 -6.521 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.119 -11.759 -4.267 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.001 -13.639 -5.373 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.291 -14.090 -4.276 1.00 0.00 H new ATOM 638 N ASP A 42 1.129 -11.711 -3.658 1.00 0.00 N ATOM 639 CA ASP A 42 2.132 -11.528 -2.622 1.00 0.00 C ATOM 640 C ASP A 42 1.795 -10.312 -1.770 1.00 0.00 C ATOM 641 O ASP A 42 1.809 -10.378 -0.541 1.00 0.00 O ATOM 642 CB ASP A 42 3.517 -11.358 -3.252 1.00 0.00 C ATOM 643 CG ASP A 42 3.960 -12.592 -4.017 1.00 0.00 C ATOM 644 OD1 ASP A 42 4.578 -13.483 -3.398 1.00 0.00 O ATOM 645 OD2 ASP A 42 3.690 -12.664 -5.233 1.00 0.00 O ATOM 0 H ASP A 42 1.507 -11.767 -4.604 1.00 0.00 H new ATOM 0 HA ASP A 42 2.140 -12.412 -1.985 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.504 -10.501 -3.926 1.00 0.00 H new ATOM 0 HB3 ASP A 42 4.244 -11.138 -2.470 1.00 0.00 H new ATOM 650 N VAL A 43 1.492 -9.200 -2.432 1.00 0.00 N ATOM 651 CA VAL A 43 1.140 -7.975 -1.731 1.00 0.00 C ATOM 652 C VAL A 43 -0.242 -8.125 -1.091 1.00 0.00 C ATOM 653 O VAL A 43 -0.494 -7.648 0.013 1.00 0.00 O ATOM 654 CB VAL A 43 1.184 -6.737 -2.676 1.00 0.00 C ATOM 655 CG1 VAL A 43 2.453 -6.745 -3.522 1.00 0.00 C ATOM 656 CG2 VAL A 43 -0.051 -6.639 -3.567 1.00 0.00 C ATOM 0 H VAL A 43 1.484 -9.124 -3.449 1.00 0.00 H new ATOM 0 HA VAL A 43 1.879 -7.805 -0.948 1.00 0.00 H new ATOM 0 HB VAL A 43 1.191 -5.854 -2.037 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.461 -5.871 -4.174 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.326 -6.719 -2.869 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.480 -7.650 -4.128 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.030 -5.759 -4.206 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.124 -7.532 -4.187 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.942 -6.555 -2.945 1.00 0.00 H new ATOM 666 N LYS A 44 -1.117 -8.826 -1.803 1.00 0.00 N ATOM 667 CA LYS A 44 -2.479 -9.081 -1.348 1.00 0.00 C ATOM 668 C LYS A 44 -2.472 -9.654 0.061 1.00 0.00 C ATOM 669 O LYS A 44 -3.376 -9.406 0.858 1.00 0.00 O ATOM 670 CB LYS A 44 -3.132 -10.088 -2.292 1.00 0.00 C ATOM 671 CG LYS A 44 -4.621 -9.883 -2.513 1.00 0.00 C ATOM 672 CD LYS A 44 -5.156 -10.866 -3.546 1.00 0.00 C ATOM 673 CE LYS A 44 -6.631 -10.640 -3.837 1.00 0.00 C ATOM 674 NZ LYS A 44 -7.119 -11.526 -4.931 1.00 0.00 N ATOM 0 H LYS A 44 -0.902 -9.234 -2.713 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.035 -8.143 -1.344 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.626 -10.041 -3.256 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.973 -11.091 -1.897 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.154 -10.013 -1.571 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.806 -8.862 -2.846 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.585 -10.768 -4.469 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.009 -11.885 -3.187 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.212 -10.823 -2.933 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.792 -9.598 -4.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.129 -11.343 -5.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.581 -11.333 -5.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.989 -12.521 -4.656 1.00 0.00 H new ATOM 688 N LYS A 45 -1.433 -10.418 0.349 1.00 0.00 N ATOM 689 CA LYS A 45 -1.283 -11.070 1.644 1.00 0.00 C ATOM 690 C LYS A 45 -1.214 -10.049 2.767 1.00 0.00 C ATOM 691 O LYS A 45 -1.892 -10.192 3.785 1.00 0.00 O ATOM 692 CB LYS A 45 -0.033 -11.951 1.653 1.00 0.00 C ATOM 693 CG LYS A 45 0.018 -12.947 0.504 1.00 0.00 C ATOM 694 CD LYS A 45 0.147 -14.376 1.007 1.00 0.00 C ATOM 695 CE LYS A 45 -1.192 -15.097 0.997 1.00 0.00 C ATOM 696 NZ LYS A 45 -2.233 -14.357 1.761 1.00 0.00 N ATOM 0 H LYS A 45 -0.671 -10.605 -0.303 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.159 -11.697 1.809 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.851 -11.314 1.610 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.011 -12.495 2.597 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.885 -12.853 -0.100 1.00 0.00 H new ATOM 0 HG3 LYS A 45 0.861 -12.712 -0.145 1.00 0.00 H new ATOM 0 HD2 LYS A 45 0.858 -14.919 0.384 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.550 -14.371 2.020 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.524 -15.229 -0.033 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.070 -16.093 1.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.924 -15.031 2.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.785 -13.833 2.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.719 -13.689 1.129 1.00 0.00 H new ATOM 710 N VAL A 46 -0.397 -9.017 2.590 1.00 0.00 N ATOM 711 CA VAL A 46 -0.273 -7.990 3.606 1.00 0.00 C ATOM 712 C VAL A 46 -1.643 -7.403 3.924 1.00 0.00 C ATOM 713 O VAL A 46 -1.876 -6.889 5.016 1.00 0.00 O ATOM 714 CB VAL A 46 0.702 -6.863 3.199 1.00 0.00 C ATOM 715 CG1 VAL A 46 0.128 -6.000 2.087 1.00 0.00 C ATOM 716 CG2 VAL A 46 1.042 -6.015 4.408 1.00 0.00 C ATOM 0 H VAL A 46 0.181 -8.874 1.762 1.00 0.00 H new ATOM 0 HA VAL A 46 0.142 -8.467 4.494 1.00 0.00 H new ATOM 0 HB VAL A 46 1.612 -7.325 2.816 1.00 0.00 H new ATOM 0 HG11 VAL A 46 0.842 -5.218 1.828 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.067 -6.618 1.211 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.803 -5.544 2.424 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.730 -5.222 4.114 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.130 -5.574 4.811 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.511 -6.638 5.169 1.00 0.00 H new ATOM 726 N PHE A 47 -2.556 -7.485 2.954 1.00 0.00 N ATOM 727 CA PHE A 47 -3.899 -6.954 3.133 1.00 0.00 C ATOM 728 C PHE A 47 -4.475 -7.356 4.480 1.00 0.00 C ATOM 729 O PHE A 47 -5.087 -6.548 5.170 1.00 0.00 O ATOM 730 CB PHE A 47 -4.833 -7.461 2.050 1.00 0.00 C ATOM 731 CG PHE A 47 -6.219 -6.895 2.164 1.00 0.00 C ATOM 732 CD1 PHE A 47 -6.418 -5.527 2.200 1.00 0.00 C ATOM 733 CD2 PHE A 47 -7.321 -7.732 2.247 1.00 0.00 C ATOM 734 CE1 PHE A 47 -7.689 -5.000 2.315 1.00 0.00 C ATOM 735 CE2 PHE A 47 -8.595 -7.212 2.361 1.00 0.00 C ATOM 736 CZ PHE A 47 -8.780 -5.843 2.395 1.00 0.00 C ATOM 0 H PHE A 47 -2.387 -7.912 2.043 1.00 0.00 H new ATOM 0 HA PHE A 47 -3.818 -5.868 3.077 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -4.421 -7.207 1.073 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -4.884 -8.549 2.101 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -5.569 -4.863 2.137 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -7.181 -8.803 2.222 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -7.830 -3.930 2.342 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -9.446 -7.874 2.424 1.00 0.00 H new ATOM 0 HZ PHE A 47 -9.775 -5.433 2.484 1.00 0.00 H new ATOM 746 N HIS A 48 -4.290 -8.623 4.834 1.00 0.00 N ATOM 747 CA HIS A 48 -4.780 -9.136 6.101 1.00 0.00 C ATOM 748 C HIS A 48 -3.889 -8.638 7.226 1.00 0.00 C ATOM 749 O HIS A 48 -4.358 -8.343 8.324 1.00 0.00 O ATOM 750 CB HIS A 48 -4.812 -10.665 6.087 1.00 0.00 C ATOM 751 CG HIS A 48 -5.266 -11.268 7.378 1.00 0.00 C ATOM 752 ND1 HIS A 48 -6.557 -11.708 7.591 1.00 0.00 N ATOM 753 CD2 HIS A 48 -4.594 -11.510 8.529 1.00 0.00 C ATOM 754 CE1 HIS A 48 -6.658 -12.193 8.816 1.00 0.00 C ATOM 755 NE2 HIS A 48 -5.482 -12.086 9.404 1.00 0.00 N ATOM 0 H HIS A 48 -3.804 -9.311 4.259 1.00 0.00 H new ATOM 0 HA HIS A 48 -5.797 -8.777 6.260 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -5.474 -10.999 5.288 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -3.815 -11.038 5.852 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -3.554 -11.291 8.722 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -7.551 -12.607 9.260 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -5.267 -12.383 10.356 1.00 0.00 H new ATOM 764 N ILE A 49 -2.595 -8.547 6.936 1.00 0.00 N ATOM 765 CA ILE A 49 -1.628 -8.059 7.909 1.00 0.00 C ATOM 766 C ILE A 49 -2.085 -6.714 8.448 1.00 0.00 C ATOM 767 O ILE A 49 -2.128 -6.490 9.657 1.00 0.00 O ATOM 768 CB ILE A 49 -0.229 -7.903 7.275 1.00 0.00 C ATOM 769 CG1 ILE A 49 0.276 -9.252 6.758 1.00 0.00 C ATOM 770 CG2 ILE A 49 0.754 -7.318 8.280 1.00 0.00 C ATOM 771 CD1 ILE A 49 0.275 -10.339 7.801 1.00 0.00 C ATOM 0 H ILE A 49 -2.193 -8.805 6.035 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.562 -8.786 8.718 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.309 -7.216 6.433 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.345 -9.565 5.919 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.289 -9.128 6.376 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.734 -7.216 7.814 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.403 -6.338 8.604 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.830 -7.980 9.142 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.645 -11.265 7.362 1.00 0.00 H new ATOM 0 HD12 ILE A 49 0.919 -10.048 8.631 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.740 -10.491 8.167 1.00 0.00 H new ATOM 783 N LEU A 50 -2.419 -5.821 7.526 1.00 0.00 N ATOM 784 CA LEU A 50 -2.886 -4.497 7.872 1.00 0.00 C ATOM 785 C LEU A 50 -4.399 -4.477 8.095 1.00 0.00 C ATOM 786 O LEU A 50 -4.893 -3.773 8.973 1.00 0.00 O ATOM 787 CB LEU A 50 -2.494 -3.540 6.755 1.00 0.00 C ATOM 788 CG LEU A 50 -3.180 -3.784 5.410 1.00 0.00 C ATOM 789 CD1 LEU A 50 -4.483 -3.005 5.316 1.00 0.00 C ATOM 790 CD2 LEU A 50 -2.251 -3.408 4.266 1.00 0.00 C ATOM 0 H LEU A 50 -2.372 -5.999 6.523 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.423 -4.187 8.809 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.716 -2.523 7.077 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.415 -3.601 6.610 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.414 -4.846 5.334 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.952 -3.195 4.350 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.155 -3.322 6.114 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.278 -1.939 5.416 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.753 -3.587 3.315 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.987 -2.353 4.344 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.346 -4.014 4.318 1.00 0.00 H new ATOM 802 N ASP A 51 -5.133 -5.254 7.297 1.00 0.00 N ATOM 803 CA ASP A 51 -6.590 -5.308 7.414 1.00 0.00 C ATOM 804 C ASP A 51 -7.070 -6.718 7.741 1.00 0.00 C ATOM 805 O ASP A 51 -7.745 -7.360 6.936 1.00 0.00 O ATOM 806 CB ASP A 51 -7.238 -4.829 6.117 1.00 0.00 C ATOM 807 CG ASP A 51 -7.754 -3.407 6.222 1.00 0.00 C ATOM 808 OD1 ASP A 51 -7.069 -2.572 6.850 1.00 0.00 O ATOM 809 OD2 ASP A 51 -8.839 -3.127 5.673 1.00 0.00 O ATOM 0 H ASP A 51 -4.745 -5.851 6.567 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.884 -4.651 8.232 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -6.512 -4.891 5.306 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -8.062 -5.494 5.858 1.00 0.00 H new ATOM 814 N LYS A 52 -6.717 -7.193 8.927 1.00 0.00 N ATOM 815 CA LYS A 52 -7.099 -8.529 9.362 1.00 0.00 C ATOM 816 C LYS A 52 -8.590 -8.614 9.701 1.00 0.00 C ATOM 817 O LYS A 52 -9.308 -9.452 9.157 1.00 0.00 O ATOM 818 CB LYS A 52 -6.218 -8.988 10.540 1.00 0.00 C ATOM 819 CG LYS A 52 -6.506 -8.336 11.890 1.00 0.00 C ATOM 820 CD LYS A 52 -6.078 -6.875 11.931 1.00 0.00 C ATOM 821 CE LYS A 52 -6.116 -6.322 13.347 1.00 0.00 C ATOM 822 NZ LYS A 52 -7.500 -6.295 13.897 1.00 0.00 N ATOM 0 H LYS A 52 -6.165 -6.671 9.607 1.00 0.00 H new ATOM 0 HA LYS A 52 -6.930 -9.212 8.530 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -6.328 -10.067 10.650 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.176 -8.798 10.283 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -7.572 -8.406 12.104 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.987 -8.886 12.675 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.069 -6.779 11.529 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -6.734 -6.285 11.291 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -5.481 -6.930 13.991 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -5.703 -5.313 13.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -7.489 -5.865 14.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -8.112 -5.736 13.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -7.867 -7.266 13.962 1.00 0.00 H new ATOM 836 N ASP A 53 -9.051 -7.749 10.600 1.00 0.00 N ATOM 837 CA ASP A 53 -10.451 -7.736 11.004 1.00 0.00 C ATOM 838 C ASP A 53 -11.126 -6.412 10.650 1.00 0.00 C ATOM 839 O ASP A 53 -12.246 -6.148 11.088 1.00 0.00 O ATOM 840 CB ASP A 53 -10.574 -7.995 12.507 1.00 0.00 C ATOM 841 CG ASP A 53 -10.161 -9.403 12.887 1.00 0.00 C ATOM 842 OD1 ASP A 53 -11.017 -10.311 12.824 1.00 0.00 O ATOM 843 OD2 ASP A 53 -8.982 -9.598 13.251 1.00 0.00 O ATOM 0 H ASP A 53 -8.473 -7.047 11.063 1.00 0.00 H new ATOM 0 HA ASP A 53 -10.958 -8.531 10.457 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -9.955 -7.279 13.048 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -11.604 -7.825 12.819 1.00 0.00 H new ATOM 848 N LYS A 54 -10.453 -5.579 9.856 1.00 0.00 N ATOM 849 CA LYS A 54 -11.005 -4.282 9.476 1.00 0.00 C ATOM 850 C LYS A 54 -12.466 -4.400 9.057 1.00 0.00 C ATOM 851 O LYS A 54 -13.367 -4.062 9.823 1.00 0.00 O ATOM 852 CB LYS A 54 -10.178 -3.642 8.369 1.00 0.00 C ATOM 853 CG LYS A 54 -10.785 -2.362 7.818 1.00 0.00 C ATOM 854 CD LYS A 54 -10.838 -1.273 8.880 1.00 0.00 C ATOM 855 CE LYS A 54 -11.430 0.016 8.333 1.00 0.00 C ATOM 856 NZ LYS A 54 -12.843 -0.160 7.899 1.00 0.00 N ATOM 0 H LYS A 54 -9.532 -5.778 9.467 1.00 0.00 H new ATOM 0 HA LYS A 54 -10.961 -3.637 10.353 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -9.180 -3.426 8.751 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.060 -4.358 7.555 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.198 -2.015 6.968 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -11.791 -2.563 7.450 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -11.434 -1.617 9.725 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -9.833 -1.081 9.256 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -11.379 0.791 9.097 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -10.832 0.360 7.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -13.230 0.757 7.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -12.881 -0.831 7.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -13.406 -0.529 8.692 1.00 0.00 H new ATOM 870 N SER A 55 -12.689 -4.892 7.846 1.00 0.00 N ATOM 871 CA SER A 55 -14.054 -5.062 7.330 1.00 0.00 C ATOM 872 C SER A 55 -14.067 -5.481 5.861 1.00 0.00 C ATOM 873 O SER A 55 -14.969 -5.104 5.114 1.00 0.00 O ATOM 874 CB SER A 55 -14.849 -3.764 7.489 1.00 0.00 C ATOM 875 OG SER A 55 -14.150 -2.666 6.929 1.00 0.00 O ATOM 0 H SER A 55 -11.953 -5.181 7.201 1.00 0.00 H new ATOM 0 HA SER A 55 -14.517 -5.857 7.914 1.00 0.00 H new ATOM 0 HB2 SER A 55 -15.820 -3.867 7.004 1.00 0.00 H new ATOM 0 HB3 SER A 55 -15.039 -3.577 8.546 1.00 0.00 H new ATOM 0 HG SER A 55 -14.679 -1.849 7.042 1.00 0.00 H new ATOM 881 N GLY A 56 -13.075 -6.262 5.447 1.00 0.00 N ATOM 882 CA GLY A 56 -13.012 -6.703 4.062 1.00 0.00 C ATOM 883 C GLY A 56 -12.384 -5.675 3.135 1.00 0.00 C ATOM 884 O GLY A 56 -12.048 -5.991 1.994 1.00 0.00 O ATOM 0 H GLY A 56 -12.316 -6.597 6.041 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -12.440 -7.629 4.008 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -14.020 -6.930 3.713 1.00 0.00 H new ATOM 888 N PHE A 57 -12.225 -4.445 3.619 1.00 0.00 N ATOM 889 CA PHE A 57 -11.618 -3.383 2.828 1.00 0.00 C ATOM 890 C PHE A 57 -11.050 -2.314 3.737 1.00 0.00 C ATOM 891 O PHE A 57 -11.408 -2.219 4.912 1.00 0.00 O ATOM 892 CB PHE A 57 -12.620 -2.738 1.861 1.00 0.00 C ATOM 893 CG PHE A 57 -13.713 -3.659 1.417 1.00 0.00 C ATOM 894 CD1 PHE A 57 -14.785 -3.951 2.243 1.00 0.00 C ATOM 895 CD2 PHE A 57 -13.662 -4.233 0.163 1.00 0.00 C ATOM 896 CE1 PHE A 57 -15.788 -4.803 1.823 1.00 0.00 C ATOM 897 CE2 PHE A 57 -14.659 -5.086 -0.267 1.00 0.00 C ATOM 898 CZ PHE A 57 -15.724 -5.372 0.564 1.00 0.00 C ATOM 0 H PHE A 57 -12.509 -4.161 4.557 1.00 0.00 H new ATOM 0 HA PHE A 57 -10.822 -3.839 2.239 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -13.065 -1.867 2.342 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -12.083 -2.378 0.984 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -14.838 -3.508 3.226 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -12.831 -4.012 -0.491 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -16.620 -5.024 2.476 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -14.606 -5.528 -1.251 1.00 0.00 H new ATOM 0 HZ PHE A 57 -16.506 -6.039 0.231 1.00 0.00 H new ATOM 908 N ILE A 58 -10.166 -1.511 3.183 1.00 0.00 N ATOM 909 CA ILE A 58 -9.551 -0.427 3.932 1.00 0.00 C ATOM 910 C ILE A 58 -10.152 0.881 3.486 1.00 0.00 C ATOM 911 O ILE A 58 -10.401 1.089 2.305 1.00 0.00 O ATOM 912 CB ILE A 58 -8.012 -0.374 3.766 1.00 0.00 C ATOM 913 CG1 ILE A 58 -7.458 -1.698 3.233 1.00 0.00 C ATOM 914 CG2 ILE A 58 -7.362 -0.038 5.099 1.00 0.00 C ATOM 915 CD1 ILE A 58 -6.004 -1.624 2.829 1.00 0.00 C ATOM 0 H ILE A 58 -9.854 -1.586 2.215 1.00 0.00 H new ATOM 0 HA ILE A 58 -9.749 -0.607 4.989 1.00 0.00 H new ATOM 0 HB ILE A 58 -7.778 0.403 3.038 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -7.576 -2.466 3.997 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -8.050 -2.011 2.373 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -6.279 -0.002 4.977 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.721 0.931 5.445 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -7.619 -0.802 5.832 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -5.679 -2.597 2.461 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -5.882 -0.879 2.042 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.401 -1.342 3.692 1.00 0.00 H new ATOM 927 N GLU A 59 -10.340 1.774 4.433 1.00 0.00 N ATOM 928 CA GLU A 59 -10.966 3.044 4.148 1.00 0.00 C ATOM 929 C GLU A 59 -9.938 4.147 4.011 1.00 0.00 C ATOM 930 O GLU A 59 -9.223 4.482 4.947 1.00 0.00 O ATOM 931 CB GLU A 59 -11.934 3.377 5.264 1.00 0.00 C ATOM 932 CG GLU A 59 -13.328 2.807 5.057 1.00 0.00 C ATOM 933 CD GLU A 59 -14.271 3.144 6.195 1.00 0.00 C ATOM 934 OE1 GLU A 59 -14.208 2.465 7.241 1.00 0.00 O ATOM 935 OE2 GLU A 59 -15.073 4.091 6.039 1.00 0.00 O ATOM 0 H GLU A 59 -10.068 1.643 5.407 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.498 2.966 3.200 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.533 3.000 6.205 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.005 4.460 5.360 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -13.739 3.192 4.124 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -13.262 1.724 4.954 1.00 0.00 H new ATOM 942 N GLU A 60 -9.915 4.715 2.818 1.00 0.00 N ATOM 943 CA GLU A 60 -8.993 5.783 2.459 1.00 0.00 C ATOM 944 C GLU A 60 -8.736 6.751 3.612 1.00 0.00 C ATOM 945 O GLU A 60 -7.648 7.317 3.724 1.00 0.00 O ATOM 946 CB GLU A 60 -9.560 6.542 1.273 1.00 0.00 C ATOM 947 CG GLU A 60 -10.906 7.150 1.583 1.00 0.00 C ATOM 948 CD GLU A 60 -11.254 8.319 0.683 1.00 0.00 C ATOM 949 OE1 GLU A 60 -11.490 8.090 -0.523 1.00 0.00 O ATOM 950 OE2 GLU A 60 -11.292 9.463 1.183 1.00 0.00 O ATOM 0 H GLU A 60 -10.543 4.446 2.061 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.036 5.326 2.208 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -8.865 7.329 0.980 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.654 5.867 0.422 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -11.675 6.383 1.486 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -10.917 7.483 2.621 1.00 0.00 H new ATOM 957 N ASP A 61 -9.738 6.945 4.462 1.00 0.00 N ATOM 958 CA ASP A 61 -9.609 7.855 5.592 1.00 0.00 C ATOM 959 C ASP A 61 -8.658 7.296 6.641 1.00 0.00 C ATOM 960 O ASP A 61 -7.713 7.966 7.061 1.00 0.00 O ATOM 961 CB ASP A 61 -10.980 8.109 6.218 1.00 0.00 C ATOM 962 CG ASP A 61 -11.920 8.840 5.279 1.00 0.00 C ATOM 963 OD1 ASP A 61 -11.919 10.089 5.290 1.00 0.00 O ATOM 964 OD2 ASP A 61 -12.658 8.164 4.532 1.00 0.00 O ATOM 0 H ASP A 61 -10.646 6.485 4.390 1.00 0.00 H new ATOM 0 HA ASP A 61 -9.198 8.795 5.224 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -11.427 7.157 6.506 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -10.857 8.692 7.131 1.00 0.00 H new ATOM 969 N GLU A 62 -8.913 6.063 7.057 1.00 0.00 N ATOM 970 CA GLU A 62 -8.075 5.401 8.050 1.00 0.00 C ATOM 971 C GLU A 62 -6.883 4.725 7.380 1.00 0.00 C ATOM 972 O GLU A 62 -5.891 4.400 8.033 1.00 0.00 O ATOM 973 CB GLU A 62 -8.889 4.372 8.835 1.00 0.00 C ATOM 974 CG GLU A 62 -8.095 3.672 9.925 1.00 0.00 C ATOM 975 CD GLU A 62 -8.945 2.720 10.745 1.00 0.00 C ATOM 976 OE1 GLU A 62 -9.554 3.173 11.737 1.00 0.00 O ATOM 977 OE2 GLU A 62 -9.000 1.522 10.396 1.00 0.00 O ATOM 0 H GLU A 62 -9.694 5.499 6.722 1.00 0.00 H new ATOM 0 HA GLU A 62 -7.704 6.157 8.742 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.749 4.868 9.285 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -9.278 3.625 8.143 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.272 3.120 9.472 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -7.653 4.419 10.585 1.00 0.00 H new ATOM 984 N LEU A 63 -6.990 4.518 6.070 1.00 0.00 N ATOM 985 CA LEU A 63 -5.934 3.892 5.299 1.00 0.00 C ATOM 986 C LEU A 63 -4.606 4.573 5.567 1.00 0.00 C ATOM 987 O LEU A 63 -3.552 3.945 5.538 1.00 0.00 O ATOM 988 CB LEU A 63 -6.281 3.943 3.818 1.00 0.00 C ATOM 989 CG LEU A 63 -6.304 2.584 3.122 1.00 0.00 C ATOM 990 CD1 LEU A 63 -7.140 2.637 1.850 1.00 0.00 C ATOM 991 CD2 LEU A 63 -4.888 2.111 2.823 1.00 0.00 C ATOM 0 H LEU A 63 -7.809 4.780 5.521 1.00 0.00 H new ATOM 0 HA LEU A 63 -5.842 2.849 5.601 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -7.259 4.411 3.704 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.559 4.584 3.311 1.00 0.00 H new ATOM 0 HG LEU A 63 -6.768 1.865 3.797 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -7.140 1.657 1.374 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -8.163 2.920 2.098 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.716 3.373 1.166 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.925 1.141 2.327 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.393 2.832 2.173 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.330 2.021 3.755 1.00 0.00 H new ATOM 1003 N GLY A 64 -4.679 5.866 5.846 1.00 0.00 N ATOM 1004 CA GLY A 64 -3.484 6.629 6.135 1.00 0.00 C ATOM 1005 C GLY A 64 -2.899 6.259 7.479 1.00 0.00 C ATOM 1006 O GLY A 64 -1.697 6.390 7.704 1.00 0.00 O ATOM 0 H GLY A 64 -5.547 6.401 5.877 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.743 6.455 5.355 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.719 7.693 6.120 1.00 0.00 H new ATOM 1010 N SER A 65 -3.762 5.791 8.374 1.00 0.00 N ATOM 1011 CA SER A 65 -3.342 5.377 9.704 1.00 0.00 C ATOM 1012 C SER A 65 -2.765 3.969 9.650 1.00 0.00 C ATOM 1013 O SER A 65 -1.611 3.741 10.010 1.00 0.00 O ATOM 1014 CB SER A 65 -4.528 5.416 10.665 1.00 0.00 C ATOM 1015 OG SER A 65 -5.086 6.716 10.734 1.00 0.00 O ATOM 0 H SER A 65 -4.762 5.689 8.199 1.00 0.00 H new ATOM 0 HA SER A 65 -2.575 6.064 10.062 1.00 0.00 H new ATOM 0 HB2 SER A 65 -5.289 4.707 10.338 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.206 5.102 11.658 1.00 0.00 H new ATOM 0 HG SER A 65 -5.845 6.714 11.354 1.00 0.00 H new ATOM 1021 N ILE A 66 -3.585 3.026 9.193 1.00 0.00 N ATOM 1022 CA ILE A 66 -3.165 1.636 9.074 1.00 0.00 C ATOM 1023 C ILE A 66 -1.966 1.508 8.137 1.00 0.00 C ATOM 1024 O ILE A 66 -1.191 0.556 8.231 1.00 0.00 O ATOM 1025 CB ILE A 66 -4.313 0.747 8.556 1.00 0.00 C ATOM 1026 CG1 ILE A 66 -3.869 -0.706 8.483 1.00 0.00 C ATOM 1027 CG2 ILE A 66 -4.786 1.229 7.195 1.00 0.00 C ATOM 1028 CD1 ILE A 66 -3.424 -1.272 9.814 1.00 0.00 C ATOM 0 H ILE A 66 -4.546 3.202 8.899 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.880 1.299 10.071 1.00 0.00 H new ATOM 0 HB ILE A 66 -5.147 0.817 9.255 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.691 -1.309 8.098 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.050 -0.791 7.769 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.597 0.590 6.844 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -5.143 2.256 7.276 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.959 1.187 6.487 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.122 -2.311 9.685 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.581 -0.693 10.192 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.248 -1.220 10.525 1.00 0.00 H new ATOM 1040 N LEU A 67 -1.819 2.476 7.232 1.00 0.00 N ATOM 1041 CA LEU A 67 -0.709 2.484 6.281 1.00 0.00 C ATOM 1042 C LEU A 67 0.611 2.215 6.987 1.00 0.00 C ATOM 1043 O LEU A 67 1.523 1.593 6.430 1.00 0.00 O ATOM 1044 CB LEU A 67 -0.646 3.842 5.580 1.00 0.00 C ATOM 1045 CG LEU A 67 -0.695 3.789 4.055 1.00 0.00 C ATOM 1046 CD1 LEU A 67 0.542 3.100 3.514 1.00 0.00 C ATOM 1047 CD2 LEU A 67 -1.955 3.082 3.575 1.00 0.00 C ATOM 0 H LEU A 67 -2.457 3.266 7.138 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.876 1.695 5.547 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.476 4.454 5.933 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.272 4.346 5.881 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.719 4.811 3.677 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.494 3.069 2.425 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.430 3.651 3.823 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.592 2.083 3.904 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.966 3.058 2.485 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.970 2.063 3.961 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.833 3.619 3.935 1.00 0.00 H new ATOM 1059 N LYS A 68 0.694 2.668 8.229 1.00 0.00 N ATOM 1060 CA LYS A 68 1.895 2.505 9.023 1.00 0.00 C ATOM 1061 C LYS A 68 2.386 1.066 9.007 1.00 0.00 C ATOM 1062 O LYS A 68 3.555 0.809 9.286 1.00 0.00 O ATOM 1063 CB LYS A 68 1.637 2.958 10.449 1.00 0.00 C ATOM 1064 CG LYS A 68 1.170 4.402 10.545 1.00 0.00 C ATOM 1065 CD LYS A 68 0.419 4.668 11.841 1.00 0.00 C ATOM 1066 CE LYS A 68 1.292 4.429 13.064 1.00 0.00 C ATOM 1067 NZ LYS A 68 1.546 2.979 13.298 1.00 0.00 N ATOM 0 H LYS A 68 -0.064 3.154 8.708 1.00 0.00 H new ATOM 0 HA LYS A 68 2.677 3.124 8.583 1.00 0.00 H new ATOM 0 HB2 LYS A 68 0.885 2.309 10.899 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.550 2.839 11.032 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.031 5.067 10.481 1.00 0.00 H new ATOM 0 HG3 LYS A 68 0.525 4.632 9.697 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.060 5.697 11.847 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -0.459 4.024 11.890 1.00 0.00 H new ATOM 0 HE2 LYS A 68 2.243 4.947 12.937 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.810 4.858 13.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.486 2.776 14.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 0.834 2.416 12.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 2.495 2.732 12.951 1.00 0.00 H new ATOM 1081 N GLY A 69 1.495 0.119 8.691 1.00 0.00 N ATOM 1082 CA GLY A 69 1.895 -1.282 8.626 1.00 0.00 C ATOM 1083 C GLY A 69 3.243 -1.447 7.947 1.00 0.00 C ATOM 1084 O GLY A 69 4.157 -2.057 8.503 1.00 0.00 O ATOM 0 H GLY A 69 0.513 0.296 8.481 1.00 0.00 H new ATOM 0 HA2 GLY A 69 1.941 -1.695 9.634 1.00 0.00 H new ATOM 0 HA3 GLY A 69 1.141 -1.852 8.083 1.00 0.00 H new ATOM 1088 N PHE A 70 3.358 -0.898 6.743 1.00 0.00 N ATOM 1089 CA PHE A 70 4.609 -0.944 6.006 1.00 0.00 C ATOM 1090 C PHE A 70 5.366 0.376 6.170 1.00 0.00 C ATOM 1091 O PHE A 70 6.564 0.394 6.456 1.00 0.00 O ATOM 1092 CB PHE A 70 4.385 -1.249 4.515 1.00 0.00 C ATOM 1093 CG PHE A 70 3.063 -0.802 3.954 1.00 0.00 C ATOM 1094 CD1 PHE A 70 1.891 -1.465 4.286 1.00 0.00 C ATOM 1095 CD2 PHE A 70 2.997 0.264 3.068 1.00 0.00 C ATOM 1096 CE1 PHE A 70 0.680 -1.067 3.752 1.00 0.00 C ATOM 1097 CE2 PHE A 70 1.789 0.663 2.527 1.00 0.00 C ATOM 1098 CZ PHE A 70 0.628 -0.003 2.871 1.00 0.00 C ATOM 0 H PHE A 70 2.599 -0.417 6.260 1.00 0.00 H new ATOM 0 HA PHE A 70 5.207 -1.756 6.420 1.00 0.00 H new ATOM 0 HB2 PHE A 70 5.182 -0.776 3.942 1.00 0.00 H new ATOM 0 HB3 PHE A 70 4.479 -2.324 4.364 1.00 0.00 H new ATOM 0 HD1 PHE A 70 1.925 -2.301 4.969 1.00 0.00 H new ATOM 0 HD2 PHE A 70 3.901 0.789 2.798 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -0.226 -1.588 4.023 1.00 0.00 H new ATOM 0 HE2 PHE A 70 1.753 1.493 1.837 1.00 0.00 H new ATOM 0 HZ PHE A 70 -0.318 0.307 2.452 1.00 0.00 H new ATOM 1108 N SER A 71 4.623 1.473 6.029 1.00 0.00 N ATOM 1109 CA SER A 71 5.162 2.832 6.105 1.00 0.00 C ATOM 1110 C SER A 71 5.531 3.263 7.522 1.00 0.00 C ATOM 1111 O SER A 71 5.958 4.397 7.728 1.00 0.00 O ATOM 1112 CB SER A 71 4.172 3.830 5.507 1.00 0.00 C ATOM 1113 OG SER A 71 2.850 3.565 5.942 1.00 0.00 O ATOM 0 H SER A 71 3.618 1.444 5.857 1.00 0.00 H new ATOM 0 HA SER A 71 6.086 2.823 5.527 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.455 4.843 5.793 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.216 3.782 4.419 1.00 0.00 H new ATOM 0 HG SER A 71 2.506 2.773 5.478 1.00 0.00 H new ATOM 1119 N SER A 72 5.356 2.386 8.506 1.00 0.00 N ATOM 1120 CA SER A 72 5.672 2.736 9.894 1.00 0.00 C ATOM 1121 C SER A 72 7.029 3.434 9.993 1.00 0.00 C ATOM 1122 O SER A 72 7.277 4.192 10.931 1.00 0.00 O ATOM 1123 CB SER A 72 5.671 1.486 10.778 1.00 0.00 C ATOM 1124 OG SER A 72 6.463 1.684 11.937 1.00 0.00 O ATOM 0 H SER A 72 5.002 1.438 8.375 1.00 0.00 H new ATOM 0 HA SER A 72 4.902 3.423 10.244 1.00 0.00 H new ATOM 0 HB2 SER A 72 4.649 1.242 11.069 1.00 0.00 H new ATOM 0 HB3 SER A 72 6.053 0.636 10.213 1.00 0.00 H new ATOM 0 HG SER A 72 6.446 0.873 12.487 1.00 0.00 H new ATOM 1130 N ASP A 73 7.906 3.176 9.028 1.00 0.00 N ATOM 1131 CA ASP A 73 9.220 3.803 9.004 1.00 0.00 C ATOM 1132 C ASP A 73 9.299 4.849 7.892 1.00 0.00 C ATOM 1133 O ASP A 73 10.346 5.025 7.266 1.00 0.00 O ATOM 1134 CB ASP A 73 10.310 2.755 8.811 1.00 0.00 C ATOM 1135 CG ASP A 73 10.083 1.521 9.661 1.00 0.00 C ATOM 1136 OD1 ASP A 73 10.538 1.509 10.825 1.00 0.00 O ATOM 1137 OD2 ASP A 73 9.449 0.565 9.165 1.00 0.00 O ATOM 0 H ASP A 73 7.729 2.537 8.253 1.00 0.00 H new ATOM 0 HA ASP A 73 9.375 4.299 9.962 1.00 0.00 H new ATOM 0 HB2 ASP A 73 10.351 2.467 7.761 1.00 0.00 H new ATOM 0 HB3 ASP A 73 11.277 3.191 9.060 1.00 0.00 H new ATOM 1142 N ALA A 74 8.186 5.542 7.648 1.00 0.00 N ATOM 1143 CA ALA A 74 8.132 6.568 6.608 1.00 0.00 C ATOM 1144 C ALA A 74 7.153 7.689 6.969 1.00 0.00 C ATOM 1145 O ALA A 74 7.537 8.673 7.602 1.00 0.00 O ATOM 1146 CB ALA A 74 7.760 5.947 5.269 1.00 0.00 C ATOM 0 H ALA A 74 7.311 5.411 8.156 1.00 0.00 H new ATOM 0 HA ALA A 74 9.125 7.011 6.529 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.724 6.724 4.505 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.506 5.202 4.994 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.783 5.470 5.348 1.00 0.00 H new ATOM 1152 N ARG A 75 5.889 7.537 6.569 1.00 0.00 N ATOM 1153 CA ARG A 75 4.870 8.547 6.849 1.00 0.00 C ATOM 1154 C ARG A 75 3.469 7.943 6.763 1.00 0.00 C ATOM 1155 O ARG A 75 3.315 6.724 6.702 1.00 0.00 O ATOM 1156 CB ARG A 75 5.004 9.715 5.869 1.00 0.00 C ATOM 1157 CG ARG A 75 6.375 10.369 5.892 1.00 0.00 C ATOM 1158 CD ARG A 75 6.381 11.676 5.119 1.00 0.00 C ATOM 1159 NE ARG A 75 5.458 12.654 5.690 1.00 0.00 N ATOM 1160 CZ ARG A 75 5.495 13.952 5.411 1.00 0.00 C ATOM 1161 NH1 ARG A 75 6.408 14.426 4.575 1.00 0.00 N ATOM 1162 NH2 ARG A 75 4.620 14.777 5.967 1.00 0.00 N ATOM 0 H ARG A 75 5.549 6.726 6.052 1.00 0.00 H new ATOM 0 HA ARG A 75 5.021 8.916 7.863 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.797 9.358 4.860 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.248 10.465 6.104 1.00 0.00 H new ATOM 0 HG2 ARG A 75 6.674 10.554 6.924 1.00 0.00 H new ATOM 0 HG3 ARG A 75 7.111 9.689 5.464 1.00 0.00 H new ATOM 0 HD2 ARG A 75 7.390 12.089 5.114 1.00 0.00 H new ATOM 0 HD3 ARG A 75 6.110 11.484 4.081 1.00 0.00 H new ATOM 0 HE ARG A 75 4.745 12.321 6.339 1.00 0.00 H new ATOM 0 HH11 ARG A 75 7.083 13.794 4.145 1.00 0.00 H new ATOM 0 HH12 ARG A 75 6.435 15.423 4.362 1.00 0.00 H new ATOM 0 HH21 ARG A 75 3.916 14.416 6.611 1.00 0.00 H new ATOM 0 HH22 ARG A 75 4.650 15.773 5.751 1.00 0.00 H new ATOM 1176 N ASP A 76 2.448 8.798 6.756 1.00 0.00 N ATOM 1177 CA ASP A 76 1.067 8.331 6.691 1.00 0.00 C ATOM 1178 C ASP A 76 0.318 8.926 5.498 1.00 0.00 C ATOM 1179 O ASP A 76 0.475 10.100 5.168 1.00 0.00 O ATOM 1180 CB ASP A 76 0.334 8.683 7.986 1.00 0.00 C ATOM 1181 CG ASP A 76 0.967 8.036 9.201 1.00 0.00 C ATOM 1182 OD1 ASP A 76 0.616 6.877 9.508 1.00 0.00 O ATOM 1183 OD2 ASP A 76 1.817 8.687 9.845 1.00 0.00 O ATOM 0 H ASP A 76 2.551 9.812 6.794 1.00 0.00 H new ATOM 0 HA ASP A 76 1.093 7.249 6.563 1.00 0.00 H new ATOM 0 HB2 ASP A 76 0.329 9.765 8.115 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.706 8.366 7.909 1.00 0.00 H new ATOM 1188 N LEU A 77 -0.499 8.089 4.862 1.00 0.00 N ATOM 1189 CA LEU A 77 -1.303 8.497 3.712 1.00 0.00 C ATOM 1190 C LEU A 77 -2.304 9.578 4.114 1.00 0.00 C ATOM 1191 O LEU A 77 -3.349 9.280 4.690 1.00 0.00 O ATOM 1192 CB LEU A 77 -2.047 7.279 3.165 1.00 0.00 C ATOM 1193 CG LEU A 77 -1.831 7.004 1.680 1.00 0.00 C ATOM 1194 CD1 LEU A 77 -1.319 5.588 1.464 1.00 0.00 C ATOM 1195 CD2 LEU A 77 -3.122 7.223 0.915 1.00 0.00 C ATOM 0 H LEU A 77 -0.622 7.112 5.128 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.646 8.905 2.944 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.739 6.400 3.730 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.114 7.414 3.343 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.079 7.699 1.305 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.172 5.413 0.398 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.371 5.460 1.987 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.047 4.875 1.852 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.956 7.024 -0.144 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.889 6.548 1.295 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.450 8.254 1.043 1.00 0.00 H new ATOM 1207 N SER A 78 -1.981 10.832 3.808 1.00 0.00 N ATOM 1208 CA SER A 78 -2.861 11.947 4.148 1.00 0.00 C ATOM 1209 C SER A 78 -3.967 12.101 3.110 1.00 0.00 C ATOM 1210 O SER A 78 -4.071 11.303 2.179 1.00 0.00 O ATOM 1211 CB SER A 78 -2.058 13.245 4.252 1.00 0.00 C ATOM 1212 OG SER A 78 -1.046 13.141 5.240 1.00 0.00 O ATOM 0 H SER A 78 -1.122 11.101 3.328 1.00 0.00 H new ATOM 0 HA SER A 78 -3.320 11.735 5.114 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.606 13.475 3.287 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.726 14.071 4.497 1.00 0.00 H new ATOM 0 HG SER A 78 -0.546 13.983 5.286 1.00 0.00 H new ATOM 1218 N ALA A 79 -4.792 13.132 3.276 1.00 0.00 N ATOM 1219 CA ALA A 79 -5.889 13.395 2.348 1.00 0.00 C ATOM 1220 C ALA A 79 -5.405 13.330 0.907 1.00 0.00 C ATOM 1221 O ALA A 79 -5.997 12.655 0.065 1.00 0.00 O ATOM 1222 CB ALA A 79 -6.491 14.759 2.628 1.00 0.00 C ATOM 0 H ALA A 79 -4.722 13.799 4.044 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.651 12.629 2.492 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -7.308 14.946 1.931 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -6.872 14.786 3.649 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.727 15.526 2.505 1.00 0.00 H new ATOM 1228 N LYS A 80 -4.320 14.042 0.639 1.00 0.00 N ATOM 1229 CA LYS A 80 -3.724 14.072 -0.689 1.00 0.00 C ATOM 1230 C LYS A 80 -3.527 12.657 -1.224 1.00 0.00 C ATOM 1231 O LYS A 80 -3.883 12.354 -2.360 1.00 0.00 O ATOM 1232 CB LYS A 80 -2.378 14.793 -0.636 1.00 0.00 C ATOM 1233 CG LYS A 80 -1.603 14.743 -1.943 1.00 0.00 C ATOM 1234 CD LYS A 80 -0.174 15.224 -1.759 1.00 0.00 C ATOM 1235 CE LYS A 80 -0.131 16.640 -1.207 1.00 0.00 C ATOM 1236 NZ LYS A 80 1.259 17.072 -0.896 1.00 0.00 N ATOM 0 H LYS A 80 -3.831 14.611 1.330 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.398 14.607 -1.358 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -2.545 15.835 -0.363 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -1.770 14.350 0.153 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -1.598 13.723 -2.326 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -2.103 15.361 -2.688 1.00 0.00 H new ATOM 0 HD2 LYS A 80 0.353 14.552 -1.082 1.00 0.00 H new ATOM 0 HD3 LYS A 80 0.349 15.189 -2.715 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -0.571 17.326 -1.931 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -0.739 16.697 -0.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 1.246 18.042 -0.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 1.670 16.433 -0.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 1.834 17.043 -1.762 1.00 0.00 H new ATOM 1250 N GLU A 81 -2.971 11.795 -0.382 1.00 0.00 N ATOM 1251 CA GLU A 81 -2.713 10.413 -0.747 1.00 0.00 C ATOM 1252 C GLU A 81 -4.011 9.630 -0.800 1.00 0.00 C ATOM 1253 O GLU A 81 -4.168 8.725 -1.609 1.00 0.00 O ATOM 1254 CB GLU A 81 -1.772 9.772 0.268 1.00 0.00 C ATOM 1255 CG GLU A 81 -0.633 10.674 0.716 1.00 0.00 C ATOM 1256 CD GLU A 81 0.218 11.159 -0.442 1.00 0.00 C ATOM 1257 OE1 GLU A 81 -0.219 12.090 -1.152 1.00 0.00 O ATOM 1258 OE2 GLU A 81 1.320 10.606 -0.639 1.00 0.00 O ATOM 0 H GLU A 81 -2.688 12.035 0.568 1.00 0.00 H new ATOM 0 HA GLU A 81 -2.248 10.396 -1.732 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -2.349 9.472 1.143 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -1.353 8.864 -0.165 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.043 11.534 1.246 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -0.004 10.134 1.423 1.00 0.00 H new ATOM 1265 N THR A 82 -4.943 9.960 0.085 1.00 0.00 N ATOM 1266 CA THR A 82 -6.233 9.288 0.085 1.00 0.00 C ATOM 1267 C THR A 82 -6.826 9.388 -1.317 1.00 0.00 C ATOM 1268 O THR A 82 -7.243 8.393 -1.916 1.00 0.00 O ATOM 1269 CB THR A 82 -7.171 9.949 1.131 1.00 0.00 C ATOM 1270 OG1 THR A 82 -6.857 9.464 2.443 1.00 0.00 O ATOM 1271 CG2 THR A 82 -8.653 9.707 0.846 1.00 0.00 C ATOM 0 H THR A 82 -4.832 10.678 0.801 1.00 0.00 H new ATOM 0 HA THR A 82 -6.116 8.238 0.355 1.00 0.00 H new ATOM 0 HB THR A 82 -7.000 11.024 1.067 1.00 0.00 H new ATOM 0 HG1 THR A 82 -7.333 8.623 2.603 1.00 0.00 H new ATOM 0 HG21 THR A 82 -9.255 10.194 1.613 1.00 0.00 H new ATOM 0 HG22 THR A 82 -8.907 10.118 -0.131 1.00 0.00 H new ATOM 0 HG23 THR A 82 -8.855 8.636 0.853 1.00 0.00 H new ATOM 1279 N LYS A 83 -6.836 10.609 -1.825 1.00 0.00 N ATOM 1280 CA LYS A 83 -7.322 10.883 -3.159 1.00 0.00 C ATOM 1281 C LYS A 83 -6.307 10.456 -4.217 1.00 0.00 C ATOM 1282 O LYS A 83 -6.681 10.121 -5.339 1.00 0.00 O ATOM 1283 CB LYS A 83 -7.638 12.373 -3.311 1.00 0.00 C ATOM 1284 CG LYS A 83 -8.709 12.872 -2.354 1.00 0.00 C ATOM 1285 CD LYS A 83 -10.095 12.821 -2.982 1.00 0.00 C ATOM 1286 CE LYS A 83 -10.488 11.402 -3.364 1.00 0.00 C ATOM 1287 NZ LYS A 83 -10.425 10.475 -2.200 1.00 0.00 N ATOM 0 H LYS A 83 -6.507 11.434 -1.323 1.00 0.00 H new ATOM 0 HA LYS A 83 -8.234 10.304 -3.309 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -6.725 12.947 -3.152 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -7.960 12.564 -4.335 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -8.698 12.266 -1.448 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -8.482 13.896 -2.056 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -10.827 13.225 -2.282 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -10.117 13.456 -3.868 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -11.498 11.403 -3.773 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -9.826 11.042 -4.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -11.252 9.844 -2.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -9.555 9.907 -2.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -10.424 11.025 -1.318 1.00 0.00 H new ATOM 1301 N THR A 84 -5.013 10.477 -3.865 1.00 0.00 N ATOM 1302 CA THR A 84 -3.978 10.143 -4.834 1.00 0.00 C ATOM 1303 C THR A 84 -3.649 8.652 -4.907 1.00 0.00 C ATOM 1304 O THR A 84 -3.765 8.041 -5.970 1.00 0.00 O ATOM 1305 CB THR A 84 -2.675 10.926 -4.562 1.00 0.00 C ATOM 1306 OG1 THR A 84 -2.940 12.334 -4.572 1.00 0.00 O ATOM 1307 CG2 THR A 84 -1.619 10.608 -5.612 1.00 0.00 C ATOM 0 H THR A 84 -4.670 10.717 -2.935 1.00 0.00 H new ATOM 0 HA THR A 84 -4.400 10.433 -5.796 1.00 0.00 H new ATOM 0 HB THR A 84 -2.299 10.627 -3.584 1.00 0.00 H new ATOM 0 HG1 THR A 84 -2.982 12.666 -3.651 1.00 0.00 H new ATOM 0 HG21 THR A 84 -0.711 11.172 -5.398 1.00 0.00 H new ATOM 0 HG22 THR A 84 -1.396 9.541 -5.593 1.00 0.00 H new ATOM 0 HG23 THR A 84 -1.992 10.883 -6.598 1.00 0.00 H new ATOM 1315 N LEU A 85 -3.240 8.068 -3.789 1.00 0.00 N ATOM 1316 CA LEU A 85 -2.860 6.652 -3.778 1.00 0.00 C ATOM 1317 C LEU A 85 -4.038 5.691 -3.635 1.00 0.00 C ATOM 1318 O LEU A 85 -4.166 4.759 -4.427 1.00 0.00 O ATOM 1319 CB LEU A 85 -1.824 6.371 -2.693 1.00 0.00 C ATOM 1320 CG LEU A 85 -0.458 7.023 -2.905 1.00 0.00 C ATOM 1321 CD1 LEU A 85 0.180 6.556 -4.207 1.00 0.00 C ATOM 1322 CD2 LEU A 85 -0.589 8.536 -2.882 1.00 0.00 C ATOM 0 H LEU A 85 -3.162 8.540 -2.888 1.00 0.00 H new ATOM 0 HA LEU A 85 -2.426 6.464 -4.760 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.224 6.708 -1.737 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.685 5.293 -2.618 1.00 0.00 H new ATOM 0 HG LEU A 85 0.196 6.717 -2.088 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.150 7.037 -4.330 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.312 5.474 -4.180 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.465 6.822 -5.044 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.391 8.988 -3.034 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.263 8.855 -3.677 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.989 8.852 -1.918 1.00 0.00 H new ATOM 1334 N MET A 86 -4.900 5.899 -2.640 1.00 0.00 N ATOM 1335 CA MET A 86 -6.031 4.982 -2.464 1.00 0.00 C ATOM 1336 C MET A 86 -6.921 5.015 -3.691 1.00 0.00 C ATOM 1337 O MET A 86 -7.316 3.972 -4.214 1.00 0.00 O ATOM 1338 CB MET A 86 -6.837 5.294 -1.205 1.00 0.00 C ATOM 1339 CG MET A 86 -5.960 5.533 0.012 1.00 0.00 C ATOM 1340 SD MET A 86 -4.885 4.124 0.369 1.00 0.00 S ATOM 1341 CE MET A 86 -3.521 4.413 -0.754 1.00 0.00 C ATOM 0 H MET A 86 -4.845 6.663 -1.966 1.00 0.00 H new ATOM 0 HA MET A 86 -5.626 3.978 -2.340 1.00 0.00 H new ATOM 0 HB2 MET A 86 -7.452 6.176 -1.382 1.00 0.00 H new ATOM 0 HB3 MET A 86 -7.517 4.467 -1.000 1.00 0.00 H new ATOM 0 HG2 MET A 86 -5.349 6.421 -0.151 1.00 0.00 H new ATOM 0 HG3 MET A 86 -6.591 5.735 0.878 1.00 0.00 H new ATOM 0 HE1 MET A 86 -2.591 4.089 -0.288 1.00 0.00 H new ATOM 0 HE2 MET A 86 -3.681 3.850 -1.674 1.00 0.00 H new ATOM 0 HE3 MET A 86 -3.459 5.476 -0.985 1.00 0.00 H new ATOM 1351 N ALA A 87 -7.235 6.215 -4.149 1.00 0.00 N ATOM 1352 CA ALA A 87 -8.050 6.377 -5.338 1.00 0.00 C ATOM 1353 C ALA A 87 -7.407 5.651 -6.520 1.00 0.00 C ATOM 1354 O ALA A 87 -8.090 5.247 -7.461 1.00 0.00 O ATOM 1355 CB ALA A 87 -8.240 7.855 -5.640 1.00 0.00 C ATOM 0 H ALA A 87 -6.938 7.089 -3.715 1.00 0.00 H new ATOM 0 HA ALA A 87 -9.031 5.936 -5.164 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -8.853 7.968 -6.534 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -8.735 8.338 -4.797 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -7.268 8.320 -5.805 1.00 0.00 H new ATOM 1361 N ALA A 88 -6.081 5.490 -6.459 1.00 0.00 N ATOM 1362 CA ALA A 88 -5.335 4.806 -7.509 1.00 0.00 C ATOM 1363 C ALA A 88 -5.421 3.296 -7.329 1.00 0.00 C ATOM 1364 O ALA A 88 -5.963 2.591 -8.181 1.00 0.00 O ATOM 1365 CB ALA A 88 -3.882 5.260 -7.508 1.00 0.00 C ATOM 0 H ALA A 88 -5.504 5.827 -5.688 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.778 5.063 -8.471 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -3.338 4.741 -8.297 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.837 6.335 -7.683 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.430 5.030 -6.543 1.00 0.00 H new ATOM 1371 N GLY A 89 -4.881 2.797 -6.214 1.00 0.00 N ATOM 1372 CA GLY A 89 -4.933 1.367 -5.942 1.00 0.00 C ATOM 1373 C GLY A 89 -6.341 0.837 -6.108 1.00 0.00 C ATOM 1374 O GLY A 89 -6.554 -0.301 -6.523 1.00 0.00 O ATOM 0 H GLY A 89 -4.412 3.354 -5.500 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -4.259 0.839 -6.617 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -4.584 1.173 -4.928 1.00 0.00 H new ATOM 1378 N ASP A 90 -7.298 1.694 -5.770 1.00 0.00 N ATOM 1379 CA ASP A 90 -8.714 1.390 -5.896 1.00 0.00 C ATOM 1380 C ASP A 90 -9.237 1.957 -7.213 1.00 0.00 C ATOM 1381 O ASP A 90 -10.353 2.459 -7.292 1.00 0.00 O ATOM 1382 CB ASP A 90 -9.492 1.958 -4.707 1.00 0.00 C ATOM 1383 CG ASP A 90 -10.983 1.711 -4.812 1.00 0.00 C ATOM 1384 OD1 ASP A 90 -11.374 0.608 -5.244 1.00 0.00 O ATOM 1385 OD2 ASP A 90 -11.760 2.619 -4.451 1.00 0.00 O ATOM 0 H ASP A 90 -7.109 2.625 -5.399 1.00 0.00 H new ATOM 0 HA ASP A 90 -8.854 0.309 -5.897 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -9.118 1.511 -3.786 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -9.310 3.030 -4.638 1.00 0.00 H new ATOM 1390 N LYS A 91 -8.389 1.880 -8.238 1.00 0.00 N ATOM 1391 CA LYS A 91 -8.669 2.388 -9.575 1.00 0.00 C ATOM 1392 C LYS A 91 -10.148 2.339 -9.946 1.00 0.00 C ATOM 1393 O LYS A 91 -10.654 3.228 -10.630 1.00 0.00 O ATOM 1394 CB LYS A 91 -7.878 1.525 -10.536 1.00 0.00 C ATOM 1395 CG LYS A 91 -7.745 2.087 -11.919 1.00 0.00 C ATOM 1396 CD LYS A 91 -9.046 1.990 -12.699 1.00 0.00 C ATOM 1397 CE LYS A 91 -8.835 1.322 -14.047 1.00 0.00 C ATOM 1398 NZ LYS A 91 -8.399 -0.093 -13.902 1.00 0.00 N ATOM 0 H LYS A 91 -7.467 1.452 -8.157 1.00 0.00 H new ATOM 0 HA LYS A 91 -8.387 3.440 -9.619 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -6.881 1.368 -10.125 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.354 0.547 -10.600 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -7.435 3.130 -11.858 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -6.960 1.552 -12.454 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -9.777 1.424 -12.121 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -9.459 2.988 -12.846 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.762 1.360 -14.620 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -8.087 1.876 -14.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -8.634 -0.619 -14.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -7.371 -0.125 -13.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -8.886 -0.525 -13.091 1.00 0.00 H new ATOM 1412 N ASP A 92 -10.831 1.307 -9.495 1.00 0.00 N ATOM 1413 CA ASP A 92 -12.257 1.154 -9.784 1.00 0.00 C ATOM 1414 C ASP A 92 -13.059 2.381 -9.333 1.00 0.00 C ATOM 1415 O ASP A 92 -14.185 2.591 -9.781 1.00 0.00 O ATOM 1416 CB ASP A 92 -12.803 -0.104 -9.105 1.00 0.00 C ATOM 1417 CG ASP A 92 -12.141 -1.369 -9.615 1.00 0.00 C ATOM 1418 OD1 ASP A 92 -12.617 -1.921 -10.631 1.00 0.00 O ATOM 1419 OD2 ASP A 92 -11.149 -1.809 -8.998 1.00 0.00 O ATOM 0 H ASP A 92 -10.431 0.560 -8.928 1.00 0.00 H new ATOM 0 HA ASP A 92 -12.367 1.059 -10.864 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -12.652 -0.027 -8.028 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -13.878 -0.167 -9.273 1.00 0.00 H new ATOM 1424 N GLY A 93 -12.473 3.184 -8.449 1.00 0.00 N ATOM 1425 CA GLY A 93 -13.135 4.388 -7.974 1.00 0.00 C ATOM 1426 C GLY A 93 -14.142 4.128 -6.872 1.00 0.00 C ATOM 1427 O GLY A 93 -15.307 4.503 -6.990 1.00 0.00 O ATOM 0 H GLY A 93 -11.548 3.022 -8.051 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -12.382 5.088 -7.610 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -13.640 4.870 -8.811 1.00 0.00 H new ATOM 1431 N ASP A 94 -13.695 3.487 -5.796 1.00 0.00 N ATOM 1432 CA ASP A 94 -14.574 3.191 -4.670 1.00 0.00 C ATOM 1433 C ASP A 94 -14.163 3.960 -3.413 1.00 0.00 C ATOM 1434 O ASP A 94 -14.887 3.954 -2.417 1.00 0.00 O ATOM 1435 CB ASP A 94 -14.576 1.691 -4.374 1.00 0.00 C ATOM 1436 CG ASP A 94 -15.216 0.883 -5.485 1.00 0.00 C ATOM 1437 OD1 ASP A 94 -16.453 0.711 -5.455 1.00 0.00 O ATOM 1438 OD2 ASP A 94 -14.483 0.422 -6.384 1.00 0.00 O ATOM 0 H ASP A 94 -12.734 3.164 -5.680 1.00 0.00 H new ATOM 0 HA ASP A 94 -15.578 3.509 -4.951 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -13.551 1.351 -4.226 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -15.110 1.508 -3.442 1.00 0.00 H new ATOM 1443 N GLY A 95 -13.008 4.623 -3.452 1.00 0.00 N ATOM 1444 CA GLY A 95 -12.552 5.365 -2.290 1.00 0.00 C ATOM 1445 C GLY A 95 -11.981 4.478 -1.198 1.00 0.00 C ATOM 1446 O GLY A 95 -11.563 4.958 -0.148 1.00 0.00 O ATOM 0 H GLY A 95 -12.386 4.659 -4.260 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -11.792 6.082 -2.601 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -13.385 5.939 -1.884 1.00 0.00 H new ATOM 1450 N LYS A 96 -11.972 3.184 -1.455 1.00 0.00 N ATOM 1451 CA LYS A 96 -11.468 2.198 -0.505 1.00 0.00 C ATOM 1452 C LYS A 96 -10.761 1.080 -1.259 1.00 0.00 C ATOM 1453 O LYS A 96 -11.180 0.706 -2.353 1.00 0.00 O ATOM 1454 CB LYS A 96 -12.624 1.627 0.337 1.00 0.00 C ATOM 1455 CG LYS A 96 -13.709 2.649 0.626 1.00 0.00 C ATOM 1456 CD LYS A 96 -14.682 2.162 1.684 1.00 0.00 C ATOM 1457 CE LYS A 96 -15.666 3.254 2.064 1.00 0.00 C ATOM 1458 NZ LYS A 96 -16.572 2.831 3.167 1.00 0.00 N ATOM 0 H LYS A 96 -12.313 2.782 -2.328 1.00 0.00 H new ATOM 0 HA LYS A 96 -10.759 2.680 0.168 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -13.063 0.778 -0.187 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -12.228 1.250 1.280 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -13.250 3.581 0.957 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -14.253 2.870 -0.292 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -15.224 1.293 1.312 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -14.132 1.840 2.568 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -15.118 4.146 2.367 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -16.260 3.526 1.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -17.227 3.606 3.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -17.115 1.995 2.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -16.008 2.596 4.009 1.00 0.00 H new ATOM 1472 N ILE A 97 -9.699 0.537 -0.679 1.00 0.00 N ATOM 1473 CA ILE A 97 -8.958 -0.525 -1.342 1.00 0.00 C ATOM 1474 C ILE A 97 -9.273 -1.887 -0.742 1.00 0.00 C ATOM 1475 O ILE A 97 -8.915 -2.180 0.398 1.00 0.00 O ATOM 1476 CB ILE A 97 -7.434 -0.282 -1.269 1.00 0.00 C ATOM 1477 CG1 ILE A 97 -7.069 1.039 -1.949 1.00 0.00 C ATOM 1478 CG2 ILE A 97 -6.667 -1.434 -1.910 1.00 0.00 C ATOM 1479 CD1 ILE A 97 -5.578 1.296 -1.999 1.00 0.00 C ATOM 0 H ILE A 97 -9.336 0.809 0.235 1.00 0.00 H new ATOM 0 HA ILE A 97 -9.272 -0.516 -2.386 1.00 0.00 H new ATOM 0 HB ILE A 97 -7.152 -0.225 -0.218 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -7.465 1.038 -2.965 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -7.554 1.859 -1.419 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -5.597 -1.239 -1.846 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -6.899 -2.361 -1.386 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -6.957 -1.526 -2.957 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -5.389 2.249 -2.494 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -5.180 1.329 -0.985 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -5.089 0.496 -2.555 1.00 0.00 H new ATOM 1491 N GLY A 98 -9.949 -2.713 -1.526 1.00 0.00 N ATOM 1492 CA GLY A 98 -10.282 -4.050 -1.091 1.00 0.00 C ATOM 1493 C GLY A 98 -9.208 -5.040 -1.478 1.00 0.00 C ATOM 1494 O GLY A 98 -8.315 -4.718 -2.262 1.00 0.00 O ATOM 0 H GLY A 98 -10.275 -2.477 -2.463 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -10.415 -4.060 -0.009 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -11.232 -4.351 -1.532 1.00 0.00 H new ATOM 1498 N VAL A 99 -9.285 -6.245 -0.931 1.00 0.00 N ATOM 1499 CA VAL A 99 -8.304 -7.278 -1.242 1.00 0.00 C ATOM 1500 C VAL A 99 -8.088 -7.401 -2.753 1.00 0.00 C ATOM 1501 O VAL A 99 -6.970 -7.636 -3.213 1.00 0.00 O ATOM 1502 CB VAL A 99 -8.727 -8.650 -0.670 1.00 0.00 C ATOM 1503 CG1 VAL A 99 -9.925 -9.211 -1.423 1.00 0.00 C ATOM 1504 CG2 VAL A 99 -7.559 -9.621 -0.704 1.00 0.00 C ATOM 0 H VAL A 99 -10.011 -6.531 -0.274 1.00 0.00 H new ATOM 0 HA VAL A 99 -7.368 -6.976 -0.773 1.00 0.00 H new ATOM 0 HB VAL A 99 -9.026 -8.510 0.369 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -10.201 -10.177 -1.000 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -10.765 -8.522 -1.335 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -9.668 -9.336 -2.475 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -7.873 -10.582 -0.298 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -7.226 -9.753 -1.733 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -6.739 -9.225 -0.105 1.00 0.00 H new ATOM 1514 N GLU A 100 -9.169 -7.238 -3.518 1.00 0.00 N ATOM 1515 CA GLU A 100 -9.097 -7.335 -4.977 1.00 0.00 C ATOM 1516 C GLU A 100 -8.415 -6.108 -5.564 1.00 0.00 C ATOM 1517 O GLU A 100 -7.448 -6.213 -6.317 1.00 0.00 O ATOM 1518 CB GLU A 100 -10.486 -7.472 -5.622 1.00 0.00 C ATOM 1519 CG GLU A 100 -11.612 -7.787 -4.665 1.00 0.00 C ATOM 1520 CD GLU A 100 -11.418 -9.098 -3.931 1.00 0.00 C ATOM 1521 OE1 GLU A 100 -10.560 -9.899 -4.362 1.00 0.00 O ATOM 1522 OE2 GLU A 100 -12.125 -9.327 -2.927 1.00 0.00 O ATOM 0 H GLU A 100 -10.101 -7.039 -3.154 1.00 0.00 H new ATOM 0 HA GLU A 100 -8.519 -8.233 -5.196 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -10.721 -6.543 -6.141 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -10.442 -8.257 -6.377 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -11.700 -6.980 -3.938 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -12.551 -7.822 -5.217 1.00 0.00 H new ATOM 1529 N GLU A 101 -8.940 -4.942 -5.204 1.00 0.00 N ATOM 1530 CA GLU A 101 -8.417 -3.672 -5.691 1.00 0.00 C ATOM 1531 C GLU A 101 -6.936 -3.509 -5.366 1.00 0.00 C ATOM 1532 O GLU A 101 -6.185 -2.902 -6.134 1.00 0.00 O ATOM 1533 CB GLU A 101 -9.214 -2.524 -5.087 1.00 0.00 C ATOM 1534 CG GLU A 101 -10.591 -2.349 -5.700 1.00 0.00 C ATOM 1535 CD GLU A 101 -11.387 -3.640 -5.741 1.00 0.00 C ATOM 1536 OE1 GLU A 101 -11.999 -3.991 -4.712 1.00 0.00 O ATOM 1537 OE2 GLU A 101 -11.396 -4.298 -6.802 1.00 0.00 O ATOM 0 H GLU A 101 -9.734 -4.851 -4.571 1.00 0.00 H new ATOM 0 HA GLU A 101 -8.519 -3.660 -6.776 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -9.322 -2.692 -4.015 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -8.651 -1.599 -5.209 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -11.145 -1.604 -5.129 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -10.486 -1.961 -6.713 1.00 0.00 H new ATOM 1544 N PHE A 102 -6.515 -4.051 -4.228 1.00 0.00 N ATOM 1545 CA PHE A 102 -5.121 -3.950 -3.816 1.00 0.00 C ATOM 1546 C PHE A 102 -4.204 -4.425 -4.935 1.00 0.00 C ATOM 1547 O PHE A 102 -3.074 -3.959 -5.066 1.00 0.00 O ATOM 1548 CB PHE A 102 -4.870 -4.771 -2.554 1.00 0.00 C ATOM 1549 CG PHE A 102 -3.671 -4.323 -1.779 1.00 0.00 C ATOM 1550 CD1 PHE A 102 -3.786 -3.358 -0.792 1.00 0.00 C ATOM 1551 CD2 PHE A 102 -2.433 -4.865 -2.041 1.00 0.00 C ATOM 1552 CE1 PHE A 102 -2.677 -2.945 -0.077 1.00 0.00 C ATOM 1553 CE2 PHE A 102 -1.319 -4.458 -1.333 1.00 0.00 C ATOM 1554 CZ PHE A 102 -1.441 -3.496 -0.349 1.00 0.00 C ATOM 0 H PHE A 102 -7.115 -4.561 -3.579 1.00 0.00 H new ATOM 0 HA PHE A 102 -4.905 -2.904 -3.599 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -5.749 -4.714 -1.912 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -4.744 -5.818 -2.830 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -4.752 -2.924 -0.579 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -2.332 -5.617 -2.809 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -2.778 -2.193 0.692 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -0.354 -4.891 -1.548 1.00 0.00 H new ATOM 0 HZ PHE A 102 -0.572 -3.176 0.206 1.00 0.00 H new ATOM 1564 N SER A 103 -4.702 -5.356 -5.741 1.00 0.00 N ATOM 1565 CA SER A 103 -3.933 -5.880 -6.857 1.00 0.00 C ATOM 1566 C SER A 103 -3.891 -4.859 -7.985 1.00 0.00 C ATOM 1567 O SER A 103 -2.864 -4.683 -8.640 1.00 0.00 O ATOM 1568 CB SER A 103 -4.533 -7.196 -7.359 1.00 0.00 C ATOM 1569 OG SER A 103 -5.814 -6.988 -7.927 1.00 0.00 O ATOM 0 H SER A 103 -5.633 -5.761 -5.641 1.00 0.00 H new ATOM 0 HA SER A 103 -2.917 -6.075 -6.515 1.00 0.00 H new ATOM 0 HB2 SER A 103 -3.871 -7.642 -8.101 1.00 0.00 H new ATOM 0 HB3 SER A 103 -4.608 -7.903 -6.533 1.00 0.00 H new ATOM 0 HG SER A 103 -6.497 -7.056 -7.227 1.00 0.00 H new ATOM 1575 N THR A 104 -5.016 -4.183 -8.203 1.00 0.00 N ATOM 1576 CA THR A 104 -5.101 -3.167 -9.242 1.00 0.00 C ATOM 1577 C THR A 104 -4.003 -2.132 -9.048 1.00 0.00 C ATOM 1578 O THR A 104 -3.424 -1.631 -10.013 1.00 0.00 O ATOM 1579 CB THR A 104 -6.473 -2.463 -9.244 1.00 0.00 C ATOM 1580 OG1 THR A 104 -7.517 -3.430 -9.419 1.00 0.00 O ATOM 1581 CG2 THR A 104 -6.545 -1.429 -10.357 1.00 0.00 C ATOM 0 H THR A 104 -5.877 -4.321 -7.675 1.00 0.00 H new ATOM 0 HA THR A 104 -4.976 -3.668 -10.202 1.00 0.00 H new ATOM 0 HB THR A 104 -6.601 -1.957 -8.287 1.00 0.00 H new ATOM 0 HG1 THR A 104 -8.386 -2.977 -9.418 1.00 0.00 H new ATOM 0 HG21 THR A 104 -7.521 -0.944 -10.341 1.00 0.00 H new ATOM 0 HG22 THR A 104 -5.766 -0.681 -10.210 1.00 0.00 H new ATOM 0 HG23 THR A 104 -6.400 -1.920 -11.319 1.00 0.00 H new ATOM 1589 N LEU A 105 -3.725 -1.819 -7.787 1.00 0.00 N ATOM 1590 CA LEU A 105 -2.681 -0.860 -7.446 1.00 0.00 C ATOM 1591 C LEU A 105 -1.362 -1.289 -8.074 1.00 0.00 C ATOM 1592 O LEU A 105 -0.630 -0.471 -8.632 1.00 0.00 O ATOM 1593 CB LEU A 105 -2.540 -0.770 -5.928 1.00 0.00 C ATOM 1594 CG LEU A 105 -1.889 0.506 -5.396 1.00 0.00 C ATOM 1595 CD1 LEU A 105 -1.672 0.401 -3.896 1.00 0.00 C ATOM 1596 CD2 LEU A 105 -0.584 0.780 -6.118 1.00 0.00 C ATOM 0 H LEU A 105 -4.210 -2.217 -6.982 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.952 0.122 -7.834 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.531 -0.862 -5.484 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -1.956 -1.624 -5.585 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.559 1.345 -5.585 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.208 1.317 -3.531 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -2.631 0.257 -3.399 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -1.021 -0.447 -3.681 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -0.136 1.693 -5.725 1.00 0.00 H new ATOM 0 HD22 LEU A 105 0.099 -0.055 -5.964 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -0.776 0.900 -7.184 1.00 0.00 H new ATOM 1608 N VAL A 106 -1.067 -2.584 -7.987 1.00 0.00 N ATOM 1609 CA VAL A 106 0.155 -3.124 -8.562 1.00 0.00 C ATOM 1610 C VAL A 106 0.237 -2.762 -10.037 1.00 0.00 C ATOM 1611 O VAL A 106 1.317 -2.510 -10.571 1.00 0.00 O ATOM 1612 CB VAL A 106 0.228 -4.654 -8.414 1.00 0.00 C ATOM 1613 CG1 VAL A 106 1.528 -5.186 -8.997 1.00 0.00 C ATOM 1614 CG2 VAL A 106 0.084 -5.057 -6.954 1.00 0.00 C ATOM 0 H VAL A 106 -1.658 -3.275 -7.524 1.00 0.00 H new ATOM 0 HA VAL A 106 0.993 -2.687 -8.019 1.00 0.00 H new ATOM 0 HB VAL A 106 -0.599 -5.094 -8.971 1.00 0.00 H new ATOM 0 HG11 VAL A 106 1.561 -6.270 -8.883 1.00 0.00 H new ATOM 0 HG12 VAL A 106 1.584 -4.931 -10.055 1.00 0.00 H new ATOM 0 HG13 VAL A 106 2.372 -4.740 -8.471 1.00 0.00 H new ATOM 0 HG21 VAL A 106 0.138 -6.142 -6.869 1.00 0.00 H new ATOM 0 HG22 VAL A 106 0.888 -4.607 -6.371 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -0.877 -4.711 -6.574 1.00 0.00 H new ATOM 1624 N ALA A 107 -0.920 -2.740 -10.691 1.00 0.00 N ATOM 1625 CA ALA A 107 -0.996 -2.390 -12.101 1.00 0.00 C ATOM 1626 C ALA A 107 -0.880 -0.882 -12.271 1.00 0.00 C ATOM 1627 O ALA A 107 -0.367 -0.396 -13.280 1.00 0.00 O ATOM 1628 CB ALA A 107 -2.296 -2.896 -12.708 1.00 0.00 C ATOM 0 H ALA A 107 -1.819 -2.961 -10.264 1.00 0.00 H new ATOM 0 HA ALA A 107 -0.167 -2.867 -12.624 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -2.335 -2.625 -13.763 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -2.345 -3.980 -12.610 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -3.141 -2.446 -12.186 1.00 0.00 H new ATOM 1634 N GLU A 108 -1.362 -0.148 -11.273 1.00 0.00 N ATOM 1635 CA GLU A 108 -1.305 1.307 -11.301 1.00 0.00 C ATOM 1636 C GLU A 108 0.141 1.778 -11.354 1.00 0.00 C ATOM 1637 O GLU A 108 0.582 2.361 -12.344 1.00 0.00 O ATOM 1638 CB GLU A 108 -1.986 1.898 -10.068 1.00 0.00 C ATOM 1639 CG GLU A 108 -3.497 1.736 -10.074 1.00 0.00 C ATOM 1640 CD GLU A 108 -4.206 2.915 -10.710 1.00 0.00 C ATOM 1641 OE1 GLU A 108 -4.472 3.903 -9.994 1.00 0.00 O ATOM 1642 OE2 GLU A 108 -4.494 2.850 -11.923 1.00 0.00 O ATOM 0 H GLU A 108 -1.796 -0.538 -10.436 1.00 0.00 H new ATOM 0 HA GLU A 108 -1.830 1.648 -12.193 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -1.581 1.421 -9.175 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -1.742 2.958 -10.001 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -3.759 0.825 -10.613 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -3.850 1.614 -9.050 1.00 0.00 H new ATOM 1649 N SER A 109 0.874 1.519 -10.275 1.00 0.00 N ATOM 1650 CA SER A 109 2.270 1.916 -10.184 1.00 0.00 C ATOM 1651 C SER A 109 3.085 1.312 -11.324 1.00 0.00 C ATOM 1652 O SER A 109 3.608 0.192 -11.150 1.00 0.00 O ATOM 1653 CB SER A 109 2.855 1.485 -8.840 1.00 0.00 C ATOM 1654 OG SER A 109 4.267 1.553 -8.858 1.00 0.00 O ATOM 1655 OXT SER A 109 3.193 1.966 -12.383 1.00 0.00 O ATOM 0 H SER A 109 0.520 1.034 -9.450 1.00 0.00 H new ATOM 0 HA SER A 109 2.319 3.002 -10.264 1.00 0.00 H new ATOM 0 HB2 SER A 109 2.466 2.125 -8.048 1.00 0.00 H new ATOM 0 HB3 SER A 109 2.539 0.467 -8.611 1.00 0.00 H new ATOM 0 HG SER A 109 4.583 2.009 -8.050 1.00 0.00 H new TER 1661 SER A 109