USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 858 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 1 GLY N :NH3+ -148:sc= 0 (180deg=0) USER MOD Set 1.2: A 34 ASN : amide:sc= -0.414 X(o=-0.41,f=-0.81) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl 162:sc= -0.224 (180deg=-0.78) USER MOD Single : A 6 SER OG : rot 62:sc= -1.28! USER MOD Single : A 8 THR OG1 : rot -96:sc= 0.721 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl 154:sc= -0.063 (180deg=-0.873) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -1.01 K(o=-1,f=-1.6) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl 160:sc= -0.169 (180deg=-0.936) USER MOD Single : A 60 THR OG1 : rot 180:sc= -1.76! USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.0268 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 CYS SG : rot 180:sc= -4.18! USER MOD Single : A 69 THR OG1 : rot 73:sc= 0.916 USER MOD Single : A 75 GLN : amide:sc= -0.472 K(o=-0.47,f=-2.1!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 120:sc= 0.771 USER MOD Single : A 92 ASN : amide:sc= -6.05! C(o=-6!,f=-7.5!) USER MOD Single : A 96 ASN :FLIP amide:sc= -0.926 F(o=-2.2!,f=-0.93) USER MOD Single : A 103 LYS NZ :NH3+ -174:sc= 0.34 (180deg=0.165) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=-0.0066) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.711 -2.752 1.393 1.00 25.01 N ATOM 2 CA GLY A 1 13.862 -3.869 1.872 1.00 41.02 C ATOM 3 C GLY A 1 14.115 -5.148 1.097 1.00 13.33 C ATOM 4 O GLY A 1 13.713 -5.257 -0.063 1.00 73.03 O ATOM 0 H1 GLY A 1 14.936 -2.121 2.189 1.00 25.01 H new ATOM 0 H2 GLY A 1 15.592 -3.133 0.993 1.00 25.01 H new ATOM 0 H3 GLY A 1 14.201 -2.217 0.661 1.00 25.01 H new ATOM 0 HA2 GLY A 1 14.055 -4.043 2.931 1.00 41.02 H new ATOM 0 HA3 GLY A 1 12.812 -3.591 1.780 1.00 41.02 H new ATOM 10 N PRO A 2 14.805 -6.134 1.700 1.00 22.03 N ATOM 11 CA PRO A 2 15.111 -7.406 1.052 1.00 23.13 C ATOM 12 C PRO A 2 13.942 -8.394 1.126 1.00 42.41 C ATOM 13 O PRO A 2 13.568 -8.848 2.213 1.00 12.44 O ATOM 14 CB PRO A 2 16.327 -7.938 1.846 1.00 33.35 C ATOM 15 CG PRO A 2 16.607 -6.922 2.916 1.00 12.33 C ATOM 16 CD PRO A 2 15.360 -6.093 3.058 1.00 64.52 C ATOM 0 HA PRO A 2 15.308 -7.282 -0.013 1.00 23.13 H new ATOM 0 HB2 PRO A 2 16.110 -8.913 2.282 1.00 33.35 H new ATOM 0 HB3 PRO A 2 17.192 -8.065 1.195 1.00 33.35 H new ATOM 0 HG2 PRO A 2 16.857 -7.410 3.858 1.00 12.33 H new ATOM 0 HG3 PRO A 2 17.458 -6.298 2.644 1.00 12.33 H new ATOM 0 HD2 PRO A 2 14.673 -6.514 3.792 1.00 64.52 H new ATOM 0 HD3 PRO A 2 15.582 -5.075 3.377 1.00 64.52 H new ATOM 24 N GLY A 3 13.363 -8.709 -0.029 1.00 34.31 N ATOM 25 CA GLY A 3 12.305 -9.705 -0.099 1.00 4.55 C ATOM 26 C GLY A 3 10.937 -9.143 0.243 1.00 14.12 C ATOM 27 O GLY A 3 10.800 -7.945 0.501 1.00 52.42 O ATOM 0 H GLY A 3 13.609 -8.289 -0.925 1.00 34.31 H new ATOM 0 HA2 GLY A 3 12.277 -10.127 -1.103 1.00 4.55 H new ATOM 0 HA3 GLY A 3 12.537 -10.522 0.584 1.00 4.55 H new ATOM 31 N SER A 4 9.928 -10.016 0.222 1.00 74.23 N ATOM 32 CA SER A 4 8.549 -9.651 0.560 1.00 1.31 C ATOM 33 C SER A 4 7.939 -8.711 -0.488 1.00 12.35 C ATOM 34 O SER A 4 6.851 -8.164 -0.288 1.00 13.22 O ATOM 35 CB SER A 4 8.486 -9.026 1.962 1.00 31.42 C ATOM 36 OG SER A 4 8.961 -9.936 2.945 1.00 11.44 O ATOM 0 H SER A 4 10.043 -10.998 -0.030 1.00 74.23 H new ATOM 0 HA SER A 4 7.954 -10.564 0.561 1.00 1.31 H new ATOM 0 HB2 SER A 4 9.084 -8.115 1.985 1.00 31.42 H new ATOM 0 HB3 SER A 4 7.459 -8.740 2.191 1.00 31.42 H new ATOM 0 HG SER A 4 8.913 -9.516 3.829 1.00 11.44 H new ATOM 42 N MET A 5 8.630 -8.561 -1.615 1.00 4.11 N ATOM 43 CA MET A 5 8.158 -7.721 -2.714 1.00 43.02 C ATOM 44 C MET A 5 6.930 -8.356 -3.375 1.00 1.23 C ATOM 45 O MET A 5 7.044 -9.182 -4.284 1.00 24.01 O ATOM 46 CB MET A 5 9.285 -7.498 -3.740 1.00 1.44 C ATOM 47 CG MET A 5 9.934 -8.783 -4.239 1.00 74.41 C ATOM 48 SD MET A 5 11.295 -8.491 -5.388 1.00 20.42 S ATOM 49 CE MET A 5 12.382 -7.471 -4.389 1.00 64.54 C ATOM 0 H MET A 5 9.526 -9.014 -1.792 1.00 4.11 H new ATOM 0 HA MET A 5 7.866 -6.749 -2.316 1.00 43.02 H new ATOM 0 HB2 MET A 5 8.883 -6.952 -4.593 1.00 1.44 H new ATOM 0 HB3 MET A 5 10.052 -6.867 -3.290 1.00 1.44 H new ATOM 0 HG2 MET A 5 10.303 -9.351 -3.385 1.00 74.41 H new ATOM 0 HG3 MET A 5 9.179 -9.398 -4.729 1.00 74.41 H new ATOM 0 HE1 MET A 5 13.383 -7.474 -4.821 1.00 64.54 H new ATOM 0 HE2 MET A 5 12.001 -6.450 -4.363 1.00 64.54 H new ATOM 0 HE3 MET A 5 12.424 -7.869 -3.375 1.00 64.54 H new ATOM 59 N SER A 6 5.754 -7.982 -2.889 1.00 44.35 N ATOM 60 CA SER A 6 4.500 -8.587 -3.329 1.00 0.41 C ATOM 61 C SER A 6 3.861 -7.765 -4.448 1.00 75.42 C ATOM 62 O SER A 6 3.088 -8.282 -5.257 1.00 73.32 O ATOM 63 CB SER A 6 3.550 -8.700 -2.132 1.00 72.02 C ATOM 64 OG SER A 6 4.199 -9.340 -1.042 1.00 12.14 O ATOM 0 H SER A 6 5.640 -7.255 -2.183 1.00 44.35 H new ATOM 0 HA SER A 6 4.703 -9.582 -3.726 1.00 0.41 H new ATOM 0 HB2 SER A 6 3.214 -7.708 -1.831 1.00 72.02 H new ATOM 0 HB3 SER A 6 2.662 -9.264 -2.417 1.00 72.02 H new ATOM 0 HG SER A 6 4.971 -8.805 -0.761 1.00 12.14 H new ATOM 70 N GLU A 7 4.217 -6.488 -4.497 1.00 43.13 N ATOM 71 CA GLU A 7 3.676 -5.553 -5.490 1.00 45.04 C ATOM 72 C GLU A 7 4.279 -5.798 -6.879 1.00 33.53 C ATOM 73 O GLU A 7 3.942 -5.105 -7.838 1.00 42.21 O ATOM 74 CB GLU A 7 3.922 -4.096 -5.046 1.00 53.00 C ATOM 75 CG GLU A 7 5.390 -3.656 -5.061 1.00 44.15 C ATOM 76 CD GLU A 7 6.302 -4.583 -4.271 1.00 23.53 C ATOM 77 OE1 GLU A 7 6.146 -4.664 -3.033 1.00 44.52 O ATOM 78 OE2 GLU A 7 7.149 -5.260 -4.888 1.00 31.33 O ATOM 0 H GLU A 7 4.887 -6.066 -3.854 1.00 43.13 H new ATOM 0 HA GLU A 7 2.602 -5.725 -5.559 1.00 45.04 H new ATOM 0 HB2 GLU A 7 3.352 -3.432 -5.696 1.00 53.00 H new ATOM 0 HB3 GLU A 7 3.530 -3.968 -4.037 1.00 53.00 H new ATOM 0 HG2 GLU A 7 5.738 -3.608 -6.093 1.00 44.15 H new ATOM 0 HG3 GLU A 7 5.465 -2.648 -4.652 1.00 44.15 H new ATOM 85 N THR A 8 5.137 -6.813 -6.987 1.00 44.04 N ATOM 86 CA THR A 8 5.811 -7.148 -8.244 1.00 33.42 C ATOM 87 C THR A 8 4.866 -7.826 -9.254 1.00 22.14 C ATOM 88 O THR A 8 5.299 -8.625 -10.087 1.00 23.40 O ATOM 89 CB THR A 8 7.029 -8.068 -7.973 1.00 20.23 C ATOM 90 OG1 THR A 8 6.643 -9.167 -7.131 1.00 24.14 O ATOM 91 CG2 THR A 8 8.166 -7.297 -7.315 1.00 72.21 C ATOM 0 H THR A 8 5.384 -7.425 -6.209 1.00 44.04 H new ATOM 0 HA THR A 8 6.147 -6.209 -8.684 1.00 33.42 H new ATOM 0 HB THR A 8 7.379 -8.449 -8.932 1.00 20.23 H new ATOM 0 HG1 THR A 8 6.858 -8.956 -6.198 1.00 24.14 H new ATOM 0 HG21 THR A 8 9.006 -7.969 -7.137 1.00 72.21 H new ATOM 0 HG22 THR A 8 8.482 -6.486 -7.970 1.00 72.21 H new ATOM 0 HG23 THR A 8 7.824 -6.884 -6.366 1.00 72.21 H new ATOM 99 N SER A 9 3.587 -7.466 -9.211 1.00 34.43 N ATOM 100 CA SER A 9 2.578 -8.051 -10.091 1.00 3.21 C ATOM 101 C SER A 9 2.519 -7.301 -11.431 1.00 33.11 C ATOM 102 O SER A 9 1.454 -7.163 -12.035 1.00 43.21 O ATOM 103 CB SER A 9 1.215 -8.006 -9.389 1.00 52.11 C ATOM 104 OG SER A 9 1.293 -8.572 -8.087 1.00 13.53 O ATOM 0 H SER A 9 3.221 -6.764 -8.568 1.00 34.43 H new ATOM 0 HA SER A 9 2.845 -9.086 -10.303 1.00 3.21 H new ATOM 0 HB2 SER A 9 0.871 -6.974 -9.321 1.00 52.11 H new ATOM 0 HB3 SER A 9 0.479 -8.549 -9.982 1.00 52.11 H new ATOM 0 HG SER A 9 0.412 -8.530 -7.659 1.00 13.53 H new ATOM 110 N ALA A 10 3.678 -6.842 -11.899 1.00 51.23 N ATOM 111 CA ALA A 10 3.775 -6.085 -13.144 1.00 63.25 C ATOM 112 C ALA A 10 5.100 -6.402 -13.842 1.00 14.15 C ATOM 113 O ALA A 10 6.046 -6.850 -13.191 1.00 73.21 O ATOM 114 CB ALA A 10 3.654 -4.588 -12.857 1.00 25.54 C ATOM 0 H ALA A 10 4.572 -6.984 -11.428 1.00 51.23 H new ATOM 0 HA ALA A 10 2.959 -6.373 -13.807 1.00 63.25 H new ATOM 0 HB1 ALA A 10 3.727 -4.031 -13.791 1.00 25.54 H new ATOM 0 HB2 ALA A 10 2.691 -4.384 -12.388 1.00 25.54 H new ATOM 0 HB3 ALA A 10 4.457 -4.280 -12.187 1.00 25.54 H new ATOM 120 N PRO A 11 5.187 -6.189 -15.173 1.00 62.23 N ATOM 121 CA PRO A 11 6.420 -6.446 -15.937 1.00 31.24 C ATOM 122 C PRO A 11 7.595 -5.612 -15.422 1.00 52.12 C ATOM 123 O PRO A 11 7.412 -4.473 -14.990 1.00 60.32 O ATOM 124 CB PRO A 11 6.048 -6.061 -17.379 1.00 22.45 C ATOM 125 CG PRO A 11 4.847 -5.182 -17.248 1.00 61.43 C ATOM 126 CD PRO A 11 4.106 -5.675 -16.035 1.00 53.34 C ATOM 0 HA PRO A 11 6.752 -7.481 -15.849 1.00 31.24 H new ATOM 0 HB2 PRO A 11 6.868 -5.538 -17.872 1.00 22.45 H new ATOM 0 HB3 PRO A 11 5.827 -6.944 -17.979 1.00 22.45 H new ATOM 0 HG2 PRO A 11 5.138 -4.138 -17.131 1.00 61.43 H new ATOM 0 HG3 PRO A 11 4.221 -5.240 -18.139 1.00 61.43 H new ATOM 0 HD2 PRO A 11 3.549 -4.874 -15.549 1.00 53.34 H new ATOM 0 HD3 PRO A 11 3.388 -6.454 -16.290 1.00 53.34 H new ATOM 134 N ALA A 12 8.797 -6.186 -15.496 1.00 22.41 N ATOM 135 CA ALA A 12 9.986 -5.631 -14.844 1.00 34.30 C ATOM 136 C ALA A 12 10.200 -4.145 -15.137 1.00 71.13 C ATOM 137 O ALA A 12 10.491 -3.371 -14.227 1.00 15.24 O ATOM 138 CB ALA A 12 11.224 -6.426 -15.247 1.00 21.43 C ATOM 0 H ALA A 12 8.974 -7.049 -16.010 1.00 22.41 H new ATOM 0 HA ALA A 12 9.819 -5.716 -13.770 1.00 34.30 H new ATOM 0 HB1 ALA A 12 12.102 -6.005 -14.757 1.00 21.43 H new ATOM 0 HB2 ALA A 12 11.103 -7.466 -14.944 1.00 21.43 H new ATOM 0 HB3 ALA A 12 11.353 -6.375 -16.328 1.00 21.43 H new ATOM 144 N GLU A 13 10.043 -3.747 -16.397 1.00 55.32 N ATOM 145 CA GLU A 13 10.379 -2.382 -16.814 1.00 61.01 C ATOM 146 C GLU A 13 9.491 -1.359 -16.098 1.00 54.31 C ATOM 147 O GLU A 13 9.986 -0.413 -15.480 1.00 33.42 O ATOM 148 CB GLU A 13 10.240 -2.211 -18.339 1.00 70.34 C ATOM 149 CG GLU A 13 11.079 -3.182 -19.176 1.00 51.15 C ATOM 150 CD GLU A 13 10.613 -4.628 -19.074 1.00 53.32 C ATOM 151 OE1 GLU A 13 9.399 -4.881 -19.238 1.00 72.10 O ATOM 152 OE2 GLU A 13 11.453 -5.520 -18.835 1.00 22.23 O ATOM 0 H GLU A 13 9.688 -4.343 -17.145 1.00 55.32 H new ATOM 0 HA GLU A 13 11.419 -2.206 -16.539 1.00 61.01 H new ATOM 0 HB2 GLU A 13 9.191 -2.334 -18.610 1.00 70.34 H new ATOM 0 HB3 GLU A 13 10.520 -1.191 -18.603 1.00 70.34 H new ATOM 0 HG2 GLU A 13 11.047 -2.871 -20.220 1.00 51.15 H new ATOM 0 HG3 GLU A 13 12.119 -3.120 -18.856 1.00 51.15 H new ATOM 159 N GLU A 14 8.181 -1.568 -16.175 1.00 35.21 N ATOM 160 CA GLU A 14 7.210 -0.663 -15.566 1.00 74.25 C ATOM 161 C GLU A 14 7.231 -0.803 -14.043 1.00 51.11 C ATOM 162 O GLU A 14 7.237 0.194 -13.304 1.00 74.14 O ATOM 163 CB GLU A 14 5.811 -0.966 -16.124 1.00 50.44 C ATOM 164 CG GLU A 14 4.706 -0.062 -15.590 1.00 24.33 C ATOM 165 CD GLU A 14 3.401 -0.238 -16.352 1.00 31.12 C ATOM 166 OE1 GLU A 14 2.438 -0.809 -15.799 1.00 33.30 O ATOM 167 OE2 GLU A 14 3.339 0.190 -17.524 1.00 20.54 O ATOM 0 H GLU A 14 7.763 -2.364 -16.658 1.00 35.21 H new ATOM 0 HA GLU A 14 7.473 0.366 -15.810 1.00 74.25 H new ATOM 0 HB2 GLU A 14 5.841 -0.879 -17.210 1.00 50.44 H new ATOM 0 HB3 GLU A 14 5.559 -2.001 -15.894 1.00 50.44 H new ATOM 0 HG2 GLU A 14 4.540 -0.278 -14.535 1.00 24.33 H new ATOM 0 HG3 GLU A 14 5.026 0.978 -15.656 1.00 24.33 H new ATOM 174 N LEU A 15 7.277 -2.051 -13.588 1.00 15.51 N ATOM 175 CA LEU A 15 7.279 -2.364 -12.163 1.00 30.22 C ATOM 176 C LEU A 15 8.471 -1.705 -11.480 1.00 2.50 C ATOM 177 O LEU A 15 8.349 -1.191 -10.376 1.00 44.23 O ATOM 178 CB LEU A 15 7.298 -3.896 -11.960 1.00 33.10 C ATOM 179 CG LEU A 15 7.111 -4.410 -10.514 1.00 51.03 C ATOM 180 CD1 LEU A 15 8.412 -4.330 -9.713 1.00 21.22 C ATOM 181 CD2 LEU A 15 5.991 -3.644 -9.809 1.00 2.31 C ATOM 0 H LEU A 15 7.314 -2.871 -14.194 1.00 15.51 H new ATOM 0 HA LEU A 15 6.370 -1.970 -11.708 1.00 30.22 H new ATOM 0 HB2 LEU A 15 6.513 -4.330 -12.579 1.00 33.10 H new ATOM 0 HB3 LEU A 15 8.248 -4.277 -12.336 1.00 33.10 H new ATOM 0 HG LEU A 15 6.828 -5.461 -10.572 1.00 51.03 H new ATOM 0 HD11 LEU A 15 8.240 -4.700 -8.702 1.00 21.22 H new ATOM 0 HD12 LEU A 15 9.176 -4.939 -10.197 1.00 21.22 H new ATOM 0 HD13 LEU A 15 8.748 -3.294 -9.668 1.00 21.22 H new ATOM 0 HD21 LEU A 15 5.876 -4.021 -8.793 1.00 2.31 H new ATOM 0 HD22 LEU A 15 6.240 -2.583 -9.776 1.00 2.31 H new ATOM 0 HD23 LEU A 15 5.057 -3.781 -10.355 1.00 2.31 H new ATOM 193 N LEU A 16 9.619 -1.714 -12.150 1.00 42.40 N ATOM 194 CA LEU A 16 10.831 -1.104 -11.606 1.00 31.14 C ATOM 195 C LEU A 16 10.572 0.353 -11.227 1.00 73.25 C ATOM 196 O LEU A 16 10.819 0.766 -10.090 1.00 12.02 O ATOM 197 CB LEU A 16 11.981 -1.184 -12.623 1.00 3.33 C ATOM 198 CG LEU A 16 13.320 -0.577 -12.162 1.00 72.33 C ATOM 199 CD1 LEU A 16 13.848 -1.300 -10.924 1.00 54.33 C ATOM 200 CD2 LEU A 16 14.347 -0.627 -13.291 1.00 12.31 C ATOM 0 H LEU A 16 9.737 -2.137 -13.071 1.00 42.40 H new ATOM 0 HA LEU A 16 11.117 -1.656 -10.711 1.00 31.14 H new ATOM 0 HB2 LEU A 16 12.145 -2.231 -12.877 1.00 3.33 H new ATOM 0 HB3 LEU A 16 11.669 -0.679 -13.537 1.00 3.33 H new ATOM 0 HG LEU A 16 13.147 0.466 -11.897 1.00 72.33 H new ATOM 0 HD11 LEU A 16 14.794 -0.854 -10.618 1.00 54.33 H new ATOM 0 HD12 LEU A 16 13.125 -1.209 -10.114 1.00 54.33 H new ATOM 0 HD13 LEU A 16 14.002 -2.354 -11.156 1.00 54.33 H new ATOM 0 HD21 LEU A 16 15.287 -0.194 -12.948 1.00 12.31 H new ATOM 0 HD22 LEU A 16 14.512 -1.663 -13.587 1.00 12.31 H new ATOM 0 HD23 LEU A 16 13.977 -0.060 -14.145 1.00 12.31 H new ATOM 212 N ALA A 17 10.051 1.116 -12.184 1.00 61.13 N ATOM 213 CA ALA A 17 9.780 2.534 -11.976 1.00 43.14 C ATOM 214 C ALA A 17 8.758 2.738 -10.858 1.00 0.43 C ATOM 215 O ALA A 17 9.011 3.480 -9.889 1.00 25.24 O ATOM 216 CB ALA A 17 9.283 3.166 -13.276 1.00 3.21 C ATOM 0 H ALA A 17 9.808 0.774 -13.114 1.00 61.13 H new ATOM 0 HA ALA A 17 10.707 3.022 -11.676 1.00 43.14 H new ATOM 0 HB1 ALA A 17 9.083 4.225 -13.112 1.00 3.21 H new ATOM 0 HB2 ALA A 17 10.044 3.056 -14.048 1.00 3.21 H new ATOM 0 HB3 ALA A 17 8.367 2.669 -13.595 1.00 3.21 H new ATOM 222 N ASP A 18 7.622 2.040 -10.970 1.00 51.33 N ATOM 223 CA ASP A 18 6.526 2.210 -10.014 1.00 54.05 C ATOM 224 C ASP A 18 6.961 1.817 -8.609 1.00 41.40 C ATOM 225 O ASP A 18 6.761 2.573 -7.660 1.00 5.44 O ATOM 226 CB ASP A 18 5.299 1.384 -10.419 1.00 22.54 C ATOM 227 CG ASP A 18 4.153 1.540 -9.421 1.00 33.31 C ATOM 228 OD1 ASP A 18 4.017 0.687 -8.523 1.00 2.23 O ATOM 229 OD2 ASP A 18 3.395 2.527 -9.536 1.00 44.30 O ATOM 0 H ASP A 18 7.440 1.358 -11.707 1.00 51.33 H new ATOM 0 HA ASP A 18 6.255 3.266 -10.021 1.00 54.05 H new ATOM 0 HB2 ASP A 18 4.963 1.694 -11.409 1.00 22.54 H new ATOM 0 HB3 ASP A 18 5.577 0.333 -10.491 1.00 22.54 H new ATOM 234 N VAL A 19 7.589 0.648 -8.484 1.00 33.12 N ATOM 235 CA VAL A 19 8.009 0.149 -7.179 1.00 44.33 C ATOM 236 C VAL A 19 9.090 1.052 -6.601 1.00 53.32 C ATOM 237 O VAL A 19 9.147 1.255 -5.396 1.00 63.31 O ATOM 238 CB VAL A 19 8.529 -1.319 -7.225 1.00 33.10 C ATOM 239 CG1 VAL A 19 9.933 -1.406 -7.822 1.00 31.50 C ATOM 240 CG2 VAL A 19 8.499 -1.945 -5.831 1.00 53.35 C ATOM 0 H VAL A 19 7.816 0.034 -9.266 1.00 33.12 H new ATOM 0 HA VAL A 19 7.125 0.157 -6.542 1.00 44.33 H new ATOM 0 HB VAL A 19 7.860 -1.882 -7.877 1.00 33.10 H new ATOM 0 HG11 VAL A 19 10.259 -2.446 -7.836 1.00 31.50 H new ATOM 0 HG12 VAL A 19 9.920 -1.016 -8.840 1.00 31.50 H new ATOM 0 HG13 VAL A 19 10.623 -0.818 -7.217 1.00 31.50 H new ATOM 0 HG21 VAL A 19 8.866 -2.970 -5.884 1.00 53.35 H new ATOM 0 HG22 VAL A 19 9.133 -1.367 -5.159 1.00 53.35 H new ATOM 0 HG23 VAL A 19 7.476 -1.945 -5.454 1.00 53.35 H new ATOM 250 N GLU A 20 9.944 1.601 -7.467 1.00 54.52 N ATOM 251 CA GLU A 20 10.979 2.524 -7.021 1.00 71.21 C ATOM 252 C GLU A 20 10.334 3.745 -6.371 1.00 34.54 C ATOM 253 O GLU A 20 10.741 4.174 -5.287 1.00 32.45 O ATOM 254 CB GLU A 20 11.870 2.953 -8.194 1.00 12.24 C ATOM 255 CG GLU A 20 13.094 3.762 -7.777 1.00 1.23 C ATOM 256 CD GLU A 20 14.089 2.942 -6.970 1.00 44.45 C ATOM 257 OE1 GLU A 20 14.026 2.968 -5.723 1.00 32.12 O ATOM 258 OE2 GLU A 20 14.943 2.266 -7.583 1.00 12.51 O ATOM 0 H GLU A 20 9.937 1.422 -8.471 1.00 54.52 H new ATOM 0 HA GLU A 20 11.607 2.017 -6.288 1.00 71.21 H new ATOM 0 HB2 GLU A 20 12.200 2.064 -8.731 1.00 12.24 H new ATOM 0 HB3 GLU A 20 11.276 3.544 -8.891 1.00 12.24 H new ATOM 0 HG2 GLU A 20 13.588 4.152 -8.667 1.00 1.23 H new ATOM 0 HG3 GLU A 20 12.774 4.621 -7.187 1.00 1.23 H new ATOM 265 N GLU A 21 9.314 4.293 -7.033 1.00 31.21 N ATOM 266 CA GLU A 21 8.581 5.432 -6.484 1.00 33.53 C ATOM 267 C GLU A 21 7.827 5.027 -5.211 1.00 63.43 C ATOM 268 O GLU A 21 7.895 5.715 -4.197 1.00 12.13 O ATOM 269 CB GLU A 21 7.612 6.012 -7.524 1.00 24.25 C ATOM 270 CG GLU A 21 8.297 6.530 -8.788 1.00 41.14 C ATOM 271 CD GLU A 21 9.399 7.543 -8.498 1.00 62.22 C ATOM 272 OE1 GLU A 21 9.082 8.714 -8.206 1.00 40.51 O ATOM 273 OE2 GLU A 21 10.589 7.174 -8.584 1.00 45.44 O ATOM 0 H GLU A 21 8.980 3.970 -7.941 1.00 31.21 H new ATOM 0 HA GLU A 21 9.303 6.206 -6.224 1.00 33.53 H new ATOM 0 HB2 GLU A 21 6.891 5.244 -7.802 1.00 24.25 H new ATOM 0 HB3 GLU A 21 7.050 6.827 -7.068 1.00 24.25 H new ATOM 0 HG2 GLU A 21 8.720 5.688 -9.336 1.00 41.14 H new ATOM 0 HG3 GLU A 21 7.551 6.989 -9.436 1.00 41.14 H new ATOM 280 N ALA A 22 7.135 3.892 -5.262 1.00 13.42 N ATOM 281 CA ALA A 22 6.372 3.400 -4.114 1.00 4.24 C ATOM 282 C ALA A 22 7.279 3.216 -2.897 1.00 1.14 C ATOM 283 O ALA A 22 6.953 3.637 -1.792 1.00 40.44 O ATOM 284 CB ALA A 22 5.668 2.092 -4.463 1.00 35.44 C ATOM 0 H ALA A 22 7.086 3.293 -6.086 1.00 13.42 H new ATOM 0 HA ALA A 22 5.615 4.143 -3.862 1.00 4.24 H new ATOM 0 HB1 ALA A 22 5.105 1.740 -3.599 1.00 35.44 H new ATOM 0 HB2 ALA A 22 4.986 2.257 -5.297 1.00 35.44 H new ATOM 0 HB3 ALA A 22 6.409 1.343 -4.743 1.00 35.44 H new ATOM 290 N MET A 23 8.442 2.615 -3.122 1.00 0.50 N ATOM 291 CA MET A 23 9.426 2.367 -2.064 1.00 25.32 C ATOM 292 C MET A 23 9.916 3.672 -1.435 1.00 60.44 C ATOM 293 O MET A 23 10.600 3.649 -0.425 1.00 54.12 O ATOM 294 CB MET A 23 10.620 1.560 -2.598 1.00 31.11 C ATOM 295 CG MET A 23 10.283 0.113 -2.941 1.00 71.22 C ATOM 296 SD MET A 23 9.758 -0.844 -1.506 1.00 54.11 S ATOM 297 CE MET A 23 9.423 -2.438 -2.260 1.00 14.44 C ATOM 0 H MET A 23 8.733 2.284 -4.042 1.00 0.50 H new ATOM 0 HA MET A 23 8.926 1.783 -1.292 1.00 25.32 H new ATOM 0 HB2 MET A 23 11.010 2.053 -3.488 1.00 31.11 H new ATOM 0 HB3 MET A 23 11.416 1.571 -1.853 1.00 31.11 H new ATOM 0 HG2 MET A 23 9.492 0.097 -3.691 1.00 71.22 H new ATOM 0 HG3 MET A 23 11.156 -0.362 -3.389 1.00 71.22 H new ATOM 0 HE1 MET A 23 9.541 -3.225 -1.515 1.00 14.44 H new ATOM 0 HE2 MET A 23 8.403 -2.452 -2.644 1.00 14.44 H new ATOM 0 HE3 MET A 23 10.121 -2.607 -3.080 1.00 14.44 H new ATOM 307 N ARG A 24 9.607 4.792 -2.078 1.00 1.15 N ATOM 308 CA ARG A 24 10.031 6.119 -1.625 1.00 44.24 C ATOM 309 C ARG A 24 9.031 6.717 -0.622 1.00 41.10 C ATOM 310 O ARG A 24 9.384 7.607 0.158 1.00 43.24 O ATOM 311 CB ARG A 24 10.166 7.010 -2.870 1.00 44.13 C ATOM 312 CG ARG A 24 10.515 8.473 -2.627 1.00 72.23 C ATOM 313 CD ARG A 24 10.533 9.230 -3.953 1.00 40.44 C ATOM 314 NE ARG A 24 10.850 10.649 -3.810 1.00 53.12 N ATOM 315 CZ ARG A 24 10.771 11.523 -4.816 1.00 2.15 C ATOM 316 NH1 ARG A 24 10.322 11.132 -6.007 1.00 3.15 N ATOM 317 NH2 ARG A 24 11.119 12.786 -4.629 1.00 35.14 N ATOM 0 H ARG A 24 9.052 4.809 -2.934 1.00 1.15 H new ATOM 0 HA ARG A 24 10.985 6.049 -1.102 1.00 44.24 H new ATOM 0 HB2 ARG A 24 10.932 6.580 -3.515 1.00 44.13 H new ATOM 0 HB3 ARG A 24 9.226 6.971 -3.421 1.00 44.13 H new ATOM 0 HG2 ARG A 24 9.787 8.922 -1.952 1.00 72.23 H new ATOM 0 HG3 ARG A 24 11.488 8.548 -2.142 1.00 72.23 H new ATOM 0 HD2 ARG A 24 11.264 8.768 -4.616 1.00 40.44 H new ATOM 0 HD3 ARG A 24 9.559 9.130 -4.433 1.00 40.44 H new ATOM 0 HE ARG A 24 11.147 10.989 -2.895 1.00 53.12 H new ATOM 0 HH11 ARG A 24 10.038 10.163 -6.152 1.00 3.15 H new ATOM 0 HH12 ARG A 24 10.262 11.801 -6.774 1.00 3.15 H new ATOM 0 HH21 ARG A 24 11.449 13.094 -3.714 1.00 35.14 H new ATOM 0 HH22 ARG A 24 11.058 13.451 -5.400 1.00 35.14 H new ATOM 331 N ASP A 25 7.789 6.222 -0.625 1.00 52.33 N ATOM 332 CA ASP A 25 6.743 6.776 0.251 1.00 54.52 C ATOM 333 C ASP A 25 6.204 5.709 1.192 1.00 74.04 C ATOM 334 O ASP A 25 5.737 6.005 2.294 1.00 34.42 O ATOM 335 CB ASP A 25 5.599 7.383 -0.578 1.00 40.31 C ATOM 336 CG ASP A 25 4.979 6.401 -1.562 1.00 74.21 C ATOM 337 OD1 ASP A 25 4.136 5.582 -1.149 1.00 50.52 O ATOM 338 OD2 ASP A 25 5.316 6.471 -2.765 1.00 45.44 O ATOM 0 H ASP A 25 7.483 5.449 -1.215 1.00 52.33 H new ATOM 0 HA ASP A 25 7.193 7.568 0.849 1.00 54.52 H new ATOM 0 HB2 ASP A 25 4.825 7.747 0.097 1.00 40.31 H new ATOM 0 HB3 ASP A 25 5.976 8.246 -1.126 1.00 40.31 H new ATOM 343 N VAL A 26 6.289 4.469 0.744 1.00 54.54 N ATOM 344 CA VAL A 26 5.897 3.316 1.533 1.00 0.30 C ATOM 345 C VAL A 26 6.949 3.031 2.611 1.00 61.51 C ATOM 346 O VAL A 26 6.699 2.311 3.584 1.00 1.44 O ATOM 347 CB VAL A 26 5.718 2.087 0.603 1.00 4.34 C ATOM 348 CG1 VAL A 26 5.581 0.797 1.395 1.00 21.44 C ATOM 349 CG2 VAL A 26 4.510 2.284 -0.315 1.00 20.32 C ATOM 0 H VAL A 26 6.635 4.233 -0.186 1.00 54.54 H new ATOM 0 HA VAL A 26 4.949 3.523 2.029 1.00 0.30 H new ATOM 0 HB VAL A 26 6.616 2.002 -0.009 1.00 4.34 H new ATOM 0 HG11 VAL A 26 5.457 -0.040 0.708 1.00 21.44 H new ATOM 0 HG12 VAL A 26 6.476 0.643 1.997 1.00 21.44 H new ATOM 0 HG13 VAL A 26 4.711 0.862 2.048 1.00 21.44 H new ATOM 0 HG21 VAL A 26 4.398 1.413 -0.961 1.00 20.32 H new ATOM 0 HG22 VAL A 26 3.611 2.406 0.288 1.00 20.32 H new ATOM 0 HG23 VAL A 26 4.660 3.173 -0.927 1.00 20.32 H new ATOM 359 N VAL A 27 8.128 3.610 2.428 1.00 3.13 N ATOM 360 CA VAL A 27 9.214 3.466 3.385 1.00 72.41 C ATOM 361 C VAL A 27 9.213 4.626 4.368 1.00 62.45 C ATOM 362 O VAL A 27 8.700 5.707 4.073 1.00 72.43 O ATOM 363 CB VAL A 27 10.595 3.434 2.675 1.00 35.12 C ATOM 364 CG1 VAL A 27 10.924 4.797 2.071 1.00 74.12 C ATOM 365 CG2 VAL A 27 11.707 2.994 3.629 1.00 31.13 C ATOM 0 H VAL A 27 8.356 4.188 1.619 1.00 3.13 H new ATOM 0 HA VAL A 27 9.055 2.524 3.910 1.00 72.41 H new ATOM 0 HB VAL A 27 10.533 2.700 1.871 1.00 35.12 H new ATOM 0 HG11 VAL A 27 11.895 4.752 1.579 1.00 74.12 H new ATOM 0 HG12 VAL A 27 10.160 5.066 1.342 1.00 74.12 H new ATOM 0 HG13 VAL A 27 10.952 5.548 2.861 1.00 74.12 H new ATOM 0 HG21 VAL A 27 12.659 2.983 3.098 1.00 31.13 H new ATOM 0 HG22 VAL A 27 11.766 3.691 4.465 1.00 31.13 H new ATOM 0 HG23 VAL A 27 11.490 1.994 4.005 1.00 31.13 H new ATOM 375 N ASP A 28 9.773 4.388 5.537 1.00 4.11 N ATOM 376 CA ASP A 28 10.175 5.457 6.430 1.00 62.51 C ATOM 377 C ASP A 28 11.661 5.709 6.187 1.00 5.11 C ATOM 378 O ASP A 28 12.506 5.058 6.801 1.00 71.05 O ATOM 379 CB ASP A 28 9.929 5.064 7.896 1.00 51.12 C ATOM 380 CG ASP A 28 10.210 6.201 8.874 1.00 32.12 C ATOM 381 OD1 ASP A 28 9.258 6.683 9.524 1.00 33.32 O ATOM 382 OD2 ASP A 28 11.381 6.618 8.998 1.00 23.32 O ATOM 0 H ASP A 28 9.962 3.451 5.894 1.00 4.11 H new ATOM 0 HA ASP A 28 9.592 6.357 6.236 1.00 62.51 H new ATOM 0 HB2 ASP A 28 8.894 4.741 8.011 1.00 51.12 H new ATOM 0 HB3 ASP A 28 10.559 4.211 8.148 1.00 51.12 H new ATOM 387 N PRO A 29 12.013 6.610 5.247 1.00 55.42 N ATOM 388 CA PRO A 29 13.402 6.803 4.839 1.00 63.12 C ATOM 389 C PRO A 29 14.157 7.701 5.814 1.00 14.10 C ATOM 390 O PRO A 29 15.373 7.873 5.707 1.00 53.20 O ATOM 391 CB PRO A 29 13.276 7.436 3.443 1.00 54.33 C ATOM 392 CG PRO A 29 11.944 8.123 3.423 1.00 63.13 C ATOM 393 CD PRO A 29 11.101 7.528 4.535 1.00 45.13 C ATOM 0 HA PRO A 29 13.976 5.877 4.827 1.00 63.12 H new ATOM 0 HB2 PRO A 29 14.084 8.145 3.261 1.00 54.33 H new ATOM 0 HB3 PRO A 29 13.336 6.677 2.663 1.00 54.33 H new ATOM 0 HG2 PRO A 29 12.065 9.197 3.568 1.00 63.13 H new ATOM 0 HG3 PRO A 29 11.457 7.984 2.458 1.00 63.13 H new ATOM 0 HD2 PRO A 29 10.720 8.302 5.201 1.00 45.13 H new ATOM 0 HD3 PRO A 29 10.237 6.997 4.136 1.00 45.13 H new ATOM 401 N GLU A 30 13.415 8.264 6.764 1.00 25.43 N ATOM 402 CA GLU A 30 13.987 9.091 7.816 1.00 13.11 C ATOM 403 C GLU A 30 14.826 8.225 8.762 1.00 72.44 C ATOM 404 O GLU A 30 16.025 8.456 8.935 1.00 74.44 O ATOM 405 CB GLU A 30 12.860 9.807 8.576 1.00 23.45 C ATOM 406 CG GLU A 30 11.952 10.634 7.667 1.00 41.42 C ATOM 407 CD GLU A 30 10.780 11.261 8.404 1.00 11.34 C ATOM 408 OE1 GLU A 30 10.953 12.351 8.992 1.00 0.33 O ATOM 409 OE2 GLU A 30 9.675 10.675 8.394 1.00 51.51 O ATOM 0 H GLU A 30 12.402 8.158 6.824 1.00 25.43 H new ATOM 0 HA GLU A 30 14.641 9.844 7.377 1.00 13.11 H new ATOM 0 HB2 GLU A 30 12.258 9.066 9.103 1.00 23.45 H new ATOM 0 HB3 GLU A 30 13.297 10.459 9.332 1.00 23.45 H new ATOM 0 HG2 GLU A 30 12.540 11.422 7.196 1.00 41.42 H new ATOM 0 HG3 GLU A 30 11.572 9.998 6.867 1.00 41.42 H new ATOM 416 N LEU A 31 14.191 7.210 9.347 1.00 33.21 N ATOM 417 CA LEU A 31 14.885 6.255 10.213 1.00 42.13 C ATOM 418 C LEU A 31 15.364 5.053 9.396 1.00 2.54 C ATOM 419 O LEU A 31 16.241 4.299 9.826 1.00 34.10 O ATOM 420 CB LEU A 31 13.975 5.793 11.365 1.00 62.43 C ATOM 421 CG LEU A 31 13.672 6.847 12.453 1.00 50.21 C ATOM 422 CD1 LEU A 31 12.863 8.018 11.895 1.00 53.14 C ATOM 423 CD2 LEU A 31 12.938 6.206 13.626 1.00 12.34 C ATOM 0 H LEU A 31 13.194 7.027 9.237 1.00 33.21 H new ATOM 0 HA LEU A 31 15.751 6.754 10.647 1.00 42.13 H new ATOM 0 HB2 LEU A 31 13.029 5.455 10.941 1.00 62.43 H new ATOM 0 HB3 LEU A 31 14.437 4.929 11.843 1.00 62.43 H new ATOM 0 HG LEU A 31 14.626 7.241 12.804 1.00 50.21 H new ATOM 0 HD11 LEU A 31 12.670 8.738 12.690 1.00 53.14 H new ATOM 0 HD12 LEU A 31 13.426 8.501 11.096 1.00 53.14 H new ATOM 0 HD13 LEU A 31 11.916 7.650 11.500 1.00 53.14 H new ATOM 0 HD21 LEU A 31 12.732 6.962 14.384 1.00 12.34 H new ATOM 0 HD22 LEU A 31 11.999 5.777 13.277 1.00 12.34 H new ATOM 0 HD23 LEU A 31 13.558 5.420 14.057 1.00 12.34 H new ATOM 435 N GLY A 32 14.768 4.879 8.217 1.00 60.41 N ATOM 436 CA GLY A 32 15.247 3.891 7.263 1.00 22.10 C ATOM 437 C GLY A 32 14.667 2.503 7.473 1.00 41.34 C ATOM 438 O GLY A 32 15.418 1.529 7.581 1.00 23.32 O ATOM 0 H GLY A 32 13.955 5.410 7.904 1.00 60.41 H new ATOM 0 HA2 GLY A 32 15.005 4.227 6.255 1.00 22.10 H new ATOM 0 HA3 GLY A 32 16.334 3.834 7.328 1.00 22.10 H new ATOM 442 N ILE A 33 13.336 2.399 7.538 1.00 32.31 N ATOM 443 CA ILE A 33 12.663 1.094 7.618 1.00 4.13 C ATOM 444 C ILE A 33 11.548 1.017 6.573 1.00 64.22 C ATOM 445 O ILE A 33 10.822 1.986 6.366 1.00 63.32 O ATOM 446 CB ILE A 33 12.034 0.815 9.017 1.00 13.20 C ATOM 447 CG1 ILE A 33 13.060 0.981 10.155 1.00 22.02 C ATOM 448 CG2 ILE A 33 11.425 -0.589 9.060 1.00 54.45 C ATOM 449 CD1 ILE A 33 13.265 2.414 10.598 1.00 74.23 C ATOM 0 H ILE A 33 12.703 3.199 7.537 1.00 32.31 H new ATOM 0 HA ILE A 33 13.432 0.343 7.436 1.00 4.13 H new ATOM 0 HB ILE A 33 11.247 1.554 9.170 1.00 13.20 H new ATOM 0 HG12 ILE A 33 12.735 0.390 11.011 1.00 22.02 H new ATOM 0 HG13 ILE A 33 14.017 0.572 9.830 1.00 22.02 H new ATOM 0 HG21 ILE A 33 10.990 -0.767 10.044 1.00 54.45 H new ATOM 0 HG22 ILE A 33 10.648 -0.672 8.300 1.00 54.45 H new ATOM 0 HG23 ILE A 33 12.202 -1.329 8.867 1.00 54.45 H new ATOM 0 HD11 ILE A 33 14.001 2.445 11.401 1.00 74.23 H new ATOM 0 HD12 ILE A 33 13.621 3.008 9.756 1.00 74.23 H new ATOM 0 HD13 ILE A 33 12.320 2.823 10.956 1.00 74.23 H new ATOM 461 N ASN A 34 11.403 -0.145 5.936 1.00 64.12 N ATOM 462 CA ASN A 34 10.360 -0.366 4.929 1.00 11.25 C ATOM 463 C ASN A 34 9.227 -1.187 5.531 1.00 4.53 C ATOM 464 O ASN A 34 9.470 -2.231 6.139 1.00 73.21 O ATOM 465 CB ASN A 34 10.913 -1.122 3.707 1.00 22.44 C ATOM 466 CG ASN A 34 12.064 -0.417 3.018 1.00 52.45 C ATOM 467 OD1 ASN A 34 11.870 0.344 2.071 1.00 40.00 O ATOM 468 ND2 ASN A 34 13.276 -0.674 3.479 1.00 1.51 N ATOM 0 H ASN A 34 12.000 -0.956 6.100 1.00 64.12 H new ATOM 0 HA ASN A 34 9.997 0.611 4.609 1.00 11.25 H new ATOM 0 HB2 ASN A 34 11.243 -2.112 4.023 1.00 22.44 H new ATOM 0 HB3 ASN A 34 10.107 -1.269 2.988 1.00 22.44 H new ATOM 0 HD21 ASN A 34 14.089 -0.235 3.047 1.00 1.51 H new ATOM 0 HD22 ASN A 34 13.398 -1.311 4.266 1.00 1.51 H new ATOM 475 N VAL A 35 7.993 -0.727 5.355 1.00 53.54 N ATOM 476 CA VAL A 35 6.823 -1.484 5.799 1.00 62.53 C ATOM 477 C VAL A 35 6.828 -2.875 5.156 1.00 54.41 C ATOM 478 O VAL A 35 6.409 -3.869 5.761 1.00 25.21 O ATOM 479 CB VAL A 35 5.505 -0.747 5.450 1.00 11.44 C ATOM 480 CG1 VAL A 35 4.288 -1.550 5.910 1.00 14.44 C ATOM 481 CG2 VAL A 35 5.492 0.652 6.068 1.00 41.44 C ATOM 0 H VAL A 35 7.775 0.164 4.909 1.00 53.54 H new ATOM 0 HA VAL A 35 6.877 -1.582 6.883 1.00 62.53 H new ATOM 0 HB VAL A 35 5.452 -0.647 4.366 1.00 11.44 H new ATOM 0 HG11 VAL A 35 3.377 -1.010 5.652 1.00 14.44 H new ATOM 0 HG12 VAL A 35 4.285 -2.522 5.416 1.00 14.44 H new ATOM 0 HG13 VAL A 35 4.333 -1.692 6.990 1.00 14.44 H new ATOM 0 HG21 VAL A 35 4.559 1.154 5.812 1.00 41.44 H new ATOM 0 HG22 VAL A 35 5.576 0.572 7.152 1.00 41.44 H new ATOM 0 HG23 VAL A 35 6.332 1.229 5.681 1.00 41.44 H new ATOM 491 N VAL A 36 7.344 -2.932 3.931 1.00 44.32 N ATOM 492 CA VAL A 36 7.459 -4.178 3.180 1.00 43.04 C ATOM 493 C VAL A 36 8.250 -5.225 3.971 1.00 13.10 C ATOM 494 O VAL A 36 7.985 -6.423 3.862 1.00 60.43 O ATOM 495 CB VAL A 36 8.143 -3.934 1.808 1.00 44.31 C ATOM 496 CG1 VAL A 36 8.229 -5.224 0.990 1.00 70.14 C ATOM 497 CG2 VAL A 36 7.407 -2.845 1.025 1.00 53.31 C ATOM 0 H VAL A 36 7.694 -2.115 3.431 1.00 44.32 H new ATOM 0 HA VAL A 36 6.450 -4.554 3.011 1.00 43.04 H new ATOM 0 HB VAL A 36 9.161 -3.595 1.999 1.00 44.31 H new ATOM 0 HG11 VAL A 36 8.713 -5.018 0.035 1.00 70.14 H new ATOM 0 HG12 VAL A 36 8.810 -5.965 1.539 1.00 70.14 H new ATOM 0 HG13 VAL A 36 7.225 -5.610 0.812 1.00 70.14 H new ATOM 0 HG21 VAL A 36 7.902 -2.689 0.066 1.00 53.31 H new ATOM 0 HG22 VAL A 36 6.375 -3.153 0.855 1.00 53.31 H new ATOM 0 HG23 VAL A 36 7.419 -1.916 1.595 1.00 53.31 H new ATOM 507 N ASP A 37 9.192 -4.763 4.798 1.00 51.02 N ATOM 508 CA ASP A 37 10.043 -5.660 5.587 1.00 61.43 C ATOM 509 C ASP A 37 9.225 -6.481 6.579 1.00 11.43 C ATOM 510 O ASP A 37 9.651 -7.558 6.999 1.00 60.13 O ATOM 511 CB ASP A 37 11.137 -4.873 6.330 1.00 34.35 C ATOM 512 CG ASP A 37 12.392 -4.684 5.495 1.00 0.33 C ATOM 513 OD1 ASP A 37 12.584 -3.590 4.927 1.00 25.23 O ATOM 514 OD2 ASP A 37 13.200 -5.634 5.415 1.00 73.34 O ATOM 0 H ASP A 37 9.385 -3.771 4.939 1.00 51.02 H new ATOM 0 HA ASP A 37 10.519 -6.347 4.888 1.00 61.43 H new ATOM 0 HB2 ASP A 37 10.746 -3.897 6.617 1.00 34.35 H new ATOM 0 HB3 ASP A 37 11.394 -5.396 7.251 1.00 34.35 H new ATOM 519 N LEU A 38 8.048 -5.980 6.947 1.00 14.40 N ATOM 520 CA LEU A 38 7.172 -6.699 7.875 1.00 4.12 C ATOM 521 C LEU A 38 6.592 -7.944 7.200 1.00 35.24 C ATOM 522 O LEU A 38 6.079 -8.848 7.864 1.00 50.52 O ATOM 523 CB LEU A 38 6.042 -5.783 8.383 1.00 23.43 C ATOM 524 CG LEU A 38 6.450 -4.694 9.399 1.00 74.13 C ATOM 525 CD1 LEU A 38 7.036 -5.322 10.661 1.00 33.31 C ATOM 526 CD2 LEU A 38 7.427 -3.691 8.787 1.00 2.25 C ATOM 0 H LEU A 38 7.679 -5.087 6.621 1.00 14.40 H new ATOM 0 HA LEU A 38 7.765 -7.012 8.734 1.00 4.12 H new ATOM 0 HB2 LEU A 38 5.585 -5.294 7.523 1.00 23.43 H new ATOM 0 HB3 LEU A 38 5.275 -6.408 8.840 1.00 23.43 H new ATOM 0 HG LEU A 38 5.548 -4.147 9.674 1.00 74.13 H new ATOM 0 HD11 LEU A 38 7.316 -4.536 11.362 1.00 33.31 H new ATOM 0 HD12 LEU A 38 6.293 -5.972 11.123 1.00 33.31 H new ATOM 0 HD13 LEU A 38 7.918 -5.907 10.400 1.00 33.31 H new ATOM 0 HD21 LEU A 38 7.691 -2.940 9.531 1.00 2.25 H new ATOM 0 HD22 LEU A 38 8.327 -4.212 8.462 1.00 2.25 H new ATOM 0 HD23 LEU A 38 6.960 -3.204 7.931 1.00 2.25 H new ATOM 538 N GLY A 39 6.683 -7.974 5.870 1.00 3.20 N ATOM 539 CA GLY A 39 6.177 -9.090 5.087 1.00 71.20 C ATOM 540 C GLY A 39 4.683 -9.290 5.256 1.00 21.33 C ATOM 541 O GLY A 39 4.161 -10.376 5.003 1.00 53.32 O ATOM 0 H GLY A 39 7.106 -7.231 5.314 1.00 3.20 H new ATOM 0 HA2 GLY A 39 6.401 -8.921 4.034 1.00 71.20 H new ATOM 0 HA3 GLY A 39 6.698 -10.001 5.381 1.00 71.20 H new ATOM 545 N LEU A 40 3.992 -8.227 5.658 1.00 74.45 N ATOM 546 CA LEU A 40 2.544 -8.266 5.826 1.00 22.10 C ATOM 547 C LEU A 40 1.870 -7.860 4.521 1.00 4.24 C ATOM 548 O LEU A 40 0.745 -8.260 4.234 1.00 62.22 O ATOM 549 CB LEU A 40 2.116 -7.341 6.974 1.00 2.12 C ATOM 550 CG LEU A 40 0.618 -7.368 7.324 1.00 43.31 C ATOM 551 CD1 LEU A 40 0.163 -8.786 7.668 1.00 3.23 C ATOM 552 CD2 LEU A 40 0.323 -6.416 8.479 1.00 62.12 C ATOM 0 H LEU A 40 4.415 -7.324 5.874 1.00 74.45 H new ATOM 0 HA LEU A 40 2.236 -9.280 6.079 1.00 22.10 H new ATOM 0 HB2 LEU A 40 2.684 -7.610 7.865 1.00 2.12 H new ATOM 0 HB3 LEU A 40 2.392 -6.319 6.716 1.00 2.12 H new ATOM 0 HG LEU A 40 0.059 -7.036 6.449 1.00 43.31 H new ATOM 0 HD11 LEU A 40 -0.899 -8.778 7.912 1.00 3.23 H new ATOM 0 HD12 LEU A 40 0.334 -9.441 6.813 1.00 3.23 H new ATOM 0 HD13 LEU A 40 0.729 -9.152 8.525 1.00 3.23 H new ATOM 0 HD21 LEU A 40 -0.741 -6.447 8.714 1.00 62.12 H new ATOM 0 HD22 LEU A 40 0.897 -6.718 9.355 1.00 62.12 H new ATOM 0 HD23 LEU A 40 0.602 -5.401 8.195 1.00 62.12 H new ATOM 564 N VAL A 41 2.599 -7.092 3.713 1.00 5.25 N ATOM 565 CA VAL A 41 2.124 -6.661 2.400 1.00 23.12 C ATOM 566 C VAL A 41 1.945 -7.872 1.474 1.00 14.43 C ATOM 567 O VAL A 41 1.391 -7.761 0.380 1.00 72.31 O ATOM 568 CB VAL A 41 3.110 -5.642 1.765 1.00 2.25 C ATOM 569 CG1 VAL A 41 4.467 -6.290 1.493 1.00 41.31 C ATOM 570 CG2 VAL A 41 2.529 -5.027 0.490 1.00 53.42 C ATOM 0 H VAL A 41 3.531 -6.752 3.949 1.00 5.25 H new ATOM 0 HA VAL A 41 1.159 -6.171 2.530 1.00 23.12 H new ATOM 0 HB VAL A 41 3.260 -4.835 2.482 1.00 2.25 H new ATOM 0 HG11 VAL A 41 5.138 -5.555 1.049 1.00 41.31 H new ATOM 0 HG12 VAL A 41 4.892 -6.651 2.430 1.00 41.31 H new ATOM 0 HG13 VAL A 41 4.339 -7.127 0.807 1.00 41.31 H new ATOM 0 HG21 VAL A 41 3.243 -4.318 0.070 1.00 53.42 H new ATOM 0 HG22 VAL A 41 2.330 -5.815 -0.236 1.00 53.42 H new ATOM 0 HG23 VAL A 41 1.600 -4.509 0.727 1.00 53.42 H new ATOM 580 N TYR A 42 2.407 -9.034 1.939 1.00 42.33 N ATOM 581 CA TYR A 42 2.281 -10.276 1.185 1.00 71.03 C ATOM 582 C TYR A 42 0.822 -10.724 1.172 1.00 1.25 C ATOM 583 O TYR A 42 0.418 -11.567 0.364 1.00 22.32 O ATOM 584 CB TYR A 42 3.185 -11.364 1.783 1.00 55.44 C ATOM 585 CG TYR A 42 3.309 -12.597 0.906 1.00 23.13 C ATOM 586 CD1 TYR A 42 2.591 -13.756 1.180 1.00 52.15 C ATOM 587 CD2 TYR A 42 4.141 -12.591 -0.211 1.00 51.31 C ATOM 588 CE1 TYR A 42 2.696 -14.870 0.369 1.00 74.23 C ATOM 589 CE2 TYR A 42 4.253 -13.701 -1.024 1.00 34.13 C ATOM 590 CZ TYR A 42 3.529 -14.837 -0.731 1.00 22.20 C ATOM 591 OH TYR A 42 3.632 -15.944 -1.546 1.00 72.51 O ATOM 0 H TYR A 42 2.874 -9.138 2.840 1.00 42.33 H new ATOM 0 HA TYR A 42 2.602 -10.104 0.158 1.00 71.03 H new ATOM 0 HB2 TYR A 42 4.178 -10.947 1.953 1.00 55.44 H new ATOM 0 HB3 TYR A 42 2.792 -11.658 2.756 1.00 55.44 H new ATOM 0 HD1 TYR A 42 1.940 -13.786 2.041 1.00 52.15 H new ATOM 0 HD2 TYR A 42 4.708 -11.702 -0.445 1.00 51.31 H new ATOM 0 HE1 TYR A 42 2.129 -15.761 0.595 1.00 74.23 H new ATOM 0 HE2 TYR A 42 4.904 -13.680 -1.885 1.00 34.13 H new ATOM 0 HH TYR A 42 4.259 -15.756 -2.276 1.00 72.51 H new ATOM 601 N GLY A 43 0.034 -10.146 2.076 1.00 12.24 N ATOM 602 CA GLY A 43 -1.401 -10.351 2.069 1.00 11.43 C ATOM 603 C GLY A 43 -2.059 -9.513 0.995 1.00 63.32 C ATOM 604 O GLY A 43 -2.990 -8.749 1.261 1.00 42.41 O ATOM 0 H GLY A 43 0.370 -9.534 2.819 1.00 12.24 H new ATOM 0 HA2 GLY A 43 -1.621 -11.405 1.900 1.00 11.43 H new ATOM 0 HA3 GLY A 43 -1.815 -10.091 3.043 1.00 11.43 H new ATOM 608 N LEU A 44 -1.551 -9.634 -0.225 1.00 73.42 N ATOM 609 CA LEU A 44 -2.063 -8.879 -1.352 1.00 12.34 C ATOM 610 C LEU A 44 -2.952 -9.766 -2.211 1.00 4.10 C ATOM 611 O LEU A 44 -2.514 -10.799 -2.724 1.00 52.34 O ATOM 612 CB LEU A 44 -0.896 -8.325 -2.187 1.00 64.44 C ATOM 613 CG LEU A 44 -1.291 -7.594 -3.486 1.00 10.52 C ATOM 614 CD1 LEU A 44 -2.154 -6.369 -3.186 1.00 43.32 C ATOM 615 CD2 LEU A 44 -0.048 -7.198 -4.280 1.00 71.30 C ATOM 0 H LEU A 44 -0.776 -10.256 -0.456 1.00 73.42 H new ATOM 0 HA LEU A 44 -2.656 -8.043 -0.981 1.00 12.34 H new ATOM 0 HB2 LEU A 44 -0.323 -7.638 -1.565 1.00 64.44 H new ATOM 0 HB3 LEU A 44 -0.233 -9.151 -2.444 1.00 64.44 H new ATOM 0 HG LEU A 44 -1.882 -8.280 -4.093 1.00 10.52 H new ATOM 0 HD11 LEU A 44 -2.418 -5.872 -4.120 1.00 43.32 H new ATOM 0 HD12 LEU A 44 -3.063 -6.681 -2.671 1.00 43.32 H new ATOM 0 HD13 LEU A 44 -1.598 -5.678 -2.553 1.00 43.32 H new ATOM 0 HD21 LEU A 44 -0.348 -6.684 -5.193 1.00 71.30 H new ATOM 0 HD22 LEU A 44 0.573 -6.535 -3.677 1.00 71.30 H new ATOM 0 HD23 LEU A 44 0.520 -8.092 -4.537 1.00 71.30 H new ATOM 627 N ASP A 45 -4.201 -9.353 -2.364 1.00 21.32 N ATOM 628 CA ASP A 45 -5.146 -10.027 -3.240 1.00 1.04 C ATOM 629 C ASP A 45 -5.742 -8.993 -4.177 1.00 11.32 C ATOM 630 O ASP A 45 -6.518 -8.147 -3.749 1.00 25.51 O ATOM 631 CB ASP A 45 -6.282 -10.689 -2.434 1.00 3.44 C ATOM 632 CG ASP A 45 -5.793 -11.680 -1.388 1.00 30.42 C ATOM 633 OD1 ASP A 45 -5.696 -12.889 -1.697 1.00 51.10 O ATOM 634 OD2 ASP A 45 -5.523 -11.256 -0.244 1.00 23.52 O ATOM 0 H ASP A 45 -4.588 -8.540 -1.884 1.00 21.32 H new ATOM 0 HA ASP A 45 -4.623 -10.807 -3.793 1.00 1.04 H new ATOM 0 HB2 ASP A 45 -6.866 -9.912 -1.941 1.00 3.44 H new ATOM 0 HB3 ASP A 45 -6.953 -11.203 -3.123 1.00 3.44 H new ATOM 639 N VAL A 46 -5.378 -9.031 -5.445 1.00 72.32 N ATOM 640 CA VAL A 46 -5.932 -8.088 -6.401 1.00 13.54 C ATOM 641 C VAL A 46 -7.055 -8.758 -7.183 1.00 75.33 C ATOM 642 O VAL A 46 -6.891 -9.862 -7.716 1.00 14.33 O ATOM 643 CB VAL A 46 -4.854 -7.514 -7.359 1.00 10.11 C ATOM 644 CG1 VAL A 46 -3.672 -6.955 -6.571 1.00 22.50 C ATOM 645 CG2 VAL A 46 -4.381 -8.554 -8.356 1.00 51.44 C ATOM 0 H VAL A 46 -4.709 -9.696 -5.835 1.00 72.32 H new ATOM 0 HA VAL A 46 -6.331 -7.240 -5.844 1.00 13.54 H new ATOM 0 HB VAL A 46 -5.316 -6.701 -7.920 1.00 10.11 H new ATOM 0 HG11 VAL A 46 -2.929 -6.558 -7.263 1.00 22.50 H new ATOM 0 HG12 VAL A 46 -4.018 -6.158 -5.913 1.00 22.50 H new ATOM 0 HG13 VAL A 46 -3.224 -7.750 -5.974 1.00 22.50 H new ATOM 0 HG21 VAL A 46 -3.627 -8.115 -9.009 1.00 51.44 H new ATOM 0 HG22 VAL A 46 -3.950 -9.401 -7.822 1.00 51.44 H new ATOM 0 HG23 VAL A 46 -5.226 -8.895 -8.955 1.00 51.44 H new ATOM 655 N GLN A 47 -8.208 -8.109 -7.218 1.00 23.35 N ATOM 656 CA GLN A 47 -9.384 -8.669 -7.868 1.00 74.10 C ATOM 657 C GLN A 47 -9.869 -7.760 -8.984 1.00 50.41 C ATOM 658 O GLN A 47 -9.763 -6.532 -8.899 1.00 2.13 O ATOM 659 CB GLN A 47 -10.503 -8.914 -6.841 1.00 23.33 C ATOM 660 CG GLN A 47 -10.894 -7.678 -6.035 1.00 55.02 C ATOM 661 CD GLN A 47 -12.030 -7.944 -5.060 1.00 44.34 C ATOM 662 OE1 GLN A 47 -12.200 -9.064 -4.577 1.00 24.55 O ATOM 663 NE2 GLN A 47 -12.804 -6.914 -4.753 1.00 72.14 N ATOM 0 H GLN A 47 -8.356 -7.189 -6.802 1.00 23.35 H new ATOM 0 HA GLN A 47 -9.106 -9.626 -8.309 1.00 74.10 H new ATOM 0 HB2 GLN A 47 -11.384 -9.288 -7.363 1.00 23.33 H new ATOM 0 HB3 GLN A 47 -10.184 -9.697 -6.153 1.00 23.33 H new ATOM 0 HG2 GLN A 47 -10.025 -7.320 -5.484 1.00 55.02 H new ATOM 0 HG3 GLN A 47 -11.188 -6.882 -6.719 1.00 55.02 H new ATOM 0 HE21 GLN A 47 -12.630 -6.002 -5.175 1.00 72.14 H new ATOM 0 HE22 GLN A 47 -13.574 -7.033 -4.095 1.00 72.14 H new ATOM 672 N ASP A 48 -10.385 -8.375 -10.036 1.00 23.13 N ATOM 673 CA ASP A 48 -10.896 -7.650 -11.187 1.00 73.30 C ATOM 674 C ASP A 48 -12.335 -7.218 -10.943 1.00 5.03 C ATOM 675 O ASP A 48 -13.007 -7.732 -10.043 1.00 22.33 O ATOM 676 CB ASP A 48 -10.832 -8.530 -12.444 1.00 51.22 C ATOM 677 CG ASP A 48 -11.854 -9.659 -12.417 1.00 41.14 C ATOM 678 OD1 ASP A 48 -12.944 -9.500 -13.008 1.00 31.24 O ATOM 679 OD2 ASP A 48 -11.574 -10.710 -11.800 1.00 1.44 O ATOM 0 H ASP A 48 -10.461 -9.389 -10.116 1.00 23.13 H new ATOM 0 HA ASP A 48 -10.277 -6.766 -11.337 1.00 73.30 H new ATOM 0 HB2 ASP A 48 -11.001 -7.912 -13.326 1.00 51.22 H new ATOM 0 HB3 ASP A 48 -9.831 -8.952 -12.538 1.00 51.22 H new ATOM 684 N GLY A 49 -12.793 -6.275 -11.748 1.00 62.12 N ATOM 685 CA GLY A 49 -14.169 -5.834 -11.697 1.00 63.20 C ATOM 686 C GLY A 49 -14.576 -5.189 -13.001 1.00 34.44 C ATOM 687 O GLY A 49 -13.722 -4.695 -13.740 1.00 51.22 O ATOM 0 H GLY A 49 -12.224 -5.799 -12.448 1.00 62.12 H new ATOM 0 HA2 GLY A 49 -14.820 -6.683 -11.488 1.00 63.20 H new ATOM 0 HA3 GLY A 49 -14.298 -5.124 -10.880 1.00 63.20 H new ATOM 691 N ASP A 50 -15.872 -5.189 -13.293 1.00 14.23 N ATOM 692 CA ASP A 50 -16.381 -4.599 -14.533 1.00 44.24 C ATOM 693 C ASP A 50 -16.131 -3.094 -14.550 1.00 60.14 C ATOM 694 O ASP A 50 -16.135 -2.460 -15.606 1.00 14.51 O ATOM 695 CB ASP A 50 -17.882 -4.886 -14.700 1.00 1.04 C ATOM 696 CG ASP A 50 -18.188 -6.372 -14.823 1.00 23.23 C ATOM 697 OD1 ASP A 50 -18.677 -6.971 -13.839 1.00 72.35 O ATOM 698 OD2 ASP A 50 -17.929 -6.952 -15.898 1.00 44.40 O ATOM 0 H ASP A 50 -16.591 -5.590 -12.691 1.00 14.23 H new ATOM 0 HA ASP A 50 -15.847 -5.054 -15.367 1.00 44.24 H new ATOM 0 HB2 ASP A 50 -18.423 -4.478 -13.846 1.00 1.04 H new ATOM 0 HB3 ASP A 50 -18.250 -4.369 -15.587 1.00 1.04 H new ATOM 703 N GLU A 51 -15.919 -2.531 -13.366 1.00 1.20 N ATOM 704 CA GLU A 51 -15.651 -1.105 -13.222 1.00 44.33 C ATOM 705 C GLU A 51 -14.148 -0.828 -13.314 1.00 53.51 C ATOM 706 O GLU A 51 -13.730 0.252 -13.730 1.00 1.44 O ATOM 707 CB GLU A 51 -16.200 -0.607 -11.879 1.00 13.01 C ATOM 708 CG GLU A 51 -17.671 -0.943 -11.649 1.00 64.11 C ATOM 709 CD GLU A 51 -18.577 -0.430 -12.759 1.00 31.13 C ATOM 710 OE1 GLU A 51 -18.982 -1.235 -13.628 1.00 44.20 O ATOM 711 OE2 GLU A 51 -18.884 0.780 -12.772 1.00 11.54 O ATOM 0 H GLU A 51 -15.928 -3.045 -12.485 1.00 1.20 H new ATOM 0 HA GLU A 51 -16.148 -0.571 -14.032 1.00 44.33 H new ATOM 0 HB2 GLU A 51 -15.608 -1.040 -11.073 1.00 13.01 H new ATOM 0 HB3 GLU A 51 -16.071 0.474 -11.823 1.00 13.01 H new ATOM 0 HG2 GLU A 51 -17.783 -2.024 -11.566 1.00 64.11 H new ATOM 0 HG3 GLU A 51 -17.992 -0.516 -10.699 1.00 64.11 H new ATOM 718 N GLY A 52 -13.350 -1.819 -12.930 1.00 14.40 N ATOM 719 CA GLY A 52 -11.904 -1.681 -12.934 1.00 50.11 C ATOM 720 C GLY A 52 -11.247 -2.719 -12.046 1.00 13.50 C ATOM 721 O GLY A 52 -11.938 -3.497 -11.384 1.00 54.03 O ATOM 0 H GLY A 52 -13.685 -2.728 -12.612 1.00 14.40 H new ATOM 0 HA2 GLY A 52 -11.530 -1.782 -13.953 1.00 50.11 H new ATOM 0 HA3 GLY A 52 -11.631 -0.683 -12.592 1.00 50.11 H new ATOM 725 N THR A 53 -9.919 -2.737 -12.028 1.00 31.02 N ATOM 726 CA THR A 53 -9.171 -3.687 -11.211 1.00 10.44 C ATOM 727 C THR A 53 -8.700 -3.024 -9.915 1.00 62.04 C ATOM 728 O THR A 53 -8.109 -1.939 -9.938 1.00 11.31 O ATOM 729 CB THR A 53 -7.961 -4.243 -11.992 1.00 2.22 C ATOM 730 OG1 THR A 53 -8.411 -4.794 -13.238 1.00 53.20 O ATOM 731 CG2 THR A 53 -7.229 -5.319 -11.196 1.00 4.43 C ATOM 0 H THR A 53 -9.336 -2.102 -12.572 1.00 31.02 H new ATOM 0 HA THR A 53 -9.834 -4.516 -10.961 1.00 10.44 H new ATOM 0 HB THR A 53 -7.266 -3.423 -12.171 1.00 2.22 H new ATOM 0 HG1 THR A 53 -7.644 -5.146 -13.736 1.00 53.20 H new ATOM 0 HG21 THR A 53 -6.383 -5.688 -11.776 1.00 4.43 H new ATOM 0 HG22 THR A 53 -6.869 -4.896 -10.258 1.00 4.43 H new ATOM 0 HG23 THR A 53 -7.911 -6.143 -10.985 1.00 4.43 H new ATOM 739 N VAL A 54 -8.965 -3.683 -8.789 1.00 14.21 N ATOM 740 CA VAL A 54 -8.637 -3.143 -7.471 1.00 13.22 C ATOM 741 C VAL A 54 -7.686 -4.079 -6.721 1.00 24.13 C ATOM 742 O VAL A 54 -7.849 -5.301 -6.746 1.00 21.11 O ATOM 743 CB VAL A 54 -9.924 -2.902 -6.629 1.00 31.24 C ATOM 744 CG1 VAL A 54 -10.760 -4.175 -6.524 1.00 74.24 C ATOM 745 CG2 VAL A 54 -9.584 -2.363 -5.237 1.00 51.32 C ATOM 0 H VAL A 54 -9.410 -4.600 -8.764 1.00 14.21 H new ATOM 0 HA VAL A 54 -8.139 -2.185 -7.621 1.00 13.22 H new ATOM 0 HB VAL A 54 -10.517 -2.148 -7.147 1.00 31.24 H new ATOM 0 HG11 VAL A 54 -11.652 -3.976 -5.930 1.00 74.24 H new ATOM 0 HG12 VAL A 54 -11.053 -4.501 -7.522 1.00 74.24 H new ATOM 0 HG13 VAL A 54 -10.172 -4.958 -6.045 1.00 74.24 H new ATOM 0 HG21 VAL A 54 -10.504 -2.205 -4.673 1.00 51.32 H new ATOM 0 HG22 VAL A 54 -8.956 -3.082 -4.712 1.00 51.32 H new ATOM 0 HG23 VAL A 54 -9.050 -1.417 -5.333 1.00 51.32 H new ATOM 755 N ALA A 55 -6.681 -3.495 -6.072 1.00 62.31 N ATOM 756 CA ALA A 55 -5.697 -4.259 -5.298 1.00 31.42 C ATOM 757 C ALA A 55 -6.055 -4.231 -3.809 1.00 33.21 C ATOM 758 O ALA A 55 -6.134 -3.160 -3.208 1.00 1.31 O ATOM 759 CB ALA A 55 -4.301 -3.674 -5.502 1.00 21.42 C ATOM 0 H ALA A 55 -6.524 -2.487 -6.065 1.00 62.31 H new ATOM 0 HA ALA A 55 -5.708 -5.292 -5.646 1.00 31.42 H new ATOM 0 HB1 ALA A 55 -3.578 -4.248 -4.923 1.00 21.42 H new ATOM 0 HB2 ALA A 55 -4.038 -3.720 -6.559 1.00 21.42 H new ATOM 0 HB3 ALA A 55 -4.289 -2.636 -5.170 1.00 21.42 H new ATOM 765 N LEU A 56 -6.276 -5.399 -3.217 1.00 64.12 N ATOM 766 CA LEU A 56 -6.605 -5.490 -1.793 1.00 32.41 C ATOM 767 C LEU A 56 -5.336 -5.792 -0.992 1.00 21.12 C ATOM 768 O LEU A 56 -4.749 -6.864 -1.140 1.00 1.15 O ATOM 769 CB LEU A 56 -7.655 -6.589 -1.557 1.00 50.22 C ATOM 770 CG LEU A 56 -8.836 -6.597 -2.545 1.00 34.22 C ATOM 771 CD1 LEU A 56 -9.786 -7.754 -2.246 1.00 20.30 C ATOM 772 CD2 LEU A 56 -9.571 -5.256 -2.527 1.00 50.50 C ATOM 0 H LEU A 56 -6.234 -6.298 -3.698 1.00 64.12 H new ATOM 0 HA LEU A 56 -7.021 -4.538 -1.462 1.00 32.41 H new ATOM 0 HB2 LEU A 56 -7.158 -7.558 -1.603 1.00 50.22 H new ATOM 0 HB3 LEU A 56 -8.049 -6.480 -0.547 1.00 50.22 H new ATOM 0 HG LEU A 56 -8.439 -6.744 -3.549 1.00 34.22 H new ATOM 0 HD11 LEU A 56 -10.612 -7.739 -2.957 1.00 20.30 H new ATOM 0 HD12 LEU A 56 -9.249 -8.698 -2.334 1.00 20.30 H new ATOM 0 HD13 LEU A 56 -10.176 -7.652 -1.233 1.00 20.30 H new ATOM 0 HD21 LEU A 56 -10.401 -5.286 -3.233 1.00 50.50 H new ATOM 0 HD22 LEU A 56 -9.954 -5.064 -1.525 1.00 50.50 H new ATOM 0 HD23 LEU A 56 -8.883 -4.460 -2.811 1.00 50.50 H new ATOM 784 N ILE A 57 -4.912 -4.845 -0.158 1.00 10.41 N ATOM 785 CA ILE A 57 -3.667 -4.977 0.602 1.00 75.31 C ATOM 786 C ILE A 57 -3.956 -5.135 2.096 1.00 4.35 C ATOM 787 O ILE A 57 -4.539 -4.248 2.717 1.00 22.25 O ATOM 788 CB ILE A 57 -2.753 -3.740 0.400 1.00 23.40 C ATOM 789 CG1 ILE A 57 -2.541 -3.459 -1.099 1.00 53.12 C ATOM 790 CG2 ILE A 57 -1.410 -3.942 1.107 1.00 72.03 C ATOM 791 CD1 ILE A 57 -1.709 -2.223 -1.380 1.00 11.15 C ATOM 0 H ILE A 57 -5.414 -3.973 0.010 1.00 10.41 H new ATOM 0 HA ILE A 57 -3.157 -5.866 0.231 1.00 75.31 H new ATOM 0 HB ILE A 57 -3.246 -2.874 0.842 1.00 23.40 H new ATOM 0 HG12 ILE A 57 -2.057 -4.322 -1.556 1.00 53.12 H new ATOM 0 HG13 ILE A 57 -3.513 -3.348 -1.579 1.00 53.12 H new ATOM 0 HG21 ILE A 57 -0.783 -3.064 0.954 1.00 72.03 H new ATOM 0 HG22 ILE A 57 -1.579 -4.086 2.174 1.00 72.03 H new ATOM 0 HG23 ILE A 57 -0.911 -4.820 0.697 1.00 72.03 H new ATOM 0 HD11 ILE A 57 -1.604 -2.092 -2.457 1.00 11.15 H new ATOM 0 HD12 ILE A 57 -2.201 -1.349 -0.954 1.00 11.15 H new ATOM 0 HD13 ILE A 57 -0.723 -2.339 -0.931 1.00 11.15 H new ATOM 803 N ASP A 58 -3.553 -6.260 2.668 1.00 33.14 N ATOM 804 CA ASP A 58 -3.739 -6.503 4.098 1.00 63.43 C ATOM 805 C ASP A 58 -2.615 -5.842 4.899 1.00 25.05 C ATOM 806 O ASP A 58 -1.437 -6.139 4.689 1.00 60.21 O ATOM 807 CB ASP A 58 -3.780 -8.012 4.387 1.00 2.22 C ATOM 808 CG ASP A 58 -4.952 -8.716 3.707 1.00 15.24 C ATOM 809 OD1 ASP A 58 -4.806 -9.894 3.312 1.00 33.30 O ATOM 810 OD2 ASP A 58 -6.030 -8.098 3.556 1.00 64.01 O ATOM 0 H ASP A 58 -3.095 -7.021 2.167 1.00 33.14 H new ATOM 0 HA ASP A 58 -4.690 -6.066 4.402 1.00 63.43 H new ATOM 0 HB2 ASP A 58 -2.847 -8.466 4.053 1.00 2.22 H new ATOM 0 HB3 ASP A 58 -3.844 -8.169 5.464 1.00 2.22 H new ATOM 815 N MET A 59 -2.979 -4.931 5.807 1.00 72.10 N ATOM 816 CA MET A 59 -1.997 -4.197 6.612 1.00 42.32 C ATOM 817 C MET A 59 -2.462 -4.053 8.062 1.00 61.43 C ATOM 818 O MET A 59 -3.635 -4.252 8.382 1.00 52.41 O ATOM 819 CB MET A 59 -1.733 -2.801 6.017 1.00 10.50 C ATOM 820 CG MET A 59 -1.049 -2.814 4.652 1.00 42.32 C ATOM 821 SD MET A 59 -0.758 -1.154 4.000 1.00 24.02 S ATOM 822 CE MET A 59 0.281 -0.446 5.278 1.00 31.35 C ATOM 0 H MET A 59 -3.949 -4.684 6.003 1.00 72.10 H new ATOM 0 HA MET A 59 -1.072 -4.774 6.597 1.00 42.32 H new ATOM 0 HB2 MET A 59 -2.682 -2.272 5.929 1.00 10.50 H new ATOM 0 HB3 MET A 59 -1.115 -2.234 6.713 1.00 10.50 H new ATOM 0 HG2 MET A 59 -0.098 -3.340 4.732 1.00 42.32 H new ATOM 0 HG3 MET A 59 -1.664 -3.374 3.947 1.00 42.32 H new ATOM 0 HE1 MET A 59 0.823 0.409 4.874 1.00 31.35 H new ATOM 0 HE2 MET A 59 -0.340 -0.121 6.113 1.00 31.35 H new ATOM 0 HE3 MET A 59 0.992 -1.195 5.625 1.00 31.35 H new ATOM 832 N THR A 60 -1.524 -3.717 8.940 1.00 73.11 N ATOM 833 CA THR A 60 -1.798 -3.505 10.336 1.00 11.31 C ATOM 834 C THR A 60 -1.059 -2.256 10.820 1.00 65.12 C ATOM 835 O THR A 60 0.094 -2.033 10.450 1.00 61.33 O ATOM 836 CB THR A 60 -1.327 -4.729 11.138 1.00 3.12 C ATOM 837 OG1 THR A 60 -2.068 -5.891 10.746 1.00 24.34 O ATOM 838 CG2 THR A 60 -1.467 -4.489 12.626 1.00 52.22 C ATOM 0 H THR A 60 -0.544 -3.585 8.689 1.00 73.11 H new ATOM 0 HA THR A 60 -2.869 -3.366 10.481 1.00 11.31 H new ATOM 0 HB THR A 60 -0.272 -4.895 10.922 1.00 3.12 H new ATOM 0 HG1 THR A 60 -1.759 -6.665 11.261 1.00 24.34 H new ATOM 0 HG21 THR A 60 -1.127 -5.370 13.170 1.00 52.22 H new ATOM 0 HG22 THR A 60 -0.863 -3.629 12.914 1.00 52.22 H new ATOM 0 HG23 THR A 60 -2.512 -4.295 12.866 1.00 52.22 H new ATOM 846 N LEU A 61 -1.728 -1.434 11.624 1.00 63.34 N ATOM 847 CA LEU A 61 -1.107 -0.235 12.185 1.00 74.33 C ATOM 848 C LEU A 61 -0.435 -0.578 13.514 1.00 5.21 C ATOM 849 O LEU A 61 -0.939 -1.419 14.256 1.00 41.30 O ATOM 850 CB LEU A 61 -2.151 0.875 12.377 1.00 63.41 C ATOM 851 CG LEU A 61 -2.898 1.299 11.099 1.00 60.13 C ATOM 852 CD1 LEU A 61 -3.950 2.360 11.413 1.00 65.35 C ATOM 853 CD2 LEU A 61 -1.916 1.801 10.036 1.00 54.14 C ATOM 0 H LEU A 61 -2.699 -1.575 11.902 1.00 63.34 H new ATOM 0 HA LEU A 61 -0.351 0.131 11.490 1.00 74.33 H new ATOM 0 HB2 LEU A 61 -2.883 0.541 13.113 1.00 63.41 H new ATOM 0 HB3 LEU A 61 -1.655 1.750 12.796 1.00 63.41 H new ATOM 0 HG LEU A 61 -3.410 0.424 10.699 1.00 60.13 H new ATOM 0 HD11 LEU A 61 -4.465 2.644 10.495 1.00 65.35 H new ATOM 0 HD12 LEU A 61 -4.671 1.958 12.124 1.00 65.35 H new ATOM 0 HD13 LEU A 61 -3.466 3.236 11.844 1.00 65.35 H new ATOM 0 HD21 LEU A 61 -2.466 2.095 9.142 1.00 54.14 H new ATOM 0 HD22 LEU A 61 -1.368 2.660 10.424 1.00 54.14 H new ATOM 0 HD23 LEU A 61 -1.214 1.006 9.785 1.00 54.14 H new ATOM 865 N THR A 62 0.675 0.105 13.808 1.00 4.20 N ATOM 866 CA THR A 62 1.540 -0.195 14.957 1.00 13.35 C ATOM 867 C THR A 62 0.755 -0.656 16.197 1.00 71.32 C ATOM 868 O THR A 62 0.989 -1.748 16.718 1.00 33.10 O ATOM 869 CB THR A 62 2.387 1.045 15.320 1.00 23.12 C ATOM 870 OG1 THR A 62 2.952 1.606 14.125 1.00 63.22 O ATOM 871 CG2 THR A 62 3.501 0.691 16.303 1.00 60.42 C ATOM 0 H THR A 62 1.004 0.892 13.249 1.00 4.20 H new ATOM 0 HA THR A 62 2.184 -1.021 14.654 1.00 13.35 H new ATOM 0 HB THR A 62 1.735 1.775 15.800 1.00 23.12 H new ATOM 0 HG1 THR A 62 3.488 2.394 14.355 1.00 63.22 H new ATOM 0 HG21 THR A 62 4.078 1.586 16.537 1.00 60.42 H new ATOM 0 HG22 THR A 62 3.065 0.290 17.218 1.00 60.42 H new ATOM 0 HG23 THR A 62 4.157 -0.056 15.856 1.00 60.42 H new ATOM 879 N SER A 63 -0.177 0.175 16.658 1.00 5.03 N ATOM 880 CA SER A 63 -0.986 -0.153 17.835 1.00 33.51 C ATOM 881 C SER A 63 -2.475 -0.159 17.481 1.00 64.31 C ATOM 882 O SER A 63 -3.335 -0.184 18.360 1.00 72.41 O ATOM 883 CB SER A 63 -0.700 0.856 18.956 1.00 50.50 C ATOM 884 OG SER A 63 0.695 0.964 19.193 1.00 13.32 O ATOM 0 H SER A 63 -0.392 1.079 16.237 1.00 5.03 H new ATOM 0 HA SER A 63 -0.719 -1.151 18.181 1.00 33.51 H new ATOM 0 HB2 SER A 63 -1.104 1.831 18.685 1.00 50.50 H new ATOM 0 HB3 SER A 63 -1.206 0.544 19.870 1.00 50.50 H new ATOM 0 HG SER A 63 0.856 1.613 19.909 1.00 13.32 H new ATOM 890 N ALA A 64 -2.761 -0.137 16.175 1.00 33.35 N ATOM 891 CA ALA A 64 -4.135 -0.126 15.652 1.00 62.42 C ATOM 892 C ALA A 64 -4.940 1.087 16.137 1.00 0.42 C ATOM 893 O ALA A 64 -6.145 1.173 15.899 1.00 4.23 O ATOM 894 CB ALA A 64 -4.849 -1.427 16.011 1.00 3.23 C ATOM 0 H ALA A 64 -2.046 -0.126 15.448 1.00 33.35 H new ATOM 0 HA ALA A 64 -4.066 -0.043 14.567 1.00 62.42 H new ATOM 0 HB1 ALA A 64 -5.865 -1.405 15.617 1.00 3.23 H new ATOM 0 HB2 ALA A 64 -4.310 -2.269 15.577 1.00 3.23 H new ATOM 0 HB3 ALA A 64 -4.882 -1.537 17.095 1.00 3.23 H new ATOM 900 N ALA A 65 -4.269 2.031 16.793 1.00 11.53 N ATOM 901 CA ALA A 65 -4.916 3.241 17.300 1.00 10.01 C ATOM 902 C ALA A 65 -4.293 4.484 16.673 1.00 73.14 C ATOM 903 O ALA A 65 -4.531 5.605 17.119 1.00 51.11 O ATOM 904 CB ALA A 65 -4.811 3.295 18.822 1.00 73.31 C ATOM 0 H ALA A 65 -3.269 1.981 16.988 1.00 11.53 H new ATOM 0 HA ALA A 65 -5.971 3.214 17.026 1.00 10.01 H new ATOM 0 HB1 ALA A 65 -5.296 4.200 19.188 1.00 73.31 H new ATOM 0 HB2 ALA A 65 -5.301 2.421 19.252 1.00 73.31 H new ATOM 0 HB3 ALA A 65 -3.761 3.302 19.114 1.00 73.31 H new ATOM 910 N CYS A 66 -3.507 4.274 15.622 1.00 71.50 N ATOM 911 CA CYS A 66 -2.790 5.358 14.957 1.00 5.33 C ATOM 912 C CYS A 66 -3.580 5.860 13.747 1.00 61.11 C ATOM 913 O CYS A 66 -4.152 5.061 13.004 1.00 21.32 O ATOM 914 CB CYS A 66 -1.404 4.871 14.513 1.00 64.15 C ATOM 915 SG CYS A 66 -0.449 6.094 13.587 1.00 33.44 S ATOM 0 H CYS A 66 -3.349 3.355 15.209 1.00 71.50 H new ATOM 0 HA CYS A 66 -2.672 6.182 15.661 1.00 5.33 H new ATOM 0 HB2 CYS A 66 -0.836 4.575 15.395 1.00 64.15 H new ATOM 0 HB3 CYS A 66 -1.525 3.979 13.898 1.00 64.15 H new ATOM 0 HG CYS A 66 0.703 5.588 13.261 1.00 33.44 H new ATOM 921 N PRO A 67 -3.613 7.190 13.520 1.00 72.20 N ATOM 922 CA PRO A 67 -4.315 7.790 12.369 1.00 2.12 C ATOM 923 C PRO A 67 -3.513 7.666 11.066 1.00 11.12 C ATOM 924 O PRO A 67 -3.798 8.345 10.076 1.00 43.32 O ATOM 925 CB PRO A 67 -4.453 9.259 12.790 1.00 73.10 C ATOM 926 CG PRO A 67 -3.248 9.513 13.632 1.00 0.01 C ATOM 927 CD PRO A 67 -2.977 8.224 14.369 1.00 54.10 C ATOM 0 HA PRO A 67 -5.264 7.299 12.154 1.00 2.12 H new ATOM 0 HB2 PRO A 67 -4.480 9.921 11.924 1.00 73.10 H new ATOM 0 HB3 PRO A 67 -5.373 9.428 13.350 1.00 73.10 H new ATOM 0 HG2 PRO A 67 -2.395 9.797 13.016 1.00 0.01 H new ATOM 0 HG3 PRO A 67 -3.425 10.332 14.330 1.00 0.01 H new ATOM 0 HD2 PRO A 67 -1.908 8.046 14.483 1.00 54.10 H new ATOM 0 HD3 PRO A 67 -3.406 8.238 15.371 1.00 54.10 H new ATOM 935 N LEU A 68 -2.533 6.763 11.068 1.00 11.32 N ATOM 936 CA LEU A 68 -1.637 6.565 9.931 1.00 44.41 C ATOM 937 C LEU A 68 -2.393 5.948 8.755 1.00 72.20 C ATOM 938 O LEU A 68 -1.907 5.948 7.623 1.00 13.34 O ATOM 939 CB LEU A 68 -0.469 5.655 10.354 1.00 42.12 C ATOM 940 CG LEU A 68 0.623 5.422 9.295 1.00 25.53 C ATOM 941 CD1 LEU A 68 1.352 6.721 8.963 1.00 23.44 C ATOM 942 CD2 LEU A 68 1.608 4.351 9.763 1.00 64.41 C ATOM 0 H LEU A 68 -2.338 6.148 11.858 1.00 11.32 H new ATOM 0 HA LEU A 68 -1.244 7.531 9.613 1.00 44.41 H new ATOM 0 HB2 LEU A 68 -0.002 6.085 11.240 1.00 42.12 H new ATOM 0 HB3 LEU A 68 -0.876 4.687 10.646 1.00 42.12 H new ATOM 0 HG LEU A 68 0.139 5.068 8.384 1.00 25.53 H new ATOM 0 HD11 LEU A 68 2.118 6.527 8.212 1.00 23.44 H new ATOM 0 HD12 LEU A 68 0.640 7.449 8.575 1.00 23.44 H new ATOM 0 HD13 LEU A 68 1.820 7.116 9.865 1.00 23.44 H new ATOM 0 HD21 LEU A 68 2.372 4.201 9.000 1.00 64.41 H new ATOM 0 HD22 LEU A 68 2.080 4.672 10.692 1.00 64.41 H new ATOM 0 HD23 LEU A 68 1.075 3.415 9.931 1.00 64.41 H new ATOM 954 N THR A 69 -3.592 5.446 9.042 1.00 53.52 N ATOM 955 CA THR A 69 -4.416 4.741 8.065 1.00 55.32 C ATOM 956 C THR A 69 -4.551 5.531 6.751 1.00 73.21 C ATOM 957 O THR A 69 -4.163 5.045 5.684 1.00 51.44 O ATOM 958 CB THR A 69 -5.808 4.411 8.676 1.00 74.43 C ATOM 959 OG1 THR A 69 -6.585 3.602 7.783 1.00 40.03 O ATOM 960 CG2 THR A 69 -6.595 5.666 9.046 1.00 34.45 C ATOM 0 H THR A 69 -4.021 5.518 9.965 1.00 53.52 H new ATOM 0 HA THR A 69 -3.917 3.805 7.816 1.00 55.32 H new ATOM 0 HB THR A 69 -5.615 3.854 9.593 1.00 74.43 H new ATOM 0 HG1 THR A 69 -6.226 2.690 7.771 1.00 40.03 H new ATOM 0 HG21 THR A 69 -7.559 5.380 9.468 1.00 34.45 H new ATOM 0 HG22 THR A 69 -6.034 6.244 9.781 1.00 34.45 H new ATOM 0 HG23 THR A 69 -6.755 6.271 8.154 1.00 34.45 H new ATOM 968 N ASP A 70 -5.041 6.768 6.836 1.00 62.33 N ATOM 969 CA ASP A 70 -5.274 7.582 5.645 1.00 64.11 C ATOM 970 C ASP A 70 -3.960 7.869 4.935 1.00 52.25 C ATOM 971 O ASP A 70 -3.894 7.875 3.705 1.00 51.31 O ATOM 972 CB ASP A 70 -5.969 8.900 6.013 1.00 10.54 C ATOM 973 CG ASP A 70 -6.146 9.820 4.809 1.00 10.12 C ATOM 974 OD1 ASP A 70 -7.103 9.616 4.033 1.00 51.53 O ATOM 975 OD2 ASP A 70 -5.326 10.751 4.637 1.00 14.34 O ATOM 0 H ASP A 70 -5.283 7.226 7.714 1.00 62.33 H new ATOM 0 HA ASP A 70 -5.925 7.022 4.974 1.00 64.11 H new ATOM 0 HB2 ASP A 70 -6.945 8.684 6.448 1.00 10.54 H new ATOM 0 HB3 ASP A 70 -5.386 9.414 6.777 1.00 10.54 H new ATOM 980 N VAL A 71 -2.912 8.080 5.725 1.00 32.14 N ATOM 981 CA VAL A 71 -1.600 8.410 5.190 1.00 63.33 C ATOM 982 C VAL A 71 -1.069 7.274 4.322 1.00 53.21 C ATOM 983 O VAL A 71 -0.724 7.485 3.161 1.00 41.44 O ATOM 984 CB VAL A 71 -0.584 8.709 6.323 1.00 62.31 C ATOM 985 CG1 VAL A 71 0.785 9.085 5.748 1.00 61.13 C ATOM 986 CG2 VAL A 71 -1.111 9.810 7.241 1.00 32.22 C ATOM 0 H VAL A 71 -2.949 8.027 6.743 1.00 32.14 H new ATOM 0 HA VAL A 71 -1.717 9.306 4.581 1.00 63.33 H new ATOM 0 HB VAL A 71 -0.459 7.802 6.915 1.00 62.31 H new ATOM 0 HG11 VAL A 71 1.478 9.290 6.564 1.00 61.13 H new ATOM 0 HG12 VAL A 71 1.166 8.260 5.146 1.00 61.13 H new ATOM 0 HG13 VAL A 71 0.686 9.973 5.124 1.00 61.13 H new ATOM 0 HG21 VAL A 71 -0.384 10.005 8.029 1.00 32.22 H new ATOM 0 HG22 VAL A 71 -1.272 10.720 6.663 1.00 32.22 H new ATOM 0 HG23 VAL A 71 -2.053 9.492 7.687 1.00 32.22 H new ATOM 996 N ILE A 72 -1.051 6.057 4.869 1.00 13.21 N ATOM 997 CA ILE A 72 -0.514 4.907 4.145 1.00 50.35 C ATOM 998 C ILE A 72 -1.402 4.535 2.960 1.00 31.13 C ATOM 999 O ILE A 72 -0.903 4.123 1.908 1.00 63.13 O ATOM 1000 CB ILE A 72 -0.272 3.676 5.075 1.00 20.15 C ATOM 1001 CG1 ILE A 72 -1.515 3.323 5.928 1.00 52.34 C ATOM 1002 CG2 ILE A 72 0.939 3.926 5.975 1.00 62.13 C ATOM 1003 CD1 ILE A 72 -2.519 2.417 5.239 1.00 74.32 C ATOM 0 H ILE A 72 -1.400 5.845 5.804 1.00 13.21 H new ATOM 0 HA ILE A 72 0.460 5.207 3.759 1.00 50.35 H new ATOM 0 HB ILE A 72 -0.075 2.819 4.431 1.00 20.15 H new ATOM 0 HG12 ILE A 72 -1.183 2.842 6.848 1.00 52.34 H new ATOM 0 HG13 ILE A 72 -2.017 4.247 6.215 1.00 52.34 H new ATOM 0 HG21 ILE A 72 1.098 3.061 6.619 1.00 62.13 H new ATOM 0 HG22 ILE A 72 1.823 4.087 5.359 1.00 62.13 H new ATOM 0 HG23 ILE A 72 0.760 4.808 6.590 1.00 62.13 H new ATOM 0 HD11 ILE A 72 -3.355 2.223 5.911 1.00 74.32 H new ATOM 0 HD12 ILE A 72 -2.885 2.902 4.334 1.00 74.32 H new ATOM 0 HD13 ILE A 72 -2.039 1.474 4.977 1.00 74.32 H new ATOM 1015 N GLU A 73 -2.711 4.701 3.120 1.00 44.22 N ATOM 1016 CA GLU A 73 -3.642 4.474 2.022 1.00 2.21 C ATOM 1017 C GLU A 73 -3.367 5.443 0.883 1.00 43.00 C ATOM 1018 O GLU A 73 -3.294 5.043 -0.278 1.00 2.44 O ATOM 1019 CB GLU A 73 -5.088 4.618 2.498 1.00 64.03 C ATOM 1020 CG GLU A 73 -5.548 3.467 3.372 1.00 14.41 C ATOM 1021 CD GLU A 73 -6.968 3.647 3.873 1.00 60.45 C ATOM 1022 OE1 GLU A 73 -7.146 4.167 5.001 1.00 2.12 O ATOM 1023 OE2 GLU A 73 -7.912 3.281 3.141 1.00 71.55 O ATOM 0 H GLU A 73 -3.149 4.990 3.995 1.00 44.22 H new ATOM 0 HA GLU A 73 -3.498 3.456 1.660 1.00 2.21 H new ATOM 0 HB2 GLU A 73 -5.189 5.550 3.054 1.00 64.03 H new ATOM 0 HB3 GLU A 73 -5.744 4.691 1.630 1.00 64.03 H new ATOM 0 HG2 GLU A 73 -5.481 2.537 2.807 1.00 14.41 H new ATOM 0 HG3 GLU A 73 -4.875 3.371 4.224 1.00 14.41 H new ATOM 1030 N ASP A 74 -3.199 6.713 1.224 1.00 61.22 N ATOM 1031 CA ASP A 74 -2.935 7.742 0.227 1.00 25.30 C ATOM 1032 C ASP A 74 -1.610 7.485 -0.483 1.00 60.31 C ATOM 1033 O ASP A 74 -1.547 7.522 -1.708 1.00 0.14 O ATOM 1034 CB ASP A 74 -2.933 9.136 0.859 1.00 40.20 C ATOM 1035 CG ASP A 74 -2.498 10.213 -0.126 1.00 32.50 C ATOM 1036 OD1 ASP A 74 -1.369 10.730 0.015 1.00 33.23 O ATOM 1037 OD2 ASP A 74 -3.274 10.531 -1.057 1.00 12.52 O ATOM 0 H ASP A 74 -3.241 7.056 2.184 1.00 61.22 H new ATOM 0 HA ASP A 74 -3.738 7.700 -0.509 1.00 25.30 H new ATOM 0 HB2 ASP A 74 -3.932 9.367 1.229 1.00 40.20 H new ATOM 0 HB3 ASP A 74 -2.265 9.142 1.720 1.00 40.20 H new ATOM 1042 N GLN A 75 -0.561 7.204 0.292 1.00 15.12 N ATOM 1043 CA GLN A 75 0.766 6.949 -0.276 1.00 51.54 C ATOM 1044 C GLN A 75 0.708 5.787 -1.268 1.00 74.43 C ATOM 1045 O GLN A 75 1.074 5.935 -2.440 1.00 4.21 O ATOM 1046 CB GLN A 75 1.792 6.640 0.829 1.00 42.20 C ATOM 1047 CG GLN A 75 1.973 7.753 1.858 1.00 14.15 C ATOM 1048 CD GLN A 75 2.270 9.104 1.233 1.00 13.23 C ATOM 1049 OE1 GLN A 75 3.425 9.457 0.999 1.00 73.33 O ATOM 1050 NE2 GLN A 75 1.227 9.873 0.963 1.00 33.21 N ATOM 0 H GLN A 75 -0.603 7.147 1.310 1.00 15.12 H new ATOM 0 HA GLN A 75 1.083 7.851 -0.799 1.00 51.54 H new ATOM 0 HB2 GLN A 75 1.486 5.731 1.347 1.00 42.20 H new ATOM 0 HB3 GLN A 75 2.756 6.433 0.364 1.00 42.20 H new ATOM 0 HG2 GLN A 75 1.069 7.831 2.462 1.00 14.15 H new ATOM 0 HG3 GLN A 75 2.786 7.486 2.533 1.00 14.15 H new ATOM 0 HE21 GLN A 75 0.284 9.545 1.172 1.00 33.21 H new ATOM 0 HE22 GLN A 75 1.366 10.794 0.546 1.00 33.21 H new ATOM 1059 N SER A 76 0.214 4.643 -0.794 1.00 13.43 N ATOM 1060 CA SER A 76 0.124 3.440 -1.614 1.00 52.24 C ATOM 1061 C SER A 76 -0.749 3.693 -2.848 1.00 72.01 C ATOM 1062 O SER A 76 -0.310 3.487 -3.986 1.00 4.52 O ATOM 1063 CB SER A 76 -0.440 2.277 -0.782 1.00 34.30 C ATOM 1064 OG SER A 76 -0.492 1.076 -1.533 1.00 23.42 O ATOM 0 H SER A 76 -0.131 4.527 0.159 1.00 13.43 H new ATOM 0 HA SER A 76 1.124 3.173 -1.955 1.00 52.24 H new ATOM 0 HB2 SER A 76 0.179 2.127 0.102 1.00 34.30 H new ATOM 0 HB3 SER A 76 -1.440 2.531 -0.431 1.00 34.30 H new ATOM 0 HG SER A 76 -0.853 0.356 -0.975 1.00 23.42 H new ATOM 1070 N ARG A 77 -1.977 4.162 -2.621 1.00 5.21 N ATOM 1071 CA ARG A 77 -2.908 4.441 -3.716 1.00 54.03 C ATOM 1072 C ARG A 77 -2.276 5.392 -4.727 1.00 21.54 C ATOM 1073 O ARG A 77 -2.381 5.184 -5.934 1.00 71.44 O ATOM 1074 CB ARG A 77 -4.229 5.025 -3.163 1.00 72.50 C ATOM 1075 CG ARG A 77 -5.354 5.197 -4.196 1.00 31.24 C ATOM 1076 CD ARG A 77 -5.243 6.509 -4.971 1.00 40.14 C ATOM 1077 NE ARG A 77 -6.323 6.662 -5.952 1.00 51.13 N ATOM 1078 CZ ARG A 77 -7.054 7.773 -6.100 1.00 33.35 C ATOM 1079 NH1 ARG A 77 -6.842 8.822 -5.307 1.00 14.54 N ATOM 1080 NH2 ARG A 77 -7.997 7.828 -7.035 1.00 5.11 N ATOM 0 H ARG A 77 -2.349 4.356 -1.692 1.00 5.21 H new ATOM 0 HA ARG A 77 -3.134 3.505 -4.227 1.00 54.03 H new ATOM 0 HB2 ARG A 77 -4.588 4.376 -2.364 1.00 72.50 H new ATOM 0 HB3 ARG A 77 -4.018 5.996 -2.715 1.00 72.50 H new ATOM 0 HG2 ARG A 77 -5.330 4.362 -4.896 1.00 31.24 H new ATOM 0 HG3 ARG A 77 -6.318 5.159 -3.688 1.00 31.24 H new ATOM 0 HD2 ARG A 77 -5.267 7.346 -4.273 1.00 40.14 H new ATOM 0 HD3 ARG A 77 -4.281 6.548 -5.482 1.00 40.14 H new ATOM 0 HE ARG A 77 -6.530 5.870 -6.561 1.00 51.13 H new ATOM 0 HH11 ARG A 77 -6.122 8.779 -4.586 1.00 14.54 H new ATOM 0 HH12 ARG A 77 -7.400 9.668 -5.421 1.00 14.54 H new ATOM 0 HH21 ARG A 77 -8.163 7.023 -7.640 1.00 5.11 H new ATOM 0 HH22 ARG A 77 -8.554 8.675 -7.148 1.00 5.11 H new ATOM 1094 N SER A 78 -1.597 6.417 -4.226 1.00 44.03 N ATOM 1095 CA SER A 78 -1.038 7.458 -5.075 1.00 4.21 C ATOM 1096 C SER A 78 -0.106 6.858 -6.133 1.00 45.12 C ATOM 1097 O SER A 78 -0.281 7.105 -7.326 1.00 11.24 O ATOM 1098 CB SER A 78 -0.293 8.499 -4.227 1.00 11.02 C ATOM 1099 OG SER A 78 -0.074 9.696 -4.952 1.00 51.23 O ATOM 0 H SER A 78 -1.420 6.548 -3.230 1.00 44.03 H new ATOM 0 HA SER A 78 -1.860 7.955 -5.591 1.00 4.21 H new ATOM 0 HB2 SER A 78 -0.869 8.717 -3.327 1.00 11.02 H new ATOM 0 HB3 SER A 78 0.663 8.089 -3.902 1.00 11.02 H new ATOM 0 HG SER A 78 0.400 10.340 -4.385 1.00 51.23 H new ATOM 1105 N ALA A 79 0.868 6.055 -5.701 1.00 54.22 N ATOM 1106 CA ALA A 79 1.842 5.490 -6.632 1.00 21.23 C ATOM 1107 C ALA A 79 1.229 4.363 -7.468 1.00 44.31 C ATOM 1108 O ALA A 79 1.218 4.438 -8.699 1.00 21.13 O ATOM 1109 CB ALA A 79 3.064 4.983 -5.867 1.00 55.42 C ATOM 0 H ALA A 79 1.002 5.785 -4.726 1.00 54.22 H new ATOM 0 HA ALA A 79 2.152 6.279 -7.318 1.00 21.23 H new ATOM 0 HB1 ALA A 79 3.785 4.564 -6.569 1.00 55.42 H new ATOM 0 HB2 ALA A 79 3.524 5.810 -5.326 1.00 55.42 H new ATOM 0 HB3 ALA A 79 2.757 4.213 -5.159 1.00 55.42 H new ATOM 1115 N LEU A 80 0.606 3.391 -6.795 1.00 50.23 N ATOM 1116 CA LEU A 80 0.105 2.181 -7.465 1.00 11.14 C ATOM 1117 C LEU A 80 -0.938 2.529 -8.526 1.00 41.51 C ATOM 1118 O LEU A 80 -1.039 1.870 -9.567 1.00 41.32 O ATOM 1119 CB LEU A 80 -0.479 1.188 -6.440 1.00 31.11 C ATOM 1120 CG LEU A 80 0.549 0.324 -5.680 1.00 61.42 C ATOM 1121 CD1 LEU A 80 1.312 -0.584 -6.643 1.00 72.14 C ATOM 1122 CD2 LEU A 80 1.522 1.189 -4.882 1.00 25.11 C ATOM 0 H LEU A 80 0.436 3.415 -5.790 1.00 50.23 H new ATOM 0 HA LEU A 80 0.949 1.705 -7.964 1.00 11.14 H new ATOM 0 HB2 LEU A 80 -1.063 1.749 -5.711 1.00 31.11 H new ATOM 0 HB3 LEU A 80 -1.170 0.524 -6.959 1.00 31.11 H new ATOM 0 HG LEU A 80 -0.002 -0.300 -4.976 1.00 61.42 H new ATOM 0 HD11 LEU A 80 2.031 -1.184 -6.085 1.00 72.14 H new ATOM 0 HD12 LEU A 80 0.610 -1.242 -7.155 1.00 72.14 H new ATOM 0 HD13 LEU A 80 1.840 0.025 -7.377 1.00 72.14 H new ATOM 0 HD21 LEU A 80 2.233 0.549 -4.359 1.00 25.11 H new ATOM 0 HD22 LEU A 80 2.061 1.851 -5.560 1.00 25.11 H new ATOM 0 HD23 LEU A 80 0.968 1.785 -4.157 1.00 25.11 H new ATOM 1134 N VAL A 81 -1.713 3.567 -8.253 1.00 34.01 N ATOM 1135 CA VAL A 81 -2.683 4.082 -9.205 1.00 25.30 C ATOM 1136 C VAL A 81 -2.007 5.078 -10.151 1.00 64.41 C ATOM 1137 O VAL A 81 -2.436 5.251 -11.295 1.00 13.11 O ATOM 1138 CB VAL A 81 -3.892 4.741 -8.492 1.00 2.24 C ATOM 1139 CG1 VAL A 81 -4.894 5.288 -9.504 1.00 1.31 C ATOM 1140 CG2 VAL A 81 -4.567 3.742 -7.549 1.00 0.13 C ATOM 0 H VAL A 81 -1.687 4.074 -7.368 1.00 34.01 H new ATOM 0 HA VAL A 81 -3.067 3.242 -9.784 1.00 25.30 H new ATOM 0 HB VAL A 81 -3.521 5.579 -7.901 1.00 2.24 H new ATOM 0 HG11 VAL A 81 -5.732 5.744 -8.976 1.00 1.31 H new ATOM 0 HG12 VAL A 81 -4.408 6.037 -10.129 1.00 1.31 H new ATOM 0 HG13 VAL A 81 -5.260 4.474 -10.130 1.00 1.31 H new ATOM 0 HG21 VAL A 81 -5.413 4.221 -7.057 1.00 0.13 H new ATOM 0 HG22 VAL A 81 -4.918 2.883 -8.120 1.00 0.13 H new ATOM 0 HG23 VAL A 81 -3.851 3.410 -6.797 1.00 0.13 H new ATOM 1150 N GLY A 82 -0.940 5.721 -9.669 1.00 40.03 N ATOM 1151 CA GLY A 82 -0.290 6.779 -10.426 1.00 31.32 C ATOM 1152 C GLY A 82 0.336 6.264 -11.705 1.00 71.02 C ATOM 1153 O GLY A 82 0.145 6.846 -12.776 1.00 41.13 O ATOM 0 H GLY A 82 -0.515 5.525 -8.763 1.00 40.03 H new ATOM 0 HA2 GLY A 82 -1.019 7.553 -10.666 1.00 31.32 H new ATOM 0 HA3 GLY A 82 0.478 7.246 -9.809 1.00 31.32 H new ATOM 1157 N SER A 83 1.082 5.168 -11.600 1.00 34.50 N ATOM 1158 CA SER A 83 1.651 4.523 -12.778 1.00 0.31 C ATOM 1159 C SER A 83 0.580 3.682 -13.471 1.00 22.53 C ATOM 1160 O SER A 83 0.664 3.406 -14.671 1.00 1.23 O ATOM 1161 CB SER A 83 2.846 3.652 -12.382 1.00 32.15 C ATOM 1162 OG SER A 83 3.766 4.388 -11.591 1.00 64.41 O ATOM 0 H SER A 83 1.305 4.710 -10.716 1.00 34.50 H new ATOM 0 HA SER A 83 2.002 5.288 -13.470 1.00 0.31 H new ATOM 0 HB2 SER A 83 2.498 2.780 -11.827 1.00 32.15 H new ATOM 0 HB3 SER A 83 3.345 3.282 -13.278 1.00 32.15 H new ATOM 0 HG SER A 83 3.867 3.954 -10.718 1.00 64.41 H new ATOM 1168 N GLY A 84 -0.437 3.296 -12.700 1.00 53.51 N ATOM 1169 CA GLY A 84 -1.577 2.589 -13.251 1.00 11.24 C ATOM 1170 C GLY A 84 -1.408 1.084 -13.243 1.00 25.34 C ATOM 1171 O GLY A 84 -1.630 0.427 -14.260 1.00 23.13 O ATOM 0 H GLY A 84 -0.488 3.464 -11.695 1.00 53.51 H new ATOM 0 HA2 GLY A 84 -2.469 2.851 -12.681 1.00 11.24 H new ATOM 0 HA3 GLY A 84 -1.743 2.924 -14.275 1.00 11.24 H new ATOM 1175 N LEU A 85 -1.000 0.528 -12.106 1.00 15.23 N ATOM 1176 CA LEU A 85 -0.971 -0.925 -11.944 1.00 42.03 C ATOM 1177 C LEU A 85 -2.377 -1.416 -11.619 1.00 35.02 C ATOM 1178 O LEU A 85 -2.791 -2.497 -12.042 1.00 13.12 O ATOM 1179 CB LEU A 85 0.013 -1.351 -10.842 1.00 21.31 C ATOM 1180 CG LEU A 85 1.482 -0.961 -11.079 1.00 54.13 C ATOM 1181 CD1 LEU A 85 2.390 -1.624 -10.047 1.00 0.24 C ATOM 1182 CD2 LEU A 85 1.924 -1.323 -12.496 1.00 60.10 C ATOM 0 H LEU A 85 -0.687 1.054 -11.290 1.00 15.23 H new ATOM 0 HA LEU A 85 -0.627 -1.374 -12.876 1.00 42.03 H new ATOM 0 HB2 LEU A 85 -0.313 -0.913 -9.899 1.00 21.31 H new ATOM 0 HB3 LEU A 85 -0.043 -2.433 -10.727 1.00 21.31 H new ATOM 0 HG LEU A 85 1.565 0.120 -10.965 1.00 54.13 H new ATOM 0 HD11 LEU A 85 3.424 -1.335 -10.233 1.00 0.24 H new ATOM 0 HD12 LEU A 85 2.098 -1.304 -9.047 1.00 0.24 H new ATOM 0 HD13 LEU A 85 2.297 -2.707 -10.123 1.00 0.24 H new ATOM 0 HD21 LEU A 85 2.966 -1.036 -12.636 1.00 60.10 H new ATOM 0 HD22 LEU A 85 1.820 -2.398 -12.646 1.00 60.10 H new ATOM 0 HD23 LEU A 85 1.302 -0.794 -13.218 1.00 60.10 H new ATOM 1194 N VAL A 86 -3.101 -0.595 -10.862 1.00 72.44 N ATOM 1195 CA VAL A 86 -4.509 -0.828 -10.545 1.00 21.02 C ATOM 1196 C VAL A 86 -5.245 0.508 -10.502 1.00 3.01 C ATOM 1197 O VAL A 86 -4.616 1.558 -10.357 1.00 54.44 O ATOM 1198 CB VAL A 86 -4.696 -1.561 -9.187 1.00 60.11 C ATOM 1199 CG1 VAL A 86 -4.203 -3.006 -9.269 1.00 33.31 C ATOM 1200 CG2 VAL A 86 -3.982 -0.804 -8.066 1.00 73.14 C ATOM 0 H VAL A 86 -2.725 0.258 -10.448 1.00 72.44 H new ATOM 0 HA VAL A 86 -4.919 -1.469 -11.325 1.00 21.02 H new ATOM 0 HB VAL A 86 -5.762 -1.586 -8.959 1.00 60.11 H new ATOM 0 HG11 VAL A 86 -4.346 -3.494 -8.305 1.00 33.31 H new ATOM 0 HG12 VAL A 86 -4.767 -3.540 -10.034 1.00 33.31 H new ATOM 0 HG13 VAL A 86 -3.144 -3.015 -9.527 1.00 33.31 H new ATOM 0 HG21 VAL A 86 -4.124 -1.332 -7.123 1.00 73.14 H new ATOM 0 HG22 VAL A 86 -2.917 -0.741 -8.290 1.00 73.14 H new ATOM 0 HG23 VAL A 86 -4.396 0.201 -7.985 1.00 73.14 H new ATOM 1210 N ASP A 87 -6.567 0.473 -10.628 1.00 55.24 N ATOM 1211 CA ASP A 87 -7.362 1.701 -10.661 1.00 15.34 C ATOM 1212 C ASP A 87 -7.657 2.190 -9.246 1.00 60.11 C ATOM 1213 O ASP A 87 -7.767 3.396 -9.003 1.00 63.11 O ATOM 1214 CB ASP A 87 -8.670 1.473 -11.432 1.00 13.40 C ATOM 1215 CG ASP A 87 -9.438 2.767 -11.675 1.00 52.44 C ATOM 1216 OD1 ASP A 87 -9.002 3.571 -12.529 1.00 35.50 O ATOM 1217 OD2 ASP A 87 -10.482 2.984 -11.028 1.00 4.02 O ATOM 0 H ASP A 87 -7.111 -0.386 -10.709 1.00 55.24 H new ATOM 0 HA ASP A 87 -6.785 2.469 -11.176 1.00 15.34 H new ATOM 0 HB2 ASP A 87 -8.446 1.002 -12.389 1.00 13.40 H new ATOM 0 HB3 ASP A 87 -9.300 0.780 -10.875 1.00 13.40 H new ATOM 1222 N ASP A 88 -7.765 1.246 -8.312 1.00 1.01 N ATOM 1223 CA ASP A 88 -8.063 1.559 -6.913 1.00 72.03 C ATOM 1224 C ASP A 88 -7.480 0.483 -5.994 1.00 30.11 C ATOM 1225 O ASP A 88 -7.081 -0.595 -6.460 1.00 73.32 O ATOM 1226 CB ASP A 88 -9.584 1.670 -6.710 1.00 53.34 C ATOM 1227 CG ASP A 88 -9.968 2.051 -5.287 1.00 11.25 C ATOM 1228 OD1 ASP A 88 -9.424 3.053 -4.775 1.00 53.54 O ATOM 1229 OD2 ASP A 88 -10.817 1.365 -4.684 1.00 65.54 O ATOM 0 H ASP A 88 -7.650 0.250 -8.500 1.00 1.01 H new ATOM 0 HA ASP A 88 -7.605 2.515 -6.660 1.00 72.03 H new ATOM 0 HB2 ASP A 88 -9.984 2.413 -7.400 1.00 53.34 H new ATOM 0 HB3 ASP A 88 -10.049 0.717 -6.963 1.00 53.34 H new ATOM 1234 N ILE A 89 -7.420 0.773 -4.693 1.00 44.52 N ATOM 1235 CA ILE A 89 -6.911 -0.181 -3.710 1.00 35.40 C ATOM 1236 C ILE A 89 -7.792 -0.199 -2.463 1.00 21.55 C ATOM 1237 O ILE A 89 -8.464 0.784 -2.143 1.00 35.21 O ATOM 1238 CB ILE A 89 -5.451 0.120 -3.271 1.00 20.02 C ATOM 1239 CG1 ILE A 89 -5.377 1.439 -2.478 1.00 60.32 C ATOM 1240 CG2 ILE A 89 -4.513 0.165 -4.477 1.00 72.11 C ATOM 1241 CD1 ILE A 89 -4.031 1.686 -1.828 1.00 4.33 C ATOM 0 H ILE A 89 -7.719 1.664 -4.296 1.00 44.52 H new ATOM 0 HA ILE A 89 -6.928 -1.152 -4.206 1.00 35.40 H new ATOM 0 HB ILE A 89 -5.126 -0.690 -2.619 1.00 20.02 H new ATOM 0 HG12 ILE A 89 -5.604 2.268 -3.148 1.00 60.32 H new ATOM 0 HG13 ILE A 89 -6.147 1.432 -1.707 1.00 60.32 H new ATOM 0 HG21 ILE A 89 -3.498 0.377 -4.141 1.00 72.11 H new ATOM 0 HG22 ILE A 89 -4.532 -0.797 -4.989 1.00 72.11 H new ATOM 0 HG23 ILE A 89 -4.839 0.947 -5.163 1.00 72.11 H new ATOM 0 HD11 ILE A 89 -4.056 2.633 -1.288 1.00 4.33 H new ATOM 0 HD12 ILE A 89 -3.809 0.877 -1.132 1.00 4.33 H new ATOM 0 HD13 ILE A 89 -3.258 1.726 -2.596 1.00 4.33 H new ATOM 1253 N ARG A 90 -7.775 -1.323 -1.763 1.00 43.51 N ATOM 1254 CA ARG A 90 -8.476 -1.471 -0.498 1.00 31.35 C ATOM 1255 C ARG A 90 -7.547 -2.119 0.516 1.00 24.10 C ATOM 1256 O ARG A 90 -7.198 -3.293 0.387 1.00 14.44 O ATOM 1257 CB ARG A 90 -9.734 -2.316 -0.671 1.00 72.04 C ATOM 1258 CG ARG A 90 -10.450 -2.660 0.634 1.00 5.53 C ATOM 1259 CD ARG A 90 -10.679 -1.421 1.485 1.00 52.22 C ATOM 1260 NE ARG A 90 -11.789 -1.582 2.439 1.00 13.43 N ATOM 1261 CZ ARG A 90 -11.657 -1.709 3.764 1.00 52.33 C ATOM 1262 NH1 ARG A 90 -10.460 -1.725 4.332 1.00 63.44 N ATOM 1263 NH2 ARG A 90 -12.738 -1.820 4.524 1.00 31.11 N ATOM 0 H ARG A 90 -7.273 -2.160 -2.058 1.00 43.51 H new ATOM 0 HA ARG A 90 -8.777 -0.485 -0.143 1.00 31.35 H new ATOM 0 HB2 ARG A 90 -10.428 -1.783 -1.322 1.00 72.04 H new ATOM 0 HB3 ARG A 90 -9.467 -3.242 -1.180 1.00 72.04 H new ATOM 0 HG2 ARG A 90 -11.407 -3.133 0.412 1.00 5.53 H new ATOM 0 HG3 ARG A 90 -9.859 -3.384 1.195 1.00 5.53 H new ATOM 0 HD2 ARG A 90 -9.766 -1.188 2.033 1.00 52.22 H new ATOM 0 HD3 ARG A 90 -10.886 -0.572 0.834 1.00 52.22 H new ATOM 0 HE ARG A 90 -12.735 -1.598 2.059 1.00 13.43 H new ATOM 0 HH11 ARG A 90 -9.622 -1.640 3.757 1.00 63.44 H new ATOM 0 HH12 ARG A 90 -10.377 -1.823 5.344 1.00 63.44 H new ATOM 0 HH21 ARG A 90 -13.665 -1.808 4.098 1.00 31.11 H new ATOM 0 HH22 ARG A 90 -12.643 -1.917 5.535 1.00 31.11 H new ATOM 1277 N ILE A 91 -7.134 -1.349 1.503 1.00 10.25 N ATOM 1278 CA ILE A 91 -6.272 -1.854 2.554 1.00 62.30 C ATOM 1279 C ILE A 91 -7.109 -2.368 3.721 1.00 61.22 C ATOM 1280 O ILE A 91 -7.927 -1.635 4.271 1.00 72.12 O ATOM 1281 CB ILE A 91 -5.285 -0.760 3.034 1.00 4.13 C ATOM 1282 CG1 ILE A 91 -4.336 -0.370 1.882 1.00 53.25 C ATOM 1283 CG2 ILE A 91 -4.500 -1.230 4.259 1.00 21.44 C ATOM 1284 CD1 ILE A 91 -3.302 0.677 2.249 1.00 72.14 C ATOM 0 H ILE A 91 -7.383 -0.365 1.600 1.00 10.25 H new ATOM 0 HA ILE A 91 -5.688 -2.681 2.150 1.00 62.30 H new ATOM 0 HB ILE A 91 -5.855 0.121 3.330 1.00 4.13 H new ATOM 0 HG12 ILE A 91 -3.821 -1.265 1.533 1.00 53.25 H new ATOM 0 HG13 ILE A 91 -4.931 0.001 1.047 1.00 53.25 H new ATOM 0 HG21 ILE A 91 -3.815 -0.444 4.576 1.00 21.44 H new ATOM 0 HG22 ILE A 91 -5.192 -1.456 5.070 1.00 21.44 H new ATOM 0 HG23 ILE A 91 -3.933 -2.126 4.006 1.00 21.44 H new ATOM 0 HD11 ILE A 91 -2.678 0.892 1.382 1.00 72.14 H new ATOM 0 HD12 ILE A 91 -3.806 1.589 2.568 1.00 72.14 H new ATOM 0 HD13 ILE A 91 -2.678 0.304 3.061 1.00 72.14 H new ATOM 1296 N ASN A 92 -6.911 -3.637 4.077 1.00 31.34 N ATOM 1297 CA ASN A 92 -7.637 -4.256 5.185 1.00 44.44 C ATOM 1298 C ASN A 92 -6.862 -4.003 6.468 1.00 24.13 C ATOM 1299 O ASN A 92 -5.713 -4.430 6.602 1.00 31.21 O ATOM 1300 CB ASN A 92 -7.806 -5.773 4.945 1.00 71.13 C ATOM 1301 CG ASN A 92 -8.763 -6.482 5.919 1.00 31.34 C ATOM 1302 OD1 ASN A 92 -9.425 -7.454 5.547 1.00 72.52 O ATOM 1303 ND2 ASN A 92 -8.852 -6.030 7.165 1.00 53.32 N ATOM 0 H ASN A 92 -6.250 -4.259 3.611 1.00 31.34 H new ATOM 0 HA ASN A 92 -8.633 -3.821 5.262 1.00 44.44 H new ATOM 0 HB2 ASN A 92 -8.167 -5.927 3.928 1.00 71.13 H new ATOM 0 HB3 ASN A 92 -6.827 -6.247 5.011 1.00 71.13 H new ATOM 0 HD21 ASN A 92 -9.475 -6.488 7.830 1.00 53.32 H new ATOM 0 HD22 ASN A 92 -8.297 -5.225 7.456 1.00 53.32 H new ATOM 1310 N TRP A 93 -7.488 -3.298 7.399 1.00 30.44 N ATOM 1311 CA TRP A 93 -6.839 -2.924 8.650 1.00 44.42 C ATOM 1312 C TRP A 93 -7.063 -4.001 9.702 1.00 75.24 C ATOM 1313 O TRP A 93 -8.194 -4.235 10.127 1.00 65.13 O ATOM 1314 CB TRP A 93 -7.386 -1.585 9.161 1.00 3.24 C ATOM 1315 CG TRP A 93 -7.428 -0.514 8.114 1.00 62.34 C ATOM 1316 CD1 TRP A 93 -6.367 0.167 7.586 1.00 41.04 C ATOM 1317 CD2 TRP A 93 -8.600 0.003 7.471 1.00 44.54 C ATOM 1318 NE1 TRP A 93 -6.810 1.076 6.658 1.00 14.42 N ATOM 1319 CE2 TRP A 93 -8.175 0.992 6.568 1.00 4.03 C ATOM 1320 CE3 TRP A 93 -9.966 -0.279 7.569 1.00 64.03 C ATOM 1321 CZ2 TRP A 93 -9.062 1.704 5.773 1.00 24.00 C ATOM 1322 CZ3 TRP A 93 -10.849 0.430 6.776 1.00 21.02 C ATOM 1323 CH2 TRP A 93 -10.394 1.411 5.887 1.00 2.21 C ATOM 0 H TRP A 93 -8.450 -2.971 7.312 1.00 30.44 H new ATOM 0 HA TRP A 93 -5.770 -2.821 8.463 1.00 44.42 H new ATOM 0 HB2 TRP A 93 -8.392 -1.739 9.552 1.00 3.24 H new ATOM 0 HB3 TRP A 93 -6.769 -1.244 9.993 1.00 3.24 H new ATOM 0 HD1 TRP A 93 -5.333 0.013 7.859 1.00 41.04 H new ATOM 0 HE1 TRP A 93 -6.219 1.711 6.122 1.00 14.42 H new ATOM 0 HE3 TRP A 93 -10.324 -1.036 8.251 1.00 64.03 H new ATOM 0 HZ2 TRP A 93 -8.713 2.463 5.088 1.00 24.00 H new ATOM 0 HZ3 TRP A 93 -11.907 0.224 6.843 1.00 21.02 H new ATOM 0 HH2 TRP A 93 -11.108 1.947 5.279 1.00 2.21 H new ATOM 1334 N VAL A 94 -5.991 -4.667 10.113 1.00 73.03 N ATOM 1335 CA VAL A 94 -6.091 -5.681 11.153 1.00 1.01 C ATOM 1336 C VAL A 94 -5.985 -5.027 12.526 1.00 2.10 C ATOM 1337 O VAL A 94 -5.021 -4.315 12.812 1.00 42.44 O ATOM 1338 CB VAL A 94 -4.981 -6.754 11.025 1.00 64.32 C ATOM 1339 CG1 VAL A 94 -5.284 -7.971 11.900 1.00 71.42 C ATOM 1340 CG2 VAL A 94 -4.774 -7.157 9.568 1.00 72.51 C ATOM 0 H VAL A 94 -5.050 -4.525 9.745 1.00 73.03 H new ATOM 0 HA VAL A 94 -7.058 -6.171 11.036 1.00 1.01 H new ATOM 0 HB VAL A 94 -4.050 -6.315 11.384 1.00 64.32 H new ATOM 0 HG11 VAL A 94 -4.487 -8.707 11.789 1.00 71.42 H new ATOM 0 HG12 VAL A 94 -5.349 -7.662 12.943 1.00 71.42 H new ATOM 0 HG13 VAL A 94 -6.232 -8.413 11.593 1.00 71.42 H new ATOM 0 HG21 VAL A 94 -3.989 -7.911 9.507 1.00 72.51 H new ATOM 0 HG22 VAL A 94 -5.702 -7.566 9.168 1.00 72.51 H new ATOM 0 HG23 VAL A 94 -4.482 -6.282 8.986 1.00 72.51 H new ATOM 1350 N TRP A 95 -6.990 -5.258 13.357 1.00 41.21 N ATOM 1351 CA TRP A 95 -6.984 -4.802 14.743 1.00 63.33 C ATOM 1352 C TRP A 95 -6.898 -6.008 15.673 1.00 14.50 C ATOM 1353 O TRP A 95 -6.278 -5.953 16.736 1.00 3.00 O ATOM 1354 CB TRP A 95 -8.264 -4.006 15.030 1.00 21.25 C ATOM 1355 CG TRP A 95 -8.563 -2.980 13.978 1.00 75.53 C ATOM 1356 CD1 TRP A 95 -7.847 -1.854 13.711 1.00 1.21 C ATOM 1357 CD2 TRP A 95 -9.655 -2.991 13.049 1.00 13.12 C ATOM 1358 NE1 TRP A 95 -8.429 -1.154 12.683 1.00 23.33 N ATOM 1359 CE2 TRP A 95 -9.540 -1.832 12.258 1.00 54.32 C ATOM 1360 CE3 TRP A 95 -10.719 -3.865 12.813 1.00 31.04 C ATOM 1361 CZ2 TRP A 95 -10.449 -1.527 11.248 1.00 71.15 C ATOM 1362 CZ3 TRP A 95 -11.619 -3.562 11.809 1.00 74.51 C ATOM 1363 CH2 TRP A 95 -11.480 -2.401 11.038 1.00 10.01 C ATOM 0 H TRP A 95 -7.834 -5.767 13.092 1.00 41.21 H new ATOM 0 HA TRP A 95 -6.121 -4.157 14.912 1.00 63.33 H new ATOM 0 HB2 TRP A 95 -9.105 -4.695 15.107 1.00 21.25 H new ATOM 0 HB3 TRP A 95 -8.169 -3.511 15.996 1.00 21.25 H new ATOM 0 HD1 TRP A 95 -6.950 -1.554 14.233 1.00 1.21 H new ATOM 0 HE1 TRP A 95 -8.089 -0.272 12.299 1.00 23.33 H new ATOM 0 HE3 TRP A 95 -10.836 -4.761 13.404 1.00 31.04 H new ATOM 0 HZ2 TRP A 95 -10.344 -0.633 10.652 1.00 71.15 H new ATOM 0 HZ3 TRP A 95 -12.444 -4.232 11.616 1.00 74.51 H new ATOM 0 HH2 TRP A 95 -12.201 -2.192 10.262 1.00 10.01 H new ATOM 1374 N ASN A 96 -7.495 -7.102 15.209 1.00 61.11 N ATOM 1375 CA ASN A 96 -7.653 -8.350 15.967 1.00 71.14 C ATOM 1376 C ASN A 96 -8.380 -9.385 15.098 1.00 23.10 C ATOM 1377 O ASN A 96 -7.954 -10.536 15.027 1.00 51.35 O ATOM 1378 CB ASN A 96 -8.427 -8.152 17.295 1.00 52.43 C ATOM 1379 CG ASN A 96 -7.546 -7.786 18.484 1.00 21.12 C ATOM 1380 OD1 ASN A 96 -6.334 -8.325 18.537 1.00 32.45 O flip ATOM 1381 ND2 ASN A 96 -7.965 -7.039 19.369 1.00 22.04 N flip ATOM 0 H ASN A 96 -7.894 -7.152 14.272 1.00 61.11 H new ATOM 0 HA ASN A 96 -6.654 -8.700 16.227 1.00 71.14 H new ATOM 0 HB2 ASN A 96 -9.172 -7.369 17.155 1.00 52.43 H new ATOM 0 HB3 ASN A 96 -8.968 -9.069 17.527 1.00 52.43 H new ATOM 0 HD21 ASN A 96 -8.901 -6.641 19.299 1.00 22.04 H new ATOM 0 HD22 ASN A 96 -7.376 -6.819 20.172 1.00 22.04 H new ATOM 1388 N PRO A 97 -9.506 -9.001 14.434 1.00 44.04 N ATOM 1389 CA PRO A 97 -10.209 -9.894 13.501 1.00 33.42 C ATOM 1390 C PRO A 97 -9.360 -10.204 12.269 1.00 2.22 C ATOM 1391 O PRO A 97 -8.483 -9.415 11.901 1.00 25.40 O ATOM 1392 CB PRO A 97 -11.474 -9.104 13.104 1.00 52.32 C ATOM 1393 CG PRO A 97 -11.603 -8.032 14.135 1.00 1.54 C ATOM 1394 CD PRO A 97 -10.201 -7.702 14.552 1.00 10.04 C ATOM 0 HA PRO A 97 -10.435 -10.860 13.953 1.00 33.42 H new ATOM 0 HB2 PRO A 97 -11.376 -8.680 12.105 1.00 52.32 H new ATOM 0 HB3 PRO A 97 -12.353 -9.748 13.093 1.00 52.32 H new ATOM 0 HG2 PRO A 97 -12.107 -7.156 13.728 1.00 1.54 H new ATOM 0 HG3 PRO A 97 -12.194 -8.374 14.984 1.00 1.54 H new ATOM 0 HD2 PRO A 97 -9.755 -6.945 13.906 1.00 10.04 H new ATOM 0 HD3 PRO A 97 -10.163 -7.315 15.570 1.00 10.04 H new ATOM 1402 N PRO A 98 -9.600 -11.359 11.619 1.00 44.23 N ATOM 1403 CA PRO A 98 -8.871 -11.746 10.409 1.00 50.35 C ATOM 1404 C PRO A 98 -9.371 -10.996 9.172 1.00 44.43 C ATOM 1405 O PRO A 98 -10.255 -10.140 9.266 1.00 3.31 O ATOM 1406 CB PRO A 98 -9.164 -13.245 10.298 1.00 52.43 C ATOM 1407 CG PRO A 98 -10.524 -13.397 10.893 1.00 23.00 C ATOM 1408 CD PRO A 98 -10.601 -12.380 12.007 1.00 1.22 C ATOM 0 HA PRO A 98 -7.808 -11.511 10.466 1.00 50.35 H new ATOM 0 HB2 PRO A 98 -9.144 -13.579 9.261 1.00 52.43 H new ATOM 0 HB3 PRO A 98 -8.425 -13.836 10.838 1.00 52.43 H new ATOM 0 HG2 PRO A 98 -11.299 -13.220 10.147 1.00 23.00 H new ATOM 0 HG3 PRO A 98 -10.673 -14.407 11.274 1.00 23.00 H new ATOM 0 HD2 PRO A 98 -11.600 -11.951 12.089 1.00 1.22 H new ATOM 0 HD3 PRO A 98 -10.365 -12.826 12.973 1.00 1.22 H new ATOM 1416 N TRP A 99 -8.812 -11.336 8.018 1.00 41.24 N ATOM 1417 CA TRP A 99 -9.163 -10.677 6.766 1.00 12.24 C ATOM 1418 C TRP A 99 -10.475 -11.236 6.224 1.00 31.44 C ATOM 1419 O TRP A 99 -10.768 -12.422 6.393 1.00 33.25 O ATOM 1420 CB TRP A 99 -8.038 -10.867 5.745 1.00 72.21 C ATOM 1421 CG TRP A 99 -6.688 -10.491 6.288 1.00 32.42 C ATOM 1422 CD1 TRP A 99 -6.326 -9.287 6.824 1.00 41.10 C ATOM 1423 CD2 TRP A 99 -5.522 -11.320 6.343 1.00 72.31 C ATOM 1424 NE1 TRP A 99 -5.012 -9.322 7.216 1.00 61.52 N ATOM 1425 CE2 TRP A 99 -4.496 -10.558 6.931 1.00 50.11 C ATOM 1426 CE3 TRP A 99 -5.246 -12.633 5.955 1.00 70.30 C ATOM 1427 CZ2 TRP A 99 -3.217 -11.063 7.139 1.00 63.12 C ATOM 1428 CZ3 TRP A 99 -3.977 -13.136 6.161 1.00 51.34 C ATOM 1429 CH2 TRP A 99 -2.975 -12.352 6.751 1.00 72.01 C ATOM 0 H TRP A 99 -8.109 -12.069 7.923 1.00 41.24 H new ATOM 0 HA TRP A 99 -9.294 -9.611 6.951 1.00 12.24 H new ATOM 0 HB2 TRP A 99 -8.018 -11.908 5.423 1.00 72.21 H new ATOM 0 HB3 TRP A 99 -8.250 -10.264 4.862 1.00 72.21 H new ATOM 0 HD1 TRP A 99 -6.979 -8.433 6.924 1.00 41.10 H new ATOM 0 HE1 TRP A 99 -4.502 -8.552 7.649 1.00 61.52 H new ATOM 0 HE3 TRP A 99 -6.012 -13.244 5.502 1.00 70.30 H new ATOM 0 HZ2 TRP A 99 -2.443 -10.460 7.590 1.00 63.12 H new ATOM 0 HZ3 TRP A 99 -3.752 -14.149 5.863 1.00 51.34 H new ATOM 0 HH2 TRP A 99 -1.993 -12.775 6.902 1.00 72.01 H new ATOM 1440 N GLY A 100 -11.265 -10.380 5.586 1.00 22.32 N ATOM 1441 CA GLY A 100 -12.543 -10.805 5.046 1.00 11.45 C ATOM 1442 C GLY A 100 -13.288 -9.669 4.375 1.00 71.10 C ATOM 1443 O GLY A 100 -12.857 -9.186 3.328 1.00 64.24 O ATOM 0 H GLY A 100 -11.042 -9.396 5.433 1.00 22.32 H new ATOM 0 HA2 GLY A 100 -12.382 -11.607 4.326 1.00 11.45 H new ATOM 0 HA3 GLY A 100 -13.156 -11.215 5.848 1.00 11.45 H new ATOM 1447 N PRO A 101 -14.409 -9.200 4.964 1.00 24.34 N ATOM 1448 CA PRO A 101 -15.227 -8.131 4.371 1.00 30.02 C ATOM 1449 C PRO A 101 -14.448 -6.824 4.222 1.00 12.22 C ATOM 1450 O PRO A 101 -14.637 -6.077 3.259 1.00 5.32 O ATOM 1451 CB PRO A 101 -16.391 -7.969 5.365 1.00 13.02 C ATOM 1452 CG PRO A 101 -15.894 -8.553 6.647 1.00 22.21 C ATOM 1453 CD PRO A 101 -14.965 -9.669 6.252 1.00 64.12 C ATOM 0 HA PRO A 101 -15.555 -8.379 3.362 1.00 30.02 H new ATOM 0 HB2 PRO A 101 -16.661 -6.920 5.488 1.00 13.02 H new ATOM 0 HB3 PRO A 101 -17.283 -8.488 5.015 1.00 13.02 H new ATOM 0 HG2 PRO A 101 -15.374 -7.803 7.243 1.00 22.21 H new ATOM 0 HG3 PRO A 101 -16.719 -8.926 7.253 1.00 22.21 H new ATOM 0 HD2 PRO A 101 -14.184 -9.826 6.996 1.00 64.12 H new ATOM 0 HD3 PRO A 101 -15.495 -10.615 6.142 1.00 64.12 H new ATOM 1461 N ASP A 102 -13.544 -6.575 5.167 1.00 73.33 N ATOM 1462 CA ASP A 102 -12.748 -5.346 5.171 1.00 65.52 C ATOM 1463 C ASP A 102 -11.759 -5.337 4.001 1.00 2.51 C ATOM 1464 O ASP A 102 -11.035 -4.374 3.790 1.00 43.12 O ATOM 1465 CB ASP A 102 -12.018 -5.164 6.515 1.00 43.35 C ATOM 1466 CG ASP A 102 -11.594 -3.716 6.758 1.00 73.11 C ATOM 1467 OD1 ASP A 102 -10.386 -3.406 6.672 1.00 32.21 O ATOM 1468 OD2 ASP A 102 -12.483 -2.874 7.029 1.00 4.43 O ATOM 0 H ASP A 102 -13.343 -7.208 5.941 1.00 73.33 H new ATOM 0 HA ASP A 102 -13.427 -4.503 5.046 1.00 65.52 H new ATOM 0 HB2 ASP A 102 -12.670 -5.490 7.326 1.00 43.35 H new ATOM 0 HB3 ASP A 102 -11.137 -5.806 6.536 1.00 43.35 H new ATOM 1473 N LYS A 103 -11.711 -6.432 3.244 1.00 42.11 N ATOM 1474 CA LYS A 103 -10.917 -6.469 2.018 1.00 13.41 C ATOM 1475 C LYS A 103 -11.700 -5.839 0.858 1.00 11.51 C ATOM 1476 O LYS A 103 -11.258 -5.878 -0.281 1.00 44.21 O ATOM 1477 CB LYS A 103 -10.501 -7.911 1.667 1.00 24.43 C ATOM 1478 CG LYS A 103 -9.618 -8.580 2.722 1.00 33.24 C ATOM 1479 CD LYS A 103 -9.232 -10.010 2.332 1.00 62.45 C ATOM 1480 CE LYS A 103 -8.228 -10.054 1.180 1.00 53.03 C ATOM 1481 NZ LYS A 103 -6.870 -9.597 1.590 1.00 65.10 N ATOM 0 H LYS A 103 -12.208 -7.297 3.455 1.00 42.11 H new ATOM 0 HA LYS A 103 -10.009 -5.890 2.185 1.00 13.41 H new ATOM 0 HB2 LYS A 103 -11.399 -8.513 1.525 1.00 24.43 H new ATOM 0 HB3 LYS A 103 -9.969 -7.903 0.715 1.00 24.43 H new ATOM 0 HG2 LYS A 103 -8.714 -7.988 2.865 1.00 33.24 H new ATOM 0 HG3 LYS A 103 -10.144 -8.595 3.677 1.00 33.24 H new ATOM 0 HD2 LYS A 103 -8.808 -10.517 3.199 1.00 62.45 H new ATOM 0 HD3 LYS A 103 -10.129 -10.560 2.048 1.00 62.45 H new ATOM 0 HE2 LYS A 103 -8.165 -11.072 0.796 1.00 53.03 H new ATOM 0 HE3 LYS A 103 -8.588 -9.427 0.364 1.00 53.03 H new ATOM 0 HZ1 LYS A 103 -6.253 -9.548 0.754 1.00 65.10 H new ATOM 0 HZ2 LYS A 103 -6.938 -8.655 2.026 1.00 65.10 H new ATOM 0 HZ3 LYS A 103 -6.470 -10.268 2.277 1.00 65.10 H new ATOM 1495 N ILE A 104 -12.869 -5.262 1.149 1.00 63.45 N ATOM 1496 CA ILE A 104 -13.664 -4.560 0.135 1.00 14.01 C ATOM 1497 C ILE A 104 -13.870 -3.099 0.539 1.00 13.24 C ATOM 1498 O ILE A 104 -14.234 -2.818 1.684 1.00 41.51 O ATOM 1499 CB ILE A 104 -15.046 -5.238 -0.066 1.00 0.23 C ATOM 1500 CG1 ILE A 104 -14.866 -6.715 -0.459 1.00 64.43 C ATOM 1501 CG2 ILE A 104 -15.868 -4.492 -1.122 1.00 35.03 C ATOM 1502 CD1 ILE A 104 -16.168 -7.473 -0.625 1.00 30.55 C ATOM 0 H ILE A 104 -13.287 -5.267 2.079 1.00 63.45 H new ATOM 0 HA ILE A 104 -13.114 -4.605 -0.805 1.00 14.01 H new ATOM 0 HB ILE A 104 -15.591 -5.196 0.877 1.00 0.23 H new ATOM 0 HG12 ILE A 104 -14.306 -6.766 -1.393 1.00 64.43 H new ATOM 0 HG13 ILE A 104 -14.263 -7.212 0.301 1.00 64.43 H new ATOM 0 HG21 ILE A 104 -16.833 -4.984 -1.247 1.00 35.03 H new ATOM 0 HG22 ILE A 104 -16.025 -3.462 -0.800 1.00 35.03 H new ATOM 0 HG23 ILE A 104 -15.332 -4.498 -2.071 1.00 35.03 H new ATOM 0 HD11 ILE A 104 -15.955 -8.506 -0.902 1.00 30.55 H new ATOM 0 HD12 ILE A 104 -16.721 -7.456 0.314 1.00 30.55 H new ATOM 0 HD13 ILE A 104 -16.765 -7.003 -1.407 1.00 30.55 H new ATOM 1514 N THR A 105 -13.592 -2.163 -0.380 1.00 40.33 N ATOM 1515 CA THR A 105 -13.811 -0.741 -0.116 1.00 32.42 C ATOM 1516 C THR A 105 -15.248 -0.473 0.342 1.00 61.52 C ATOM 1517 O THR A 105 -16.186 -1.179 -0.053 1.00 65.23 O ATOM 1518 CB THR A 105 -13.505 0.121 -1.370 1.00 10.22 C ATOM 1519 OG1 THR A 105 -14.085 -0.480 -2.535 1.00 54.12 O ATOM 1520 CG2 THR A 105 -12.004 0.295 -1.578 1.00 40.51 C ATOM 0 H THR A 105 -13.217 -2.367 -1.306 1.00 40.33 H new ATOM 0 HA THR A 105 -13.125 -0.461 0.684 1.00 32.42 H new ATOM 0 HB THR A 105 -13.943 1.106 -1.208 1.00 10.22 H new ATOM 0 HG1 THR A 105 -13.888 0.072 -3.320 1.00 54.12 H new ATOM 0 HG21 THR A 105 -11.828 0.904 -2.465 1.00 40.51 H new ATOM 0 HG22 THR A 105 -11.571 0.788 -0.708 1.00 40.51 H new ATOM 0 HG23 THR A 105 -11.539 -0.682 -1.710 1.00 40.51 H new ATOM 1528 N GLU A 106 -15.414 0.562 1.155 1.00 14.12 N ATOM 1529 CA GLU A 106 -16.720 0.923 1.685 1.00 10.22 C ATOM 1530 C GLU A 106 -17.581 1.524 0.580 1.00 12.24 C ATOM 1531 O GLU A 106 -18.769 1.225 0.469 1.00 30.33 O ATOM 1532 CB GLU A 106 -16.573 1.913 2.846 1.00 1.52 C ATOM 1533 CG GLU A 106 -17.811 2.013 3.731 1.00 2.12 C ATOM 1534 CD GLU A 106 -18.080 0.732 4.505 1.00 15.24 C ATOM 1535 OE1 GLU A 106 -17.593 0.608 5.649 1.00 61.32 O ATOM 1536 OE2 GLU A 106 -18.777 -0.161 3.977 1.00 10.32 O ATOM 0 H GLU A 106 -14.654 1.169 1.463 1.00 14.12 H new ATOM 0 HA GLU A 106 -17.207 0.024 2.062 1.00 10.22 H new ATOM 0 HB2 GLU A 106 -15.723 1.615 3.459 1.00 1.52 H new ATOM 0 HB3 GLU A 106 -16.345 2.900 2.443 1.00 1.52 H new ATOM 0 HG2 GLU A 106 -17.686 2.838 4.433 1.00 2.12 H new ATOM 0 HG3 GLU A 106 -18.677 2.249 3.113 1.00 2.12 H new ATOM 1543 N ASP A 107 -16.952 2.359 -0.246 1.00 40.20 N ATOM 1544 CA ASP A 107 -17.637 3.020 -1.355 1.00 41.34 C ATOM 1545 C ASP A 107 -18.269 1.991 -2.284 1.00 12.31 C ATOM 1546 O ASP A 107 -19.422 2.129 -2.690 1.00 21.00 O ATOM 1547 CB ASP A 107 -16.660 3.900 -2.148 1.00 61.24 C ATOM 1548 CG ASP A 107 -16.101 5.055 -1.333 1.00 74.33 C ATOM 1549 OD1 ASP A 107 -15.108 4.848 -0.606 1.00 33.14 O ATOM 1550 OD2 ASP A 107 -16.637 6.180 -1.427 1.00 24.31 O ATOM 0 H ASP A 107 -15.963 2.595 -0.167 1.00 40.20 H new ATOM 0 HA ASP A 107 -18.422 3.651 -0.937 1.00 41.34 H new ATOM 0 HB2 ASP A 107 -15.835 3.284 -2.507 1.00 61.24 H new ATOM 0 HB3 ASP A 107 -17.169 4.296 -3.027 1.00 61.24 H new ATOM 1555 N GLY A 108 -17.506 0.953 -2.607 1.00 74.11 N ATOM 1556 CA GLY A 108 -18.009 -0.100 -3.468 1.00 54.44 C ATOM 1557 C GLY A 108 -19.178 -0.836 -2.840 1.00 11.51 C ATOM 1558 O GLY A 108 -20.210 -1.038 -3.478 1.00 5.40 O ATOM 0 H GLY A 108 -16.546 0.822 -2.287 1.00 74.11 H new ATOM 0 HA2 GLY A 108 -18.320 0.328 -4.421 1.00 54.44 H new ATOM 0 HA3 GLY A 108 -17.208 -0.807 -3.682 1.00 54.44 H new ATOM 1562 N ARG A 109 -19.013 -1.207 -1.574 1.00 0.20 N ATOM 1563 CA ARG A 109 -20.024 -1.967 -0.835 1.00 65.24 C ATOM 1564 C ARG A 109 -21.305 -1.143 -0.662 1.00 15.53 C ATOM 1565 O ARG A 109 -22.414 -1.677 -0.717 1.00 64.31 O ATOM 1566 CB ARG A 109 -19.437 -2.384 0.534 1.00 14.40 C ATOM 1567 CG ARG A 109 -20.275 -3.383 1.347 1.00 52.14 C ATOM 1568 CD ARG A 109 -21.462 -2.729 2.052 1.00 20.14 C ATOM 1569 NE ARG A 109 -21.055 -1.584 2.875 1.00 4.31 N ATOM 1570 CZ ARG A 109 -21.908 -0.745 3.469 1.00 64.42 C ATOM 1571 NH1 ARG A 109 -23.217 -0.939 3.383 1.00 22.45 N ATOM 1572 NH2 ARG A 109 -21.439 0.282 4.156 1.00 35.31 N ATOM 0 H ARG A 109 -18.178 -0.991 -1.030 1.00 0.20 H new ATOM 0 HA ARG A 109 -20.290 -2.862 -1.397 1.00 65.24 H new ATOM 0 HB2 ARG A 109 -18.451 -2.817 0.368 1.00 14.40 H new ATOM 0 HB3 ARG A 109 -19.294 -1.486 1.135 1.00 14.40 H new ATOM 0 HG2 ARG A 109 -20.640 -4.167 0.684 1.00 52.14 H new ATOM 0 HG3 ARG A 109 -19.638 -3.864 2.089 1.00 52.14 H new ATOM 0 HD2 ARG A 109 -22.188 -2.400 1.308 1.00 20.14 H new ATOM 0 HD3 ARG A 109 -21.961 -3.467 2.680 1.00 20.14 H new ATOM 0 HE ARG A 109 -20.057 -1.418 3.002 1.00 4.31 H new ATOM 0 HH11 ARG A 109 -23.581 -1.735 2.859 1.00 22.45 H new ATOM 0 HH12 ARG A 109 -23.860 -0.292 3.840 1.00 22.45 H new ATOM 0 HH21 ARG A 109 -20.432 0.429 4.230 1.00 35.31 H new ATOM 0 HH22 ARG A 109 -22.084 0.927 4.613 1.00 35.31 H new ATOM 1586 N GLU A 110 -21.144 0.157 -0.447 1.00 41.13 N ATOM 1587 CA GLU A 110 -22.272 1.042 -0.165 1.00 3.14 C ATOM 1588 C GLU A 110 -22.979 1.499 -1.440 1.00 62.50 C ATOM 1589 O GLU A 110 -24.209 1.534 -1.497 1.00 34.43 O ATOM 1590 CB GLU A 110 -21.801 2.258 0.644 1.00 51.55 C ATOM 1591 CG GLU A 110 -22.932 3.186 1.080 1.00 14.13 C ATOM 1592 CD GLU A 110 -22.454 4.322 1.970 1.00 33.14 C ATOM 1593 OE1 GLU A 110 -22.406 4.140 3.206 1.00 71.12 O ATOM 1594 OE2 GLU A 110 -22.135 5.406 1.442 1.00 23.43 O ATOM 0 H GLU A 110 -20.238 0.626 -0.462 1.00 41.13 H new ATOM 0 HA GLU A 110 -22.994 0.473 0.421 1.00 3.14 H new ATOM 0 HB2 GLU A 110 -21.269 1.909 1.529 1.00 51.55 H new ATOM 0 HB3 GLU A 110 -21.088 2.826 0.046 1.00 51.55 H new ATOM 0 HG2 GLU A 110 -23.415 3.602 0.196 1.00 14.13 H new ATOM 0 HG3 GLU A 110 -23.686 2.606 1.612 1.00 14.13 H new ATOM 1601 N GLN A 111 -22.207 1.840 -2.462 1.00 13.50 N ATOM 1602 CA GLN A 111 -22.758 2.527 -3.629 1.00 42.12 C ATOM 1603 C GLN A 111 -22.917 1.605 -4.838 1.00 42.51 C ATOM 1604 O GLN A 111 -23.792 1.829 -5.677 1.00 24.12 O ATOM 1605 CB GLN A 111 -21.863 3.713 -3.987 1.00 12.12 C ATOM 1606 CG GLN A 111 -21.597 4.638 -2.808 1.00 41.03 C ATOM 1607 CD GLN A 111 -20.895 5.919 -3.222 1.00 43.14 C ATOM 1608 OE1 GLN A 111 -19.668 5.999 -3.210 1.00 33.31 O ATOM 1609 NE2 GLN A 111 -21.665 6.923 -3.611 1.00 40.54 N ATOM 0 H GLN A 111 -21.205 1.656 -2.511 1.00 13.50 H new ATOM 0 HA GLN A 111 -23.757 2.873 -3.365 1.00 42.12 H new ATOM 0 HB2 GLN A 111 -20.913 3.341 -4.371 1.00 12.12 H new ATOM 0 HB3 GLN A 111 -22.330 4.283 -4.790 1.00 12.12 H new ATOM 0 HG2 GLN A 111 -22.542 4.885 -2.324 1.00 41.03 H new ATOM 0 HG3 GLN A 111 -20.988 4.116 -2.070 1.00 41.03 H new ATOM 0 HE21 GLN A 111 -22.680 6.819 -3.607 1.00 40.54 H new ATOM 0 HE22 GLN A 111 -21.244 7.801 -3.915 1.00 40.54 H new ATOM 1618 N LEU A 112 -22.079 0.576 -4.921 1.00 44.35 N ATOM 1619 CA LEU A 112 -22.065 -0.336 -6.068 1.00 71.01 C ATOM 1620 C LEU A 112 -21.917 0.447 -7.385 1.00 55.44 C ATOM 1621 O LEU A 112 -20.813 0.855 -7.749 1.00 43.51 O ATOM 1622 CB LEU A 112 -23.325 -1.231 -6.106 1.00 42.44 C ATOM 1623 CG LEU A 112 -23.456 -2.283 -4.983 1.00 34.31 C ATOM 1624 CD1 LEU A 112 -22.227 -3.189 -4.933 1.00 71.44 C ATOM 1625 CD2 LEU A 112 -23.700 -1.617 -3.630 1.00 33.15 C ATOM 0 H LEU A 112 -21.393 0.349 -4.201 1.00 44.35 H new ATOM 0 HA LEU A 112 -21.201 -0.991 -5.952 1.00 71.01 H new ATOM 0 HB2 LEU A 112 -24.203 -0.586 -6.073 1.00 42.44 H new ATOM 0 HB3 LEU A 112 -23.346 -1.750 -7.064 1.00 42.44 H new ATOM 0 HG LEU A 112 -24.322 -2.905 -5.210 1.00 34.31 H new ATOM 0 HD11 LEU A 112 -22.346 -3.920 -4.133 1.00 71.44 H new ATOM 0 HD12 LEU A 112 -22.118 -3.708 -5.886 1.00 71.44 H new ATOM 0 HD13 LEU A 112 -21.338 -2.587 -4.744 1.00 71.44 H new ATOM 0 HD21 LEU A 112 -23.788 -2.382 -2.859 1.00 33.15 H new ATOM 0 HD22 LEU A 112 -22.865 -0.957 -3.393 1.00 33.15 H new ATOM 0 HD23 LEU A 112 -24.621 -1.036 -3.671 1.00 33.15 H new ATOM 1637 N ARG A 113 -23.035 0.679 -8.075 1.00 51.33 N ATOM 1638 CA ARG A 113 -23.027 1.395 -9.352 1.00 62.54 C ATOM 1639 C ARG A 113 -22.723 2.877 -9.145 1.00 51.41 C ATOM 1640 O ARG A 113 -22.016 3.495 -9.941 1.00 43.50 O ATOM 1641 CB ARG A 113 -24.378 1.234 -10.063 1.00 52.14 C ATOM 1642 CG ARG A 113 -24.428 1.897 -11.436 1.00 15.54 C ATOM 1643 CD ARG A 113 -25.791 1.732 -12.099 1.00 65.22 C ATOM 1644 NE ARG A 113 -26.862 2.396 -11.348 1.00 11.10 N ATOM 1645 CZ ARG A 113 -28.157 2.323 -11.663 1.00 30.12 C ATOM 1646 NH1 ARG A 113 -28.550 1.599 -12.706 1.00 11.25 N ATOM 1647 NH2 ARG A 113 -29.057 2.968 -10.931 1.00 14.32 N ATOM 0 H ARG A 113 -23.961 0.380 -7.769 1.00 51.33 H new ATOM 0 HA ARG A 113 -22.243 0.965 -9.974 1.00 62.54 H new ATOM 0 HB2 ARG A 113 -24.597 0.172 -10.173 1.00 52.14 H new ATOM 0 HB3 ARG A 113 -25.162 1.657 -9.435 1.00 52.14 H new ATOM 0 HG2 ARG A 113 -24.200 2.958 -11.335 1.00 15.54 H new ATOM 0 HG3 ARG A 113 -23.659 1.465 -12.076 1.00 15.54 H new ATOM 0 HD2 ARG A 113 -25.752 2.140 -13.109 1.00 65.22 H new ATOM 0 HD3 ARG A 113 -26.021 0.671 -12.192 1.00 65.22 H new ATOM 0 HE ARG A 113 -26.600 2.949 -10.532 1.00 11.10 H new ATOM 0 HH11 ARG A 113 -27.861 1.098 -13.267 1.00 11.25 H new ATOM 0 HH12 ARG A 113 -29.540 1.545 -12.945 1.00 11.25 H new ATOM 0 HH21 ARG A 113 -28.759 3.520 -10.127 1.00 14.32 H new ATOM 0 HH22 ARG A 113 -30.046 2.911 -11.173 1.00 14.32 H new ATOM 1661 N ALA A 114 -23.249 3.433 -8.055 1.00 73.31 N ATOM 1662 CA ALA A 114 -23.119 4.862 -7.757 1.00 3.30 C ATOM 1663 C ALA A 114 -21.663 5.263 -7.506 1.00 71.51 C ATOM 1664 O ALA A 114 -21.353 6.444 -7.351 1.00 21.51 O ATOM 1665 CB ALA A 114 -23.992 5.232 -6.564 1.00 63.03 C ATOM 0 H ALA A 114 -23.775 2.910 -7.355 1.00 73.31 H new ATOM 0 HA ALA A 114 -23.460 5.416 -8.632 1.00 3.30 H new ATOM 0 HB1 ALA A 114 -23.887 6.296 -6.352 1.00 63.03 H new ATOM 0 HB2 ALA A 114 -25.034 5.009 -6.793 1.00 63.03 H new ATOM 0 HB3 ALA A 114 -23.680 4.656 -5.693 1.00 63.03 H new ATOM 1671 N LEU A 115 -20.776 4.275 -7.436 1.00 4.23 N ATOM 1672 CA LEU A 115 -19.349 4.531 -7.274 1.00 13.05 C ATOM 1673 C LEU A 115 -18.763 5.093 -8.571 1.00 34.43 C ATOM 1674 O LEU A 115 -17.807 5.876 -8.549 1.00 22.54 O ATOM 1675 CB LEU A 115 -18.620 3.240 -6.865 1.00 63.42 C ATOM 1676 CG LEU A 115 -17.093 3.362 -6.691 1.00 23.32 C ATOM 1677 CD1 LEU A 115 -16.749 4.421 -5.646 1.00 62.41 C ATOM 1678 CD2 LEU A 115 -16.484 2.011 -6.316 1.00 23.03 C ATOM 0 H LEU A 115 -21.022 3.286 -7.489 1.00 4.23 H new ATOM 0 HA LEU A 115 -19.211 5.269 -6.484 1.00 13.05 H new ATOM 0 HB2 LEU A 115 -19.047 2.885 -5.927 1.00 63.42 H new ATOM 0 HB3 LEU A 115 -18.822 2.477 -7.616 1.00 63.42 H new ATOM 0 HG LEU A 115 -16.665 3.676 -7.643 1.00 23.32 H new ATOM 0 HD11 LEU A 115 -15.666 4.489 -5.540 1.00 62.41 H new ATOM 0 HD12 LEU A 115 -17.144 5.386 -5.962 1.00 62.41 H new ATOM 0 HD13 LEU A 115 -17.190 4.144 -4.689 1.00 62.41 H new ATOM 0 HD21 LEU A 115 -15.406 2.118 -6.198 1.00 23.03 H new ATOM 0 HD22 LEU A 115 -16.919 1.663 -5.379 1.00 23.03 H new ATOM 0 HD23 LEU A 115 -16.692 1.287 -7.104 1.00 23.03 H new ATOM 1690 N GLY A 116 -19.360 4.701 -9.693 1.00 74.00 N ATOM 1691 CA GLY A 116 -18.895 5.148 -10.992 1.00 31.55 C ATOM 1692 C GLY A 116 -19.462 6.500 -11.368 1.00 74.42 C ATOM 1693 O GLY A 116 -20.681 6.676 -11.413 1.00 10.13 O ATOM 0 H GLY A 116 -20.165 4.076 -9.724 1.00 74.00 H new ATOM 0 HA2 GLY A 116 -17.806 5.201 -10.988 1.00 31.55 H new ATOM 0 HA3 GLY A 116 -19.176 4.415 -11.748 1.00 31.55 H new ATOM 1697 N PHE A 117 -18.578 7.457 -11.632 1.00 54.45 N ATOM 1698 CA PHE A 117 -18.985 8.801 -12.022 1.00 52.34 C ATOM 1699 C PHE A 117 -19.706 8.766 -13.370 1.00 12.45 C ATOM 1700 O PHE A 117 -19.170 8.250 -14.353 1.00 61.13 O ATOM 1701 CB PHE A 117 -17.756 9.724 -12.093 1.00 42.42 C ATOM 1702 CG PHE A 117 -18.057 11.118 -12.593 1.00 61.24 C ATOM 1703 CD1 PHE A 117 -17.716 11.500 -13.885 1.00 51.32 C ATOM 1704 CD2 PHE A 117 -18.685 12.045 -11.772 1.00 35.55 C ATOM 1705 CE1 PHE A 117 -17.994 12.773 -14.344 1.00 72.13 C ATOM 1706 CE2 PHE A 117 -18.964 13.320 -12.228 1.00 63.41 C ATOM 1707 CZ PHE A 117 -18.619 13.684 -13.515 1.00 72.21 C ATOM 0 H PHE A 117 -17.568 7.324 -11.582 1.00 54.45 H new ATOM 0 HA PHE A 117 -19.673 9.193 -11.273 1.00 52.34 H new ATOM 0 HB2 PHE A 117 -17.310 9.794 -11.101 1.00 42.42 H new ATOM 0 HB3 PHE A 117 -17.011 9.269 -12.746 1.00 42.42 H new ATOM 0 HD1 PHE A 117 -17.227 10.793 -14.539 1.00 51.32 H new ATOM 0 HD2 PHE A 117 -18.959 11.767 -10.765 1.00 35.55 H new ATOM 0 HE1 PHE A 117 -17.723 13.056 -15.350 1.00 72.13 H new ATOM 0 HE2 PHE A 117 -19.452 14.031 -11.578 1.00 63.41 H new ATOM 0 HZ PHE A 117 -18.838 14.679 -13.873 1.00 72.21 H new ATOM 1717 N THR A 118 -20.920 9.302 -13.405 1.00 10.13 N ATOM 1718 CA THR A 118 -21.698 9.372 -14.633 1.00 64.12 C ATOM 1719 C THR A 118 -21.014 10.301 -15.640 1.00 15.24 C ATOM 1720 O THR A 118 -21.268 11.507 -15.665 1.00 31.34 O ATOM 1721 CB THR A 118 -23.139 9.866 -14.352 1.00 63.34 C ATOM 1722 OG1 THR A 118 -23.694 9.132 -13.249 1.00 61.11 O ATOM 1723 CG2 THR A 118 -24.033 9.700 -15.580 1.00 4.12 C ATOM 0 H THR A 118 -21.389 9.697 -12.590 1.00 10.13 H new ATOM 0 HA THR A 118 -21.756 8.368 -15.054 1.00 64.12 H new ATOM 0 HB THR A 118 -23.092 10.927 -14.106 1.00 63.34 H new ATOM 0 HG1 THR A 118 -24.605 9.447 -13.072 1.00 61.11 H new ATOM 0 HG21 THR A 118 -25.037 10.056 -15.350 1.00 4.12 H new ATOM 0 HG22 THR A 118 -23.624 10.278 -16.409 1.00 4.12 H new ATOM 0 HG23 THR A 118 -24.076 8.647 -15.859 1.00 4.12 H new ATOM 1731 N VAL A 119 -20.106 9.732 -16.425 1.00 40.54 N ATOM 1732 CA VAL A 119 -19.350 10.493 -17.411 1.00 64.44 C ATOM 1733 C VAL A 119 -20.274 11.065 -18.491 1.00 41.24 C ATOM 1734 O VAL A 119 -20.181 12.277 -18.773 1.00 75.02 O ATOM 1735 CB VAL A 119 -18.220 9.642 -18.054 1.00 22.42 C ATOM 1736 CG1 VAL A 119 -17.142 9.312 -17.020 1.00 34.04 C ATOM 1737 CG2 VAL A 119 -18.773 8.360 -18.680 1.00 14.10 C ATOM 1738 OXT VAL A 119 -21.117 10.309 -19.028 1.00 0.00 O ATOM 0 H VAL A 119 -19.875 8.739 -16.396 1.00 40.54 H new ATOM 0 HA VAL A 119 -18.880 11.323 -16.884 1.00 64.44 H new ATOM 0 HB VAL A 119 -17.770 10.234 -18.851 1.00 22.42 H new ATOM 0 HG11 VAL A 119 -16.359 8.716 -17.488 1.00 34.04 H new ATOM 0 HG12 VAL A 119 -16.712 10.237 -16.635 1.00 34.04 H new ATOM 0 HG13 VAL A 119 -17.585 8.748 -16.199 1.00 34.04 H new ATOM 0 HG21 VAL A 119 -17.956 7.789 -19.121 1.00 14.10 H new ATOM 0 HG22 VAL A 119 -19.262 7.761 -17.911 1.00 14.10 H new ATOM 0 HG23 VAL A 119 -19.496 8.616 -19.455 1.00 14.10 H new TER 1748 VAL A 119