USER MOD reduce.3.24.130724 H: found=0, std=0, add=700, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 703 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 87 LYS NZ :NH3+ -123:sc= 0.583 (180deg=0) USER MOD Set 1.2: A 95 TYR OH : rot 180:sc= 0.535 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -163:sc= -1.31 (180deg=-2.14!) USER MOD Single : A 8 MET CE :methyl -177:sc= -1.14 (180deg=-1.18) USER MOD Single : A 9 SER OG : rot 90:sc= 0.436 USER MOD Single : A 46 SER OG : rot 30:sc= 0.12 USER MOD Single : A 55 LYS NZ :NH3+ -173:sc= 1.25 (180deg=1.17) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 170:sc= 0.73 (180deg=0.346) USER MOD Single : A 63 LYS NZ :NH3+ -178:sc= 0.827 (180deg=0.825) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl -107:sc= -2.15! (180deg=-3.71!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 3:sc= 0.804 USER MOD Single : A 82 SER OG : rot 180:sc= 0.268 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 148:sc= 1.3 (180deg=0.874) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 MET CE :methyl -158:sc= -0.191 (180deg=-0.841) USER MOD Single : A 106 ASN : amide:sc= -2.16! C(o=-2.2!,f=-9.5!) USER MOD Single : A 110 HIS : no HD1:sc= 0.00289 X(o=0.0029,f=-0.054) USER MOD Single : A 111 LYS NZ :NH3+ -127:sc= -0.0469 (180deg=-0.696) USER MOD Single : A 112 GLN :FLIP amide:sc= -0.309 F(o=-3.8!,f=-0.31) USER MOD Single : A 114 MET CE :methyl 160:sc= -0.184 (180deg=-0.783) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 ASN : amide:sc= 0.958 K(o=0.96,f=0) USER MOD Single : A 123 LYS NZ :NH3+ 166:sc= 1.25 (180deg=1.09) USER MOD ----------------------------------------------------------------- ATOM 20 N SER A 2 -21.617 -5.813 1.361 1.00 0.00 N ATOM 21 CA SER A 2 -20.779 -6.293 0.264 1.00 0.00 C ATOM 22 C SER A 2 -19.314 -6.212 0.679 1.00 0.00 C ATOM 23 O SER A 2 -18.642 -5.212 0.424 1.00 0.00 O ATOM 24 CB SER A 2 -20.997 -5.480 -1.026 1.00 0.00 C ATOM 25 OG SER A 2 -22.250 -5.765 -1.628 1.00 0.00 O ATOM 0 HA SER A 2 -21.058 -7.325 0.054 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.938 -4.416 -0.798 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.197 -5.700 -1.733 1.00 0.00 H new ATOM 0 HG SER A 2 -22.351 -5.229 -2.442 1.00 0.00 H new ATOM 31 N ILE A 3 -18.841 -7.255 1.352 1.00 0.00 N ATOM 32 CA ILE A 3 -17.491 -7.286 1.913 1.00 0.00 C ATOM 33 C ILE A 3 -16.410 -6.938 0.887 1.00 0.00 C ATOM 34 O ILE A 3 -15.479 -6.194 1.199 1.00 0.00 O ATOM 35 CB ILE A 3 -17.179 -8.659 2.536 1.00 0.00 C ATOM 36 CG1 ILE A 3 -18.205 -8.983 3.624 1.00 0.00 C ATOM 37 CG2 ILE A 3 -15.760 -8.692 3.091 1.00 0.00 C ATOM 38 CD1 ILE A 3 -17.838 -10.174 4.474 1.00 0.00 C ATOM 0 H ILE A 3 -19.380 -8.103 1.525 1.00 0.00 H new ATOM 0 HA ILE A 3 -17.474 -6.519 2.687 1.00 0.00 H new ATOM 0 HB ILE A 3 -17.246 -9.421 1.760 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -18.324 -8.112 4.268 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -19.172 -9.167 3.155 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -15.562 -9.672 3.526 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -15.050 -8.502 2.286 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -15.652 -7.926 3.858 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -18.613 -10.340 5.222 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -17.748 -11.058 3.842 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -16.887 -9.986 4.973 1.00 0.00 H new ATOM 50 N PHE A 4 -16.540 -7.451 -0.331 1.00 0.00 N ATOM 51 CA PHE A 4 -15.541 -7.201 -1.372 1.00 0.00 C ATOM 52 C PHE A 4 -15.406 -5.707 -1.672 1.00 0.00 C ATOM 53 O PHE A 4 -14.330 -5.236 -2.036 1.00 0.00 O ATOM 54 CB PHE A 4 -15.867 -7.989 -2.654 1.00 0.00 C ATOM 55 CG PHE A 4 -17.290 -7.861 -3.129 1.00 0.00 C ATOM 56 CD1 PHE A 4 -17.695 -6.775 -3.891 1.00 0.00 C ATOM 57 CD2 PHE A 4 -18.223 -8.836 -2.818 1.00 0.00 C ATOM 58 CE1 PHE A 4 -19.001 -6.664 -4.328 1.00 0.00 C ATOM 59 CE2 PHE A 4 -19.531 -8.731 -3.251 1.00 0.00 C ATOM 60 CZ PHE A 4 -19.921 -7.643 -4.007 1.00 0.00 C ATOM 0 H PHE A 4 -17.320 -8.039 -0.624 1.00 0.00 H new ATOM 0 HA PHE A 4 -14.581 -7.551 -0.993 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -15.202 -7.653 -3.449 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -15.650 -9.043 -2.481 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -16.980 -6.006 -4.146 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -17.924 -9.690 -2.229 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -19.302 -5.812 -4.920 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -20.247 -9.499 -2.999 1.00 0.00 H new ATOM 0 HZ PHE A 4 -20.943 -7.558 -4.346 1.00 0.00 H new ATOM 70 N GLY A 5 -16.488 -4.959 -1.486 1.00 0.00 N ATOM 71 CA GLY A 5 -16.454 -3.531 -1.733 1.00 0.00 C ATOM 72 C GLY A 5 -15.980 -2.757 -0.520 1.00 0.00 C ATOM 73 O GLY A 5 -15.646 -1.577 -0.614 1.00 0.00 O ATOM 0 H GLY A 5 -17.389 -5.317 -1.168 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -15.794 -3.324 -2.576 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -17.449 -3.188 -2.016 1.00 0.00 H new ATOM 77 N LYS A 6 -15.946 -3.428 0.623 1.00 0.00 N ATOM 78 CA LYS A 6 -15.511 -2.809 1.866 1.00 0.00 C ATOM 79 C LYS A 6 -13.999 -2.915 1.999 1.00 0.00 C ATOM 80 O LYS A 6 -13.316 -1.924 2.253 1.00 0.00 O ATOM 81 CB LYS A 6 -16.186 -3.488 3.063 1.00 0.00 C ATOM 82 CG LYS A 6 -17.706 -3.450 3.023 1.00 0.00 C ATOM 83 CD LYS A 6 -18.317 -4.328 4.110 1.00 0.00 C ATOM 84 CE LYS A 6 -18.442 -3.605 5.450 1.00 0.00 C ATOM 85 NZ LYS A 6 -17.153 -3.030 5.932 1.00 0.00 N ATOM 0 H LYS A 6 -16.216 -4.407 0.714 1.00 0.00 H new ATOM 0 HA LYS A 6 -15.796 -1.757 1.850 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -15.860 -4.527 3.109 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -15.845 -3.007 3.980 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -18.049 -2.423 3.149 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -18.054 -3.785 2.046 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -19.303 -4.663 3.789 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -17.704 -5.220 4.239 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -19.176 -2.805 5.356 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -18.823 -4.302 6.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -17.227 -2.814 6.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -16.388 -3.718 5.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -16.944 -2.157 5.406 1.00 0.00 H new ATOM 99 N ILE A 7 -13.481 -4.122 1.790 1.00 0.00 N ATOM 100 CA ILE A 7 -12.054 -4.387 1.952 1.00 0.00 C ATOM 101 C ILE A 7 -11.213 -3.604 0.943 1.00 0.00 C ATOM 102 O ILE A 7 -10.129 -3.125 1.269 1.00 0.00 O ATOM 103 CB ILE A 7 -11.731 -5.894 1.837 1.00 0.00 C ATOM 104 CG1 ILE A 7 -12.272 -6.463 0.521 1.00 0.00 C ATOM 105 CG2 ILE A 7 -12.308 -6.648 3.027 1.00 0.00 C ATOM 106 CD1 ILE A 7 -11.879 -7.902 0.270 1.00 0.00 C ATOM 0 H ILE A 7 -14.029 -4.934 1.507 1.00 0.00 H new ATOM 0 HA ILE A 7 -11.795 -4.052 2.956 1.00 0.00 H new ATOM 0 HB ILE A 7 -10.648 -6.019 1.840 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -13.359 -6.388 0.524 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -11.912 -5.849 -0.305 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -12.074 -7.708 2.934 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -11.874 -6.260 3.949 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -13.390 -6.516 3.051 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -12.299 -8.234 -0.680 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -10.793 -7.981 0.234 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -12.262 -8.529 1.075 1.00 0.00 H new ATOM 118 N MET A 8 -11.724 -3.447 -0.276 1.00 0.00 N ATOM 119 CA MET A 8 -10.992 -2.726 -1.317 1.00 0.00 C ATOM 120 C MET A 8 -10.787 -1.266 -0.918 1.00 0.00 C ATOM 121 O MET A 8 -9.816 -0.633 -1.322 1.00 0.00 O ATOM 122 CB MET A 8 -11.722 -2.796 -2.665 1.00 0.00 C ATOM 123 CG MET A 8 -13.064 -2.084 -2.675 1.00 0.00 C ATOM 124 SD MET A 8 -13.743 -1.876 -4.336 1.00 0.00 S ATOM 125 CE MET A 8 -14.013 -3.580 -4.814 1.00 0.00 C ATOM 0 H MET A 8 -12.634 -3.805 -0.567 1.00 0.00 H new ATOM 0 HA MET A 8 -10.020 -3.208 -1.426 1.00 0.00 H new ATOM 0 HB2 MET A 8 -11.085 -2.361 -3.435 1.00 0.00 H new ATOM 0 HB3 MET A 8 -11.875 -3.842 -2.931 1.00 0.00 H new ATOM 0 HG2 MET A 8 -13.772 -2.647 -2.067 1.00 0.00 H new ATOM 0 HG3 MET A 8 -12.953 -1.105 -2.209 1.00 0.00 H new ATOM 0 HE1 MET A 8 -14.381 -3.616 -5.839 1.00 0.00 H new ATOM 0 HE2 MET A 8 -13.075 -4.130 -4.745 1.00 0.00 H new ATOM 0 HE3 MET A 8 -14.748 -4.032 -4.149 1.00 0.00 H new ATOM 135 N SER A 9 -11.688 -0.753 -0.092 1.00 0.00 N ATOM 136 CA SER A 9 -11.655 0.643 0.319 1.00 0.00 C ATOM 137 C SER A 9 -10.558 0.900 1.355 1.00 0.00 C ATOM 138 O SER A 9 -10.197 2.047 1.620 1.00 0.00 O ATOM 139 CB SER A 9 -13.024 1.040 0.870 1.00 0.00 C ATOM 140 OG SER A 9 -14.032 0.824 -0.109 1.00 0.00 O ATOM 0 H SER A 9 -12.457 -1.289 0.310 1.00 0.00 H new ATOM 0 HA SER A 9 -11.422 1.256 -0.552 1.00 0.00 H new ATOM 0 HB2 SER A 9 -13.246 0.458 1.765 1.00 0.00 H new ATOM 0 HB3 SER A 9 -13.014 2.089 1.166 1.00 0.00 H new ATOM 0 HG SER A 9 -14.383 -0.087 -0.021 1.00 0.00 H new ATOM 146 N ALA A 10 -10.022 -0.167 1.927 1.00 0.00 N ATOM 147 CA ALA A 10 -8.930 -0.047 2.879 1.00 0.00 C ATOM 148 C ALA A 10 -7.596 -0.359 2.208 1.00 0.00 C ATOM 149 O ALA A 10 -6.527 -0.124 2.772 1.00 0.00 O ATOM 150 CB ALA A 10 -9.174 -0.971 4.062 1.00 0.00 C ATOM 0 H ALA A 10 -10.325 -1.124 1.749 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.887 0.980 3.243 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -8.353 -0.877 4.772 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -10.109 -0.698 4.550 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -9.235 -2.002 3.712 1.00 0.00 H new ATOM 156 N ILE A 11 -7.673 -0.885 0.993 1.00 0.00 N ATOM 157 CA ILE A 11 -6.481 -1.252 0.240 1.00 0.00 C ATOM 158 C ILE A 11 -6.182 -0.205 -0.829 1.00 0.00 C ATOM 159 O ILE A 11 -5.085 0.342 -0.894 1.00 0.00 O ATOM 160 CB ILE A 11 -6.654 -2.633 -0.428 1.00 0.00 C ATOM 161 CG1 ILE A 11 -6.996 -3.694 0.622 1.00 0.00 C ATOM 162 CG2 ILE A 11 -5.391 -3.025 -1.180 1.00 0.00 C ATOM 163 CD1 ILE A 11 -7.365 -5.042 0.033 1.00 0.00 C ATOM 0 H ILE A 11 -8.551 -1.068 0.507 1.00 0.00 H new ATOM 0 HA ILE A 11 -5.647 -1.301 0.940 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.476 -2.569 -1.141 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.143 -3.820 1.288 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -7.826 -3.335 1.231 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -5.532 -4.001 -1.644 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.182 -2.283 -1.951 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -4.553 -3.072 -0.484 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -7.594 -5.740 0.838 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -8.238 -4.931 -0.611 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -6.529 -5.425 -0.552 1.00 0.00 H new ATOM 175 N PHE A 12 -7.186 0.097 -1.646 1.00 0.00 N ATOM 176 CA PHE A 12 -7.029 1.053 -2.740 1.00 0.00 C ATOM 177 C PHE A 12 -7.183 2.482 -2.236 1.00 0.00 C ATOM 178 O PHE A 12 -7.155 3.436 -3.013 1.00 0.00 O ATOM 179 CB PHE A 12 -8.046 0.766 -3.852 1.00 0.00 C ATOM 180 CG PHE A 12 -7.768 -0.506 -4.605 1.00 0.00 C ATOM 181 CD1 PHE A 12 -8.085 -1.740 -4.058 1.00 0.00 C ATOM 182 CD2 PHE A 12 -7.178 -0.467 -5.858 1.00 0.00 C ATOM 183 CE1 PHE A 12 -7.818 -2.906 -4.746 1.00 0.00 C ATOM 184 CE2 PHE A 12 -6.907 -1.631 -6.548 1.00 0.00 C ATOM 185 CZ PHE A 12 -7.228 -2.852 -5.992 1.00 0.00 C ATOM 0 H PHE A 12 -8.120 -0.307 -1.572 1.00 0.00 H new ATOM 0 HA PHE A 12 -6.025 0.941 -3.149 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -9.043 0.710 -3.416 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -8.051 1.600 -4.553 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -8.546 -1.789 -3.083 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -6.927 0.486 -6.300 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -8.071 -3.861 -4.309 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -6.444 -1.586 -7.523 1.00 0.00 H new ATOM 0 HZ PHE A 12 -7.018 -3.764 -6.531 1.00 0.00 H new ATOM 195 N GLY A 13 -7.344 2.619 -0.928 1.00 0.00 N ATOM 196 CA GLY A 13 -7.426 3.926 -0.319 1.00 0.00 C ATOM 197 C GLY A 13 -6.300 4.144 0.667 1.00 0.00 C ATOM 198 O GLY A 13 -6.323 5.088 1.455 1.00 0.00 O ATOM 0 H GLY A 13 -7.420 1.839 -0.275 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -7.389 4.693 -1.093 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -8.384 4.033 0.190 1.00 0.00 H new ATOM 572 N SER A 46 0.130 1.806 -9.260 1.00 0.00 N ATOM 573 CA SER A 46 -0.474 0.507 -9.027 1.00 0.00 C ATOM 574 C SER A 46 -0.614 0.269 -7.529 1.00 0.00 C ATOM 575 O SER A 46 0.186 0.772 -6.739 1.00 0.00 O ATOM 576 CB SER A 46 0.378 -0.594 -9.660 1.00 0.00 C ATOM 577 OG SER A 46 0.578 -0.345 -11.040 1.00 0.00 O ATOM 0 HA SER A 46 -1.463 0.486 -9.486 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.341 -0.651 -9.153 1.00 0.00 H new ATOM 0 HB3 SER A 46 -0.110 -1.559 -9.527 1.00 0.00 H new ATOM 0 HG SER A 46 0.577 0.622 -11.202 1.00 0.00 H new ATOM 583 N ILE A 47 -1.625 -0.491 -7.141 1.00 0.00 N ATOM 584 CA ILE A 47 -1.881 -0.759 -5.733 1.00 0.00 C ATOM 585 C ILE A 47 -1.284 -2.100 -5.322 1.00 0.00 C ATOM 586 O ILE A 47 -1.776 -3.149 -5.716 1.00 0.00 O ATOM 587 CB ILE A 47 -3.399 -0.750 -5.437 1.00 0.00 C ATOM 588 CG1 ILE A 47 -3.976 0.649 -5.674 1.00 0.00 C ATOM 589 CG2 ILE A 47 -3.689 -1.214 -4.017 1.00 0.00 C ATOM 590 CD1 ILE A 47 -3.355 1.721 -4.801 1.00 0.00 C ATOM 0 H ILE A 47 -2.283 -0.934 -7.781 1.00 0.00 H new ATOM 0 HA ILE A 47 -1.406 0.032 -5.153 1.00 0.00 H new ATOM 0 HB ILE A 47 -3.881 -1.450 -6.119 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -3.834 0.918 -6.721 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.051 0.624 -5.494 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.765 -1.196 -3.841 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -3.316 -2.229 -3.883 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.194 -0.549 -3.309 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.814 2.684 -5.025 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.520 1.476 -3.752 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.284 1.775 -4.997 1.00 0.00 H new ATOM 602 N ASP A 48 -0.217 -2.065 -4.542 1.00 0.00 N ATOM 603 CA ASP A 48 0.441 -3.292 -4.107 1.00 0.00 C ATOM 604 C ASP A 48 -0.321 -3.888 -2.928 1.00 0.00 C ATOM 605 O ASP A 48 -0.231 -3.393 -1.805 1.00 0.00 O ATOM 606 CB ASP A 48 1.891 -3.005 -3.719 1.00 0.00 C ATOM 607 CG ASP A 48 2.810 -4.184 -3.974 1.00 0.00 C ATOM 608 OD1 ASP A 48 2.403 -5.333 -3.717 1.00 0.00 O ATOM 609 OD2 ASP A 48 3.943 -3.961 -4.451 1.00 0.00 O ATOM 0 H ASP A 48 0.213 -1.207 -4.197 1.00 0.00 H new ATOM 0 HA ASP A 48 0.443 -4.010 -4.927 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.249 -2.142 -4.281 1.00 0.00 H new ATOM 0 HB3 ASP A 48 1.934 -2.738 -2.663 1.00 0.00 H new ATOM 614 N VAL A 49 -1.079 -4.943 -3.195 1.00 0.00 N ATOM 615 CA VAL A 49 -2.006 -5.497 -2.210 1.00 0.00 C ATOM 616 C VAL A 49 -1.296 -6.429 -1.229 1.00 0.00 C ATOM 617 O VAL A 49 -1.666 -6.508 -0.055 1.00 0.00 O ATOM 618 CB VAL A 49 -3.153 -6.270 -2.901 1.00 0.00 C ATOM 619 CG1 VAL A 49 -4.158 -6.793 -1.885 1.00 0.00 C ATOM 620 CG2 VAL A 49 -3.843 -5.390 -3.926 1.00 0.00 C ATOM 0 H VAL A 49 -1.072 -5.436 -4.088 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.418 -4.653 -1.657 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.718 -7.128 -3.413 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.952 -7.332 -2.403 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.656 -7.466 -1.190 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -4.587 -5.956 -1.334 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.648 -5.949 -4.403 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -4.256 -4.511 -3.432 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -3.122 -5.077 -4.681 1.00 0.00 H new ATOM 630 N ALA A 50 -0.264 -7.107 -1.717 1.00 0.00 N ATOM 631 CA ALA A 50 0.446 -8.118 -0.937 1.00 0.00 C ATOM 632 C ALA A 50 0.960 -7.571 0.404 1.00 0.00 C ATOM 633 O ALA A 50 0.634 -8.128 1.453 1.00 0.00 O ATOM 634 CB ALA A 50 1.587 -8.721 -1.751 1.00 0.00 C ATOM 0 H ALA A 50 0.104 -6.974 -2.659 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.272 -8.904 -0.703 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.104 -9.472 -1.153 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.185 -9.187 -2.651 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.288 -7.935 -2.032 1.00 0.00 H new ATOM 640 N PRO A 51 1.747 -6.472 0.410 1.00 0.00 N ATOM 641 CA PRO A 51 2.315 -5.932 1.649 1.00 0.00 C ATOM 642 C PRO A 51 1.242 -5.443 2.610 1.00 0.00 C ATOM 643 O PRO A 51 1.331 -5.673 3.813 1.00 0.00 O ATOM 644 CB PRO A 51 3.184 -4.759 1.179 1.00 0.00 C ATOM 645 CG PRO A 51 2.646 -4.394 -0.157 1.00 0.00 C ATOM 646 CD PRO A 51 2.139 -5.668 -0.760 1.00 0.00 C ATOM 0 HA PRO A 51 2.871 -6.691 2.199 1.00 0.00 H new ATOM 0 HB2 PRO A 51 3.123 -3.920 1.872 1.00 0.00 H new ATOM 0 HB3 PRO A 51 4.234 -5.045 1.117 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.846 -3.659 -0.068 1.00 0.00 H new ATOM 0 HG3 PRO A 51 3.421 -3.948 -0.781 1.00 0.00 H new ATOM 0 HD2 PRO A 51 1.294 -5.489 -1.425 1.00 0.00 H new ATOM 0 HD3 PRO A 51 2.908 -6.167 -1.350 1.00 0.00 H new ATOM 654 N ILE A 52 0.214 -4.798 2.066 1.00 0.00 N ATOM 655 CA ILE A 52 -0.852 -4.228 2.877 1.00 0.00 C ATOM 656 C ILE A 52 -1.524 -5.301 3.726 1.00 0.00 C ATOM 657 O ILE A 52 -1.798 -5.090 4.904 1.00 0.00 O ATOM 658 CB ILE A 52 -1.911 -3.524 2.002 1.00 0.00 C ATOM 659 CG1 ILE A 52 -1.267 -2.390 1.198 1.00 0.00 C ATOM 660 CG2 ILE A 52 -3.053 -2.987 2.862 1.00 0.00 C ATOM 661 CD1 ILE A 52 -2.235 -1.659 0.292 1.00 0.00 C ATOM 0 H ILE A 52 0.099 -4.658 1.062 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.395 -3.488 3.534 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.323 -4.255 1.306 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.820 -1.675 1.889 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.457 -2.799 0.594 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.788 -2.495 2.225 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.528 -3.812 3.393 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.660 -2.270 3.583 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.707 -0.871 -0.244 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.664 -2.360 -0.424 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.032 -1.219 0.891 1.00 0.00 H new ATOM 673 N LEU A 53 -1.743 -6.473 3.144 1.00 0.00 N ATOM 674 CA LEU A 53 -2.442 -7.537 3.850 1.00 0.00 C ATOM 675 C LEU A 53 -1.468 -8.363 4.668 1.00 0.00 C ATOM 676 O LEU A 53 -1.793 -8.815 5.764 1.00 0.00 O ATOM 677 CB LEU A 53 -3.225 -8.430 2.883 1.00 0.00 C ATOM 678 CG LEU A 53 -4.635 -7.936 2.539 1.00 0.00 C ATOM 679 CD1 LEU A 53 -4.591 -6.592 1.831 1.00 0.00 C ATOM 680 CD2 LEU A 53 -5.365 -8.962 1.689 1.00 0.00 C ATOM 0 H LEU A 53 -1.450 -6.709 2.196 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.159 -7.072 4.527 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.655 -8.526 1.959 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.302 -9.428 3.315 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.181 -7.804 3.473 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.606 -6.269 1.600 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.114 -5.856 2.478 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.021 -6.686 0.906 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.364 -8.595 1.454 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.812 -9.128 0.764 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.443 -9.900 2.238 1.00 0.00 H new ATOM 692 N ASP A 54 -0.258 -8.525 4.148 1.00 0.00 N ATOM 693 CA ASP A 54 0.789 -9.252 4.857 1.00 0.00 C ATOM 694 C ASP A 54 1.135 -8.533 6.159 1.00 0.00 C ATOM 695 O ASP A 54 1.496 -9.160 7.154 1.00 0.00 O ATOM 696 CB ASP A 54 2.031 -9.396 3.966 1.00 0.00 C ATOM 697 CG ASP A 54 3.091 -10.293 4.570 1.00 0.00 C ATOM 698 OD1 ASP A 54 2.885 -11.525 4.605 1.00 0.00 O ATOM 699 OD2 ASP A 54 4.142 -9.775 4.994 1.00 0.00 O ATOM 0 H ASP A 54 0.023 -8.163 3.237 1.00 0.00 H new ATOM 0 HA ASP A 54 0.427 -10.251 5.101 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.732 -9.797 2.998 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.458 -8.410 3.785 1.00 0.00 H new ATOM 704 N LYS A 55 1.004 -7.211 6.151 1.00 0.00 N ATOM 705 CA LYS A 55 1.213 -6.420 7.351 1.00 0.00 C ATOM 706 C LYS A 55 -0.070 -6.343 8.177 1.00 0.00 C ATOM 707 O LYS A 55 -0.021 -6.254 9.406 1.00 0.00 O ATOM 708 CB LYS A 55 1.695 -5.006 7.001 1.00 0.00 C ATOM 709 CG LYS A 55 3.024 -4.945 6.252 1.00 0.00 C ATOM 710 CD LYS A 55 4.136 -5.659 7.002 1.00 0.00 C ATOM 711 CE LYS A 55 4.254 -7.109 6.572 1.00 0.00 C ATOM 712 NZ LYS A 55 4.954 -7.255 5.270 1.00 0.00 N ATOM 0 H LYS A 55 0.754 -6.667 5.325 1.00 0.00 H new ATOM 0 HA LYS A 55 1.984 -6.912 7.943 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.931 -4.517 6.396 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.788 -4.431 7.923 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.905 -5.395 5.266 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.304 -3.903 6.095 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.082 -5.148 6.825 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.943 -5.611 8.074 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.792 -7.670 7.336 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.258 -7.546 6.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.907 -8.247 4.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.497 -6.648 4.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.949 -6.973 5.377 1.00 0.00 H new ATOM 726 N ALA A 56 -1.213 -6.389 7.495 1.00 0.00 N ATOM 727 CA ALA A 56 -2.516 -6.322 8.156 1.00 0.00 C ATOM 728 C ALA A 56 -2.739 -7.528 9.057 1.00 0.00 C ATOM 729 O ALA A 56 -3.409 -7.429 10.081 1.00 0.00 O ATOM 730 CB ALA A 56 -3.629 -6.222 7.126 1.00 0.00 C ATOM 0 H ALA A 56 -1.263 -6.473 6.480 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.530 -5.427 8.779 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.592 -6.173 7.634 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.489 -5.323 6.526 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.605 -7.098 6.478 1.00 0.00 H new ATOM 736 N VAL A 57 -2.167 -8.661 8.676 1.00 0.00 N ATOM 737 CA VAL A 57 -2.264 -9.877 9.477 1.00 0.00 C ATOM 738 C VAL A 57 -1.657 -9.645 10.856 1.00 0.00 C ATOM 739 O VAL A 57 -2.273 -9.930 11.884 1.00 0.00 O ATOM 740 CB VAL A 57 -1.552 -11.058 8.779 1.00 0.00 C ATOM 741 CG1 VAL A 57 -1.511 -12.281 9.678 1.00 0.00 C ATOM 742 CG2 VAL A 57 -2.239 -11.398 7.466 1.00 0.00 C ATOM 0 H VAL A 57 -1.629 -8.766 7.816 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.319 -10.129 9.586 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.527 -10.751 8.571 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.004 -13.096 9.161 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.971 -12.041 10.594 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.528 -12.585 9.925 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.723 -12.232 6.990 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.275 -11.675 7.659 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -2.212 -10.531 6.806 1.00 0.00 H new ATOM 752 N LYS A 58 -0.460 -9.083 10.865 1.00 0.00 N ATOM 753 CA LYS A 58 0.245 -8.791 12.104 1.00 0.00 C ATOM 754 C LYS A 58 -0.488 -7.713 12.893 1.00 0.00 C ATOM 755 O LYS A 58 -0.571 -7.771 14.120 1.00 0.00 O ATOM 756 CB LYS A 58 1.661 -8.311 11.789 1.00 0.00 C ATOM 757 CG LYS A 58 2.449 -9.251 10.889 1.00 0.00 C ATOM 758 CD LYS A 58 3.669 -8.558 10.300 1.00 0.00 C ATOM 759 CE LYS A 58 4.588 -8.018 11.387 1.00 0.00 C ATOM 760 NZ LYS A 58 5.778 -7.323 10.829 1.00 0.00 N ATOM 0 H LYS A 58 0.048 -8.818 10.021 1.00 0.00 H new ATOM 0 HA LYS A 58 0.288 -9.701 12.702 1.00 0.00 H new ATOM 0 HB2 LYS A 58 1.604 -7.332 11.313 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.205 -8.179 12.724 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.764 -10.125 11.459 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.808 -9.610 10.084 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.219 -9.260 9.673 1.00 0.00 H new ATOM 0 HD3 LYS A 58 3.347 -7.740 9.656 1.00 0.00 H new ATOM 0 HE2 LYS A 58 4.031 -7.327 12.020 1.00 0.00 H new ATOM 0 HE3 LYS A 58 4.916 -8.840 12.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 6.373 -6.973 11.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 6.326 -7.987 10.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 5.469 -6.522 10.243 1.00 0.00 H new ATOM 774 N ALA A 59 -1.021 -6.735 12.170 1.00 0.00 N ATOM 775 CA ALA A 59 -1.716 -5.615 12.782 1.00 0.00 C ATOM 776 C ALA A 59 -3.038 -6.061 13.395 1.00 0.00 C ATOM 777 O ALA A 59 -3.507 -5.473 14.368 1.00 0.00 O ATOM 778 CB ALA A 59 -1.953 -4.518 11.755 1.00 0.00 C ATOM 0 H ALA A 59 -0.983 -6.698 11.151 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.088 -5.221 13.581 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.474 -3.685 12.226 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.996 -4.173 11.364 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -2.559 -4.909 10.938 1.00 0.00 H new ATOM 784 N LYS A 60 -3.638 -7.099 12.818 1.00 0.00 N ATOM 785 CA LYS A 60 -4.881 -7.634 13.340 1.00 0.00 C ATOM 786 C LYS A 60 -4.633 -8.305 14.687 1.00 0.00 C ATOM 787 O LYS A 60 -5.300 -7.996 15.676 1.00 0.00 O ATOM 788 CB LYS A 60 -5.505 -8.631 12.360 1.00 0.00 C ATOM 789 CG LYS A 60 -6.944 -8.955 12.706 1.00 0.00 C ATOM 790 CD LYS A 60 -7.487 -10.096 11.882 1.00 0.00 C ATOM 791 CE LYS A 60 -8.873 -10.472 12.360 1.00 0.00 C ATOM 792 NZ LYS A 60 -9.786 -9.295 12.387 1.00 0.00 N ATOM 0 H LYS A 60 -3.281 -7.581 11.993 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.580 -6.809 13.474 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -5.460 -8.221 11.351 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -4.919 -9.550 12.358 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.013 -9.208 13.764 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.561 -8.070 12.549 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -7.522 -9.811 10.831 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -6.823 -10.957 11.957 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.288 -11.239 11.706 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -8.808 -10.905 13.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.761 -9.616 12.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.498 -8.650 13.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.737 -8.797 11.476 1.00 0.00 H new ATOM 806 N GLY A 61 -3.691 -9.240 14.719 1.00 0.00 N ATOM 807 CA GLY A 61 -3.273 -9.807 15.988 1.00 0.00 C ATOM 808 C GLY A 61 -2.649 -11.179 15.852 1.00 0.00 C ATOM 809 O GLY A 61 -1.606 -11.457 16.444 1.00 0.00 O ATOM 0 H GLY A 61 -3.213 -9.613 13.899 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.557 -9.135 16.461 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.135 -9.871 16.651 1.00 0.00 H new ATOM 813 N GLU A 62 -3.271 -12.023 15.054 1.00 0.00 N ATOM 814 CA GLU A 62 -2.860 -13.414 14.931 1.00 0.00 C ATOM 815 C GLU A 62 -2.288 -13.662 13.542 1.00 0.00 C ATOM 816 O GLU A 62 -2.459 -12.836 12.653 1.00 0.00 O ATOM 817 CB GLU A 62 -4.056 -14.328 15.221 1.00 0.00 C ATOM 818 CG GLU A 62 -5.309 -13.962 14.436 1.00 0.00 C ATOM 819 CD GLU A 62 -6.584 -14.408 15.122 1.00 0.00 C ATOM 820 OE1 GLU A 62 -7.015 -15.563 14.919 1.00 0.00 O ATOM 821 OE2 GLU A 62 -7.164 -13.601 15.879 1.00 0.00 O ATOM 0 H GLU A 62 -4.071 -11.770 14.474 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.079 -13.637 15.657 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.780 -15.357 14.990 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.281 -14.290 16.287 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.339 -12.882 14.291 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.257 -14.415 13.446 1.00 0.00 H new ATOM 828 N LYS A 63 -1.592 -14.776 13.356 1.00 0.00 N ATOM 829 CA LYS A 63 -0.983 -15.064 12.067 1.00 0.00 C ATOM 830 C LYS A 63 -1.873 -15.997 11.257 1.00 0.00 C ATOM 831 O LYS A 63 -1.969 -17.193 11.544 1.00 0.00 O ATOM 832 CB LYS A 63 0.418 -15.670 12.238 1.00 0.00 C ATOM 833 CG LYS A 63 1.341 -15.423 11.044 1.00 0.00 C ATOM 834 CD LYS A 63 0.910 -16.190 9.800 1.00 0.00 C ATOM 835 CE LYS A 63 1.484 -15.564 8.539 1.00 0.00 C ATOM 836 NZ LYS A 63 1.081 -16.301 7.313 1.00 0.00 N ATOM 0 H LYS A 63 -1.437 -15.486 14.072 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.877 -14.124 11.526 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.878 -15.254 13.134 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.323 -16.744 12.397 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.361 -14.357 10.820 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.358 -15.712 11.310 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.239 -17.226 9.877 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.178 -16.205 9.738 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.150 -14.529 8.465 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.572 -15.544 8.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.523 -15.859 6.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.392 -17.291 7.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 0.046 -16.269 7.213 1.00 0.00 H new ATOM 850 N LEU A 64 -2.521 -15.436 10.252 1.00 0.00 N ATOM 851 CA LEU A 64 -3.385 -16.195 9.370 1.00 0.00 C ATOM 852 C LEU A 64 -2.780 -16.207 7.966 1.00 0.00 C ATOM 853 O LEU A 64 -1.629 -15.797 7.788 1.00 0.00 O ATOM 854 CB LEU A 64 -4.803 -15.603 9.348 1.00 0.00 C ATOM 855 CG LEU A 64 -5.313 -15.019 10.676 1.00 0.00 C ATOM 856 CD1 LEU A 64 -4.849 -13.581 10.856 1.00 0.00 C ATOM 857 CD2 LEU A 64 -6.828 -15.084 10.753 1.00 0.00 C ATOM 0 H LEU A 64 -2.462 -14.443 10.026 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.464 -17.218 9.738 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -4.835 -14.818 8.593 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.495 -16.382 9.027 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.895 -15.624 11.480 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.224 -13.193 11.803 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.760 -13.548 10.856 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.231 -12.970 10.038 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -7.162 -14.665 11.702 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.259 -14.512 9.931 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -7.152 -16.122 10.681 1.00 0.00 H new ATOM 869 N GLU A 65 -3.520 -16.692 6.976 1.00 0.00 N ATOM 870 CA GLU A 65 -2.983 -16.791 5.624 1.00 0.00 C ATOM 871 C GLU A 65 -4.020 -16.409 4.570 1.00 0.00 C ATOM 872 O GLU A 65 -4.832 -17.234 4.148 1.00 0.00 O ATOM 873 CB GLU A 65 -2.460 -18.205 5.369 1.00 0.00 C ATOM 874 CG GLU A 65 -1.600 -18.310 4.126 1.00 0.00 C ATOM 875 CD GLU A 65 -0.521 -17.250 4.102 1.00 0.00 C ATOM 876 OE1 GLU A 65 0.495 -17.412 4.808 1.00 0.00 O ATOM 877 OE2 GLU A 65 -0.700 -16.241 3.394 1.00 0.00 O ATOM 0 H GLU A 65 -4.481 -17.019 7.081 1.00 0.00 H new ATOM 0 HA GLU A 65 -2.159 -16.082 5.542 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.880 -18.532 6.232 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.306 -18.887 5.276 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -1.141 -19.298 4.083 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.227 -18.211 3.240 1.00 0.00 H new ATOM 884 N TRP A 66 -3.970 -15.156 4.137 1.00 0.00 N ATOM 885 CA TRP A 66 -4.920 -14.626 3.161 1.00 0.00 C ATOM 886 C TRP A 66 -4.652 -15.173 1.762 1.00 0.00 C ATOM 887 O TRP A 66 -5.537 -15.169 0.900 1.00 0.00 O ATOM 888 CB TRP A 66 -4.871 -13.092 3.144 1.00 0.00 C ATOM 889 CG TRP A 66 -3.510 -12.520 2.873 1.00 0.00 C ATOM 890 CD1 TRP A 66 -2.553 -12.214 3.796 1.00 0.00 C ATOM 891 CD2 TRP A 66 -2.965 -12.158 1.595 1.00 0.00 C ATOM 892 NE1 TRP A 66 -1.442 -11.699 3.171 1.00 0.00 N ATOM 893 CE2 TRP A 66 -1.671 -11.656 1.821 1.00 0.00 C ATOM 894 CE3 TRP A 66 -3.445 -12.219 0.284 1.00 0.00 C ATOM 895 CZ2 TRP A 66 -0.851 -11.215 0.785 1.00 0.00 C ATOM 896 CZ3 TRP A 66 -2.631 -11.780 -0.743 1.00 0.00 C ATOM 897 CH2 TRP A 66 -1.347 -11.284 -0.489 1.00 0.00 C ATOM 0 H TRP A 66 -3.274 -14.479 4.449 1.00 0.00 H new ATOM 0 HA TRP A 66 -5.916 -14.949 3.463 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -5.563 -12.727 2.386 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -5.224 -12.718 4.105 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -2.654 -12.356 4.862 1.00 0.00 H new ATOM 0 HE1 TRP A 66 -0.586 -11.398 3.637 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -4.433 -12.602 0.077 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 0.140 -10.833 0.980 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -2.992 -11.820 -1.760 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -0.736 -10.949 -1.314 1.00 0.00 H new ATOM 908 N ARG A 67 -3.435 -15.652 1.546 1.00 0.00 N ATOM 909 CA ARG A 67 -3.037 -16.179 0.248 1.00 0.00 C ATOM 910 C ARG A 67 -3.863 -17.412 -0.117 1.00 0.00 C ATOM 911 O ARG A 67 -4.064 -17.711 -1.295 1.00 0.00 O ATOM 912 CB ARG A 67 -1.542 -16.511 0.255 1.00 0.00 C ATOM 913 CG ARG A 67 -0.650 -15.289 0.453 1.00 0.00 C ATOM 914 CD ARG A 67 0.783 -15.690 0.780 1.00 0.00 C ATOM 915 NE ARG A 67 1.649 -14.530 1.021 1.00 0.00 N ATOM 916 CZ ARG A 67 1.875 -13.998 2.227 1.00 0.00 C ATOM 917 NH1 ARG A 67 1.263 -14.480 3.303 1.00 0.00 N ATOM 918 NH2 ARG A 67 2.712 -12.976 2.351 1.00 0.00 N ATOM 0 H ARG A 67 -2.703 -15.687 2.256 1.00 0.00 H new ATOM 0 HA ARG A 67 -3.224 -15.417 -0.509 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -1.341 -17.231 1.049 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -1.280 -16.994 -0.687 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -0.661 -14.679 -0.450 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -1.049 -14.673 1.259 1.00 0.00 H new ATOM 0 HD2 ARG A 67 0.786 -16.331 1.662 1.00 0.00 H new ATOM 0 HD3 ARG A 67 1.189 -16.278 -0.043 1.00 0.00 H new ATOM 0 HE ARG A 67 2.108 -14.102 0.217 1.00 0.00 H new ATOM 0 HH11 ARG A 67 0.615 -15.262 3.213 1.00 0.00 H new ATOM 0 HH12 ARG A 67 1.442 -14.068 4.219 1.00 0.00 H new ATOM 0 HH21 ARG A 67 3.181 -12.598 1.528 1.00 0.00 H new ATOM 0 HH22 ARG A 67 2.886 -12.568 3.270 1.00 0.00 H new ATOM 932 N THR A 68 -4.362 -18.113 0.897 1.00 0.00 N ATOM 933 CA THR A 68 -5.161 -19.308 0.672 1.00 0.00 C ATOM 934 C THR A 68 -6.553 -19.179 1.303 1.00 0.00 C ATOM 935 O THR A 68 -7.523 -19.748 0.806 1.00 0.00 O ATOM 936 CB THR A 68 -4.441 -20.569 1.213 1.00 0.00 C ATOM 937 OG1 THR A 68 -5.168 -21.754 0.865 1.00 0.00 O ATOM 938 CG2 THR A 68 -4.269 -20.504 2.723 1.00 0.00 C ATOM 0 H THR A 68 -4.226 -17.873 1.879 1.00 0.00 H new ATOM 0 HA THR A 68 -5.286 -19.416 -0.405 1.00 0.00 H new ATOM 0 HB THR A 68 -3.454 -20.603 0.752 1.00 0.00 H new ATOM 0 HG1 THR A 68 -4.698 -22.540 1.213 1.00 0.00 H new ATOM 0 HG21 THR A 68 -3.761 -21.403 3.070 1.00 0.00 H new ATOM 0 HG22 THR A 68 -3.675 -19.628 2.984 1.00 0.00 H new ATOM 0 HG23 THR A 68 -5.248 -20.434 3.198 1.00 0.00 H new ATOM 946 N SER A 69 -6.663 -18.405 2.375 1.00 0.00 N ATOM 947 CA SER A 69 -7.918 -18.282 3.095 1.00 0.00 C ATOM 948 C SER A 69 -8.600 -16.957 2.773 1.00 0.00 C ATOM 949 O SER A 69 -8.036 -15.882 3.003 1.00 0.00 O ATOM 950 CB SER A 69 -7.671 -18.394 4.603 1.00 0.00 C ATOM 951 OG SER A 69 -8.885 -18.368 5.333 1.00 0.00 O ATOM 0 H SER A 69 -5.897 -17.854 2.763 1.00 0.00 H new ATOM 0 HA SER A 69 -8.576 -19.092 2.780 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.137 -19.320 4.817 1.00 0.00 H new ATOM 0 HB3 SER A 69 -7.032 -17.574 4.930 1.00 0.00 H new ATOM 0 HG SER A 69 -8.692 -18.443 6.291 1.00 0.00 H new ATOM 957 N ILE A 70 -9.817 -17.033 2.245 1.00 0.00 N ATOM 958 CA ILE A 70 -10.590 -15.835 1.948 1.00 0.00 C ATOM 959 C ILE A 70 -11.160 -15.264 3.244 1.00 0.00 C ATOM 960 O ILE A 70 -11.521 -14.090 3.324 1.00 0.00 O ATOM 961 CB ILE A 70 -11.733 -16.124 0.939 1.00 0.00 C ATOM 962 CG1 ILE A 70 -12.346 -14.818 0.434 1.00 0.00 C ATOM 963 CG2 ILE A 70 -12.804 -17.007 1.558 1.00 0.00 C ATOM 964 CD1 ILE A 70 -11.364 -13.950 -0.318 1.00 0.00 C ATOM 0 H ILE A 70 -10.287 -17.909 2.015 1.00 0.00 H new ATOM 0 HA ILE A 70 -9.925 -15.106 1.486 1.00 0.00 H new ATOM 0 HB ILE A 70 -11.303 -16.659 0.092 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -13.190 -15.048 -0.217 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -12.741 -14.258 1.282 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -13.591 -17.192 0.827 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -12.362 -17.956 1.863 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -13.228 -16.508 2.429 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -11.863 -13.039 -0.649 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -10.532 -13.691 0.337 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -10.988 -14.493 -1.185 1.00 0.00 H new ATOM 976 N VAL A 71 -11.203 -16.110 4.269 1.00 0.00 N ATOM 977 CA VAL A 71 -11.706 -15.716 5.574 1.00 0.00 C ATOM 978 C VAL A 71 -10.721 -14.775 6.258 1.00 0.00 C ATOM 979 O VAL A 71 -11.125 -13.868 6.993 1.00 0.00 O ATOM 980 CB VAL A 71 -11.952 -16.948 6.474 1.00 0.00 C ATOM 981 CG1 VAL A 71 -12.556 -16.545 7.807 1.00 0.00 C ATOM 982 CG2 VAL A 71 -12.845 -17.954 5.773 1.00 0.00 C ATOM 0 H VAL A 71 -10.892 -17.080 4.216 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.655 -15.202 5.423 1.00 0.00 H new ATOM 0 HB VAL A 71 -10.986 -17.414 6.668 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -12.717 -17.434 8.417 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -11.876 -15.868 8.325 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -13.509 -16.044 7.638 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -13.006 -18.814 6.424 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -13.804 -17.490 5.541 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -12.368 -18.282 4.849 1.00 0.00 H new ATOM 992 N ASP A 72 -9.431 -14.981 5.994 1.00 0.00 N ATOM 993 CA ASP A 72 -8.388 -14.172 6.616 1.00 0.00 C ATOM 994 C ASP A 72 -8.426 -12.739 6.118 1.00 0.00 C ATOM 995 O ASP A 72 -8.713 -11.831 6.885 1.00 0.00 O ATOM 996 CB ASP A 72 -6.995 -14.752 6.370 1.00 0.00 C ATOM 997 CG ASP A 72 -5.912 -13.834 6.913 1.00 0.00 C ATOM 998 OD1 ASP A 72 -6.155 -13.179 7.945 1.00 0.00 O ATOM 999 OD2 ASP A 72 -4.818 -13.779 6.318 1.00 0.00 O ATOM 0 H ASP A 72 -9.086 -15.698 5.356 1.00 0.00 H new ATOM 0 HA ASP A 72 -8.589 -14.184 7.687 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -6.917 -15.730 6.844 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -6.845 -14.903 5.301 1.00 0.00 H new ATOM 1004 N LEU A 73 -8.161 -12.539 4.829 1.00 0.00 N ATOM 1005 CA LEU A 73 -8.077 -11.190 4.270 1.00 0.00 C ATOM 1006 C LEU A 73 -9.353 -10.394 4.537 1.00 0.00 C ATOM 1007 O LEU A 73 -9.327 -9.168 4.619 1.00 0.00 O ATOM 1008 CB LEU A 73 -7.771 -11.240 2.770 1.00 0.00 C ATOM 1009 CG LEU A 73 -8.753 -12.036 1.897 1.00 0.00 C ATOM 1010 CD1 LEU A 73 -9.913 -11.159 1.446 1.00 0.00 C ATOM 1011 CD2 LEU A 73 -8.030 -12.631 0.697 1.00 0.00 C ATOM 0 H LEU A 73 -8.002 -13.288 4.155 1.00 0.00 H new ATOM 0 HA LEU A 73 -7.256 -10.676 4.770 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.733 -10.217 2.395 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -6.776 -11.665 2.639 1.00 0.00 H new ATOM 0 HG LEU A 73 -9.161 -12.851 2.495 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -10.594 -11.745 0.829 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -10.446 -10.783 2.319 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.530 -10.319 0.866 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -8.738 -13.192 0.087 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -7.594 -11.829 0.101 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -7.240 -13.298 1.042 1.00 0.00 H new ATOM 1023 N MET A 74 -10.461 -11.103 4.679 1.00 0.00 N ATOM 1024 CA MET A 74 -11.733 -10.489 5.017 1.00 0.00 C ATOM 1025 C MET A 74 -11.649 -9.780 6.372 1.00 0.00 C ATOM 1026 O MET A 74 -11.881 -8.572 6.475 1.00 0.00 O ATOM 1027 CB MET A 74 -12.823 -11.567 5.037 1.00 0.00 C ATOM 1028 CG MET A 74 -14.163 -11.094 5.568 1.00 0.00 C ATOM 1029 SD MET A 74 -15.418 -12.392 5.551 1.00 0.00 S ATOM 1030 CE MET A 74 -14.642 -13.628 6.586 1.00 0.00 C ATOM 0 H MET A 74 -10.504 -12.116 4.564 1.00 0.00 H new ATOM 0 HA MET A 74 -11.981 -9.740 4.265 1.00 0.00 H new ATOM 0 HB2 MET A 74 -12.961 -11.946 4.024 1.00 0.00 H new ATOM 0 HB3 MET A 74 -12.479 -12.403 5.646 1.00 0.00 H new ATOM 0 HG2 MET A 74 -14.037 -10.730 6.588 1.00 0.00 H new ATOM 0 HG3 MET A 74 -14.509 -10.252 4.969 1.00 0.00 H new ATOM 0 HE1 MET A 74 -14.299 -14.457 5.967 1.00 0.00 H new ATOM 0 HE2 MET A 74 -13.791 -13.186 7.105 1.00 0.00 H new ATOM 0 HE3 MET A 74 -15.362 -13.994 7.317 1.00 0.00 H new ATOM 1040 N LYS A 75 -11.269 -10.528 7.398 1.00 0.00 N ATOM 1041 CA LYS A 75 -11.266 -10.009 8.761 1.00 0.00 C ATOM 1042 C LYS A 75 -10.081 -9.070 9.011 1.00 0.00 C ATOM 1043 O LYS A 75 -10.178 -8.152 9.831 1.00 0.00 O ATOM 1044 CB LYS A 75 -11.253 -11.167 9.769 1.00 0.00 C ATOM 1045 CG LYS A 75 -10.126 -12.170 9.561 1.00 0.00 C ATOM 1046 CD LYS A 75 -10.105 -13.240 10.645 1.00 0.00 C ATOM 1047 CE LYS A 75 -11.379 -14.069 10.652 1.00 0.00 C ATOM 1048 NZ LYS A 75 -11.388 -15.072 11.751 1.00 0.00 N ATOM 0 H LYS A 75 -10.959 -11.496 7.314 1.00 0.00 H new ATOM 0 HA LYS A 75 -12.178 -9.427 8.895 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -11.176 -10.756 10.775 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -12.206 -11.693 9.712 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.239 -12.644 8.586 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.171 -11.645 9.552 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -9.247 -13.895 10.491 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -9.975 -12.767 11.618 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -12.240 -13.409 10.757 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.484 -14.580 9.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -12.275 -15.615 11.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -10.582 -15.719 11.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -11.314 -14.584 12.667 1.00 0.00 H new ATOM 1062 N ALA A 76 -8.977 -9.330 8.312 1.00 0.00 N ATOM 1063 CA ALA A 76 -7.735 -8.564 8.432 1.00 0.00 C ATOM 1064 C ALA A 76 -7.962 -7.073 8.232 1.00 0.00 C ATOM 1065 O ALA A 76 -7.570 -6.269 9.076 1.00 0.00 O ATOM 1066 CB ALA A 76 -6.710 -9.074 7.422 1.00 0.00 C ATOM 0 H ALA A 76 -8.918 -10.091 7.635 1.00 0.00 H new ATOM 0 HA ALA A 76 -7.358 -8.706 9.445 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -5.789 -8.499 7.517 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -6.503 -10.127 7.614 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -7.106 -8.960 6.413 1.00 0.00 H new ATOM 1072 N LEU A 77 -8.584 -6.705 7.114 1.00 0.00 N ATOM 1073 CA LEU A 77 -8.860 -5.299 6.837 1.00 0.00 C ATOM 1074 C LEU A 77 -9.792 -4.721 7.898 1.00 0.00 C ATOM 1075 O LEU A 77 -9.372 -3.894 8.710 1.00 0.00 O ATOM 1076 CB LEU A 77 -9.461 -5.101 5.433 1.00 0.00 C ATOM 1077 CG LEU A 77 -8.461 -5.134 4.265 1.00 0.00 C ATOM 1078 CD1 LEU A 77 -7.335 -4.137 4.491 1.00 0.00 C ATOM 1079 CD2 LEU A 77 -7.899 -6.532 4.059 1.00 0.00 C ATOM 0 H LEU A 77 -8.903 -7.353 6.393 1.00 0.00 H new ATOM 0 HA LEU A 77 -7.910 -4.765 6.868 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -10.210 -5.875 5.267 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -9.982 -4.144 5.413 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.999 -4.850 3.361 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.640 -4.177 3.653 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -7.749 -3.132 4.571 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.808 -4.386 5.412 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.195 -6.522 3.226 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -7.385 -6.855 4.965 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.713 -7.222 3.838 1.00 0.00 H new ATOM 1091 N ASP A 78 -11.042 -5.180 7.908 1.00 0.00 N ATOM 1092 CA ASP A 78 -12.029 -4.728 8.896 1.00 0.00 C ATOM 1093 C ASP A 78 -13.384 -5.339 8.605 1.00 0.00 C ATOM 1094 O ASP A 78 -14.238 -4.701 7.992 1.00 0.00 O ATOM 1095 CB ASP A 78 -12.163 -3.197 8.906 1.00 0.00 C ATOM 1096 CG ASP A 78 -13.100 -2.698 9.992 1.00 0.00 C ATOM 1097 OD1 ASP A 78 -12.684 -2.667 11.172 1.00 0.00 O ATOM 1098 OD2 ASP A 78 -14.249 -2.328 9.675 1.00 0.00 O ATOM 0 H ASP A 78 -11.399 -5.866 7.243 1.00 0.00 H new ATOM 0 HA ASP A 78 -11.676 -5.053 9.875 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -11.179 -2.751 9.048 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -12.528 -2.862 7.935 1.00 0.00 H new ATOM 1103 N ILE A 79 -13.573 -6.585 9.003 1.00 0.00 N ATOM 1104 CA ILE A 79 -14.844 -7.259 8.774 1.00 0.00 C ATOM 1105 C ILE A 79 -15.245 -8.110 9.980 1.00 0.00 C ATOM 1106 O ILE A 79 -14.392 -8.687 10.660 1.00 0.00 O ATOM 1107 CB ILE A 79 -14.803 -8.133 7.492 1.00 0.00 C ATOM 1108 CG1 ILE A 79 -14.660 -7.266 6.236 1.00 0.00 C ATOM 1109 CG2 ILE A 79 -16.045 -9.002 7.377 1.00 0.00 C ATOM 1110 CD1 ILE A 79 -15.857 -6.378 5.963 1.00 0.00 C ATOM 0 H ILE A 79 -12.871 -7.149 9.482 1.00 0.00 H new ATOM 0 HA ILE A 79 -15.596 -6.483 8.633 1.00 0.00 H new ATOM 0 HB ILE A 79 -13.930 -8.781 7.572 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -13.772 -6.642 6.337 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -14.497 -7.915 5.375 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -15.986 -9.602 6.469 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -16.110 -9.660 8.243 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -16.930 -8.368 7.336 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -15.680 -5.796 5.059 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -16.745 -6.996 5.829 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -16.009 -5.703 6.805 1.00 0.00 H new ATOM 1122 N ASP A 80 -16.555 -8.146 10.238 1.00 0.00 N ATOM 1123 CA ASP A 80 -17.155 -8.960 11.303 1.00 0.00 C ATOM 1124 C ASP A 80 -16.626 -10.397 11.295 1.00 0.00 C ATOM 1125 O ASP A 80 -16.287 -10.950 12.344 1.00 0.00 O ATOM 1126 CB ASP A 80 -18.678 -8.962 11.128 1.00 0.00 C ATOM 1127 CG ASP A 80 -19.365 -10.062 11.908 1.00 0.00 C ATOM 1128 OD1 ASP A 80 -19.648 -9.858 13.109 1.00 0.00 O ATOM 1129 OD2 ASP A 80 -19.626 -11.127 11.317 1.00 0.00 O ATOM 0 H ASP A 80 -17.238 -7.605 9.708 1.00 0.00 H new ATOM 0 HA ASP A 80 -16.883 -8.522 12.263 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -19.075 -7.998 11.445 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -18.916 -9.072 10.070 1.00 0.00 H new ATOM 1134 N SER A 81 -16.613 -10.988 10.104 1.00 0.00 N ATOM 1135 CA SER A 81 -16.008 -12.300 9.834 1.00 0.00 C ATOM 1136 C SER A 81 -16.689 -13.446 10.592 1.00 0.00 C ATOM 1137 O SER A 81 -16.118 -14.528 10.723 1.00 0.00 O ATOM 1138 CB SER A 81 -14.490 -12.297 10.099 1.00 0.00 C ATOM 1139 OG SER A 81 -14.168 -12.058 11.459 1.00 0.00 O ATOM 0 H SER A 81 -17.031 -10.563 9.277 1.00 0.00 H new ATOM 0 HA SER A 81 -16.170 -12.484 8.772 1.00 0.00 H new ATOM 0 HB2 SER A 81 -14.071 -13.256 9.795 1.00 0.00 H new ATOM 0 HB3 SER A 81 -14.020 -11.533 9.480 1.00 0.00 H new ATOM 0 HG SER A 81 -14.993 -11.979 11.982 1.00 0.00 H new ATOM 1145 N SER A 82 -17.908 -13.224 11.061 1.00 0.00 N ATOM 1146 CA SER A 82 -18.687 -14.290 11.668 1.00 0.00 C ATOM 1147 C SER A 82 -19.618 -14.891 10.612 1.00 0.00 C ATOM 1148 O SER A 82 -19.302 -14.862 9.418 1.00 0.00 O ATOM 1149 CB SER A 82 -19.480 -13.761 12.869 1.00 0.00 C ATOM 1150 OG SER A 82 -20.015 -14.829 13.636 1.00 0.00 O ATOM 0 H SER A 82 -18.377 -12.318 11.033 1.00 0.00 H new ATOM 0 HA SER A 82 -18.018 -15.068 12.036 1.00 0.00 H new ATOM 0 HB2 SER A 82 -18.832 -13.148 13.495 1.00 0.00 H new ATOM 0 HB3 SER A 82 -20.288 -13.118 12.521 1.00 0.00 H new ATOM 0 HG SER A 82 -20.515 -14.467 14.397 1.00 0.00 H new ATOM 1156 N LEU A 83 -20.750 -15.445 11.033 1.00 0.00 N ATOM 1157 CA LEU A 83 -21.685 -16.071 10.100 1.00 0.00 C ATOM 1158 C LEU A 83 -22.251 -15.028 9.142 1.00 0.00 C ATOM 1159 O LEU A 83 -22.293 -15.251 7.936 1.00 0.00 O ATOM 1160 CB LEU A 83 -22.818 -16.777 10.864 1.00 0.00 C ATOM 1161 CG LEU A 83 -23.663 -17.787 10.060 1.00 0.00 C ATOM 1162 CD1 LEU A 83 -24.635 -17.094 9.114 1.00 0.00 C ATOM 1163 CD2 LEU A 83 -22.765 -18.733 9.282 1.00 0.00 C ATOM 0 H LEU A 83 -21.043 -15.474 12.010 1.00 0.00 H new ATOM 0 HA LEU A 83 -21.148 -16.820 9.518 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -22.382 -17.298 11.716 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -23.486 -16.015 11.265 1.00 0.00 H new ATOM 0 HG LEU A 83 -24.251 -18.358 10.779 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -25.209 -17.843 8.569 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -25.314 -16.464 9.688 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -24.078 -16.478 8.407 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -23.378 -19.438 8.721 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -22.146 -18.161 8.591 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -22.125 -19.280 9.975 1.00 0.00 H new ATOM 1175 N SER A 84 -22.664 -13.888 9.686 1.00 0.00 N ATOM 1176 CA SER A 84 -23.280 -12.827 8.893 1.00 0.00 C ATOM 1177 C SER A 84 -22.363 -12.366 7.760 1.00 0.00 C ATOM 1178 O SER A 84 -22.792 -12.260 6.612 1.00 0.00 O ATOM 1179 CB SER A 84 -23.641 -11.647 9.797 1.00 0.00 C ATOM 1180 OG SER A 84 -24.489 -12.066 10.855 1.00 0.00 O ATOM 0 H SER A 84 -22.583 -13.673 10.680 1.00 0.00 H new ATOM 0 HA SER A 84 -24.187 -13.227 8.440 1.00 0.00 H new ATOM 0 HB2 SER A 84 -22.733 -11.205 10.206 1.00 0.00 H new ATOM 0 HB3 SER A 84 -24.137 -10.873 9.212 1.00 0.00 H new ATOM 0 HG SER A 84 -24.707 -11.298 11.423 1.00 0.00 H new ATOM 1186 N ALA A 85 -21.098 -12.119 8.084 1.00 0.00 N ATOM 1187 CA ALA A 85 -20.135 -11.637 7.100 1.00 0.00 C ATOM 1188 C ALA A 85 -19.908 -12.661 5.990 1.00 0.00 C ATOM 1189 O ALA A 85 -20.020 -12.345 4.806 1.00 0.00 O ATOM 1190 CB ALA A 85 -18.822 -11.296 7.780 1.00 0.00 C ATOM 0 H ALA A 85 -20.715 -12.245 9.021 1.00 0.00 H new ATOM 0 HA ALA A 85 -20.545 -10.737 6.641 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -18.110 -10.937 7.037 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -18.990 -10.520 8.526 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -18.422 -12.186 8.266 1.00 0.00 H new ATOM 1196 N ARG A 86 -19.603 -13.893 6.377 1.00 0.00 N ATOM 1197 CA ARG A 86 -19.366 -14.964 5.412 1.00 0.00 C ATOM 1198 C ARG A 86 -20.589 -15.171 4.527 1.00 0.00 C ATOM 1199 O ARG A 86 -20.473 -15.529 3.355 1.00 0.00 O ATOM 1200 CB ARG A 86 -19.030 -16.266 6.141 1.00 0.00 C ATOM 1201 CG ARG A 86 -17.671 -16.255 6.821 1.00 0.00 C ATOM 1202 CD ARG A 86 -17.474 -17.486 7.692 1.00 0.00 C ATOM 1203 NE ARG A 86 -18.326 -17.457 8.883 1.00 0.00 N ATOM 1204 CZ ARG A 86 -18.561 -18.515 9.660 1.00 0.00 C ATOM 1205 NH1 ARG A 86 -18.079 -19.707 9.337 1.00 0.00 N ATOM 1206 NH2 ARG A 86 -19.300 -18.387 10.754 1.00 0.00 N ATOM 0 H ARG A 86 -19.513 -14.178 7.352 1.00 0.00 H new ATOM 0 HA ARG A 86 -18.523 -14.677 4.783 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -19.799 -16.462 6.889 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -19.062 -17.090 5.428 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -16.886 -16.212 6.066 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -17.576 -15.357 7.431 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -17.694 -18.381 7.110 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -16.429 -17.552 7.995 1.00 0.00 H new ATOM 0 HE ARG A 86 -18.767 -16.572 9.134 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -17.524 -19.820 8.489 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -18.263 -20.511 9.937 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -19.690 -17.478 11.003 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -19.478 -19.198 11.347 1.00 0.00 H new ATOM 1220 N LYS A 87 -21.756 -14.924 5.097 1.00 0.00 N ATOM 1221 CA LYS A 87 -23.009 -15.128 4.399 1.00 0.00 C ATOM 1222 C LYS A 87 -23.233 -14.045 3.347 1.00 0.00 C ATOM 1223 O LYS A 87 -23.612 -14.349 2.214 1.00 0.00 O ATOM 1224 CB LYS A 87 -24.169 -15.148 5.400 1.00 0.00 C ATOM 1225 CG LYS A 87 -25.476 -15.649 4.811 1.00 0.00 C ATOM 1226 CD LYS A 87 -25.352 -17.079 4.310 1.00 0.00 C ATOM 1227 CE LYS A 87 -25.064 -18.055 5.439 1.00 0.00 C ATOM 1228 NZ LYS A 87 -24.984 -19.457 4.947 1.00 0.00 N ATOM 0 H LYS A 87 -21.859 -14.578 6.051 1.00 0.00 H new ATOM 0 HA LYS A 87 -22.964 -16.089 3.887 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -23.896 -15.779 6.246 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -24.319 -14.141 5.789 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -26.261 -15.594 5.566 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -25.778 -15.000 3.989 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -26.275 -17.368 3.807 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -24.554 -17.136 3.569 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -24.125 -17.785 5.923 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -25.846 -17.978 6.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -25.675 -20.044 5.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -25.194 -19.480 3.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -24.027 -19.828 5.111 1.00 0.00 H new ATOM 1242 N GLU A 88 -22.984 -12.786 3.710 1.00 0.00 N ATOM 1243 CA GLU A 88 -23.231 -11.683 2.791 1.00 0.00 C ATOM 1244 C GLU A 88 -22.258 -11.726 1.620 1.00 0.00 C ATOM 1245 O GLU A 88 -22.660 -11.566 0.472 1.00 0.00 O ATOM 1246 CB GLU A 88 -23.170 -10.314 3.491 1.00 0.00 C ATOM 1247 CG GLU A 88 -21.813 -9.934 4.057 1.00 0.00 C ATOM 1248 CD GLU A 88 -21.664 -8.434 4.200 1.00 0.00 C ATOM 1249 OE1 GLU A 88 -22.186 -7.866 5.176 1.00 0.00 O ATOM 1250 OE2 GLU A 88 -21.061 -7.806 3.307 1.00 0.00 O ATOM 0 H GLU A 88 -22.617 -12.511 4.621 1.00 0.00 H new ATOM 0 HA GLU A 88 -24.245 -11.808 2.412 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -23.476 -9.547 2.780 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -23.899 -10.306 4.302 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -21.679 -10.407 5.030 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -21.027 -10.317 3.406 1.00 0.00 H new ATOM 1257 N LEU A 89 -20.985 -11.974 1.909 1.00 0.00 N ATOM 1258 CA LEU A 89 -19.964 -12.020 0.872 1.00 0.00 C ATOM 1259 C LEU A 89 -20.307 -13.078 -0.171 1.00 0.00 C ATOM 1260 O LEU A 89 -20.169 -12.851 -1.374 1.00 0.00 O ATOM 1261 CB LEU A 89 -18.592 -12.300 1.496 1.00 0.00 C ATOM 1262 CG LEU A 89 -17.425 -12.401 0.510 1.00 0.00 C ATOM 1263 CD1 LEU A 89 -17.340 -11.156 -0.361 1.00 0.00 C ATOM 1264 CD2 LEU A 89 -16.117 -12.615 1.258 1.00 0.00 C ATOM 0 H LEU A 89 -20.637 -12.146 2.852 1.00 0.00 H new ATOM 0 HA LEU A 89 -19.928 -11.052 0.373 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -18.371 -11.510 2.213 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -18.652 -13.232 2.057 1.00 0.00 H new ATOM 0 HG LEU A 89 -17.602 -13.258 -0.139 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -16.503 -11.252 -1.053 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -18.266 -11.043 -0.925 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -17.190 -10.280 0.270 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -15.297 -12.685 0.544 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -15.941 -11.776 1.931 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -16.175 -13.538 1.835 1.00 0.00 H new ATOM 1276 N ALA A 90 -20.786 -14.220 0.294 1.00 0.00 N ATOM 1277 CA ALA A 90 -21.140 -15.310 -0.595 1.00 0.00 C ATOM 1278 C ALA A 90 -22.367 -14.976 -1.437 1.00 0.00 C ATOM 1279 O ALA A 90 -22.348 -15.133 -2.657 1.00 0.00 O ATOM 1280 CB ALA A 90 -21.375 -16.580 0.199 1.00 0.00 C ATOM 0 H ALA A 90 -20.938 -14.415 1.284 1.00 0.00 H new ATOM 0 HA ALA A 90 -20.305 -15.465 -1.278 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -21.640 -17.390 -0.480 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -20.467 -16.843 0.741 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -22.187 -16.421 0.908 1.00 0.00 H new ATOM 1286 N LYS A 91 -23.426 -14.494 -0.793 1.00 0.00 N ATOM 1287 CA LYS A 91 -24.709 -14.306 -1.469 1.00 0.00 C ATOM 1288 C LYS A 91 -24.693 -13.109 -2.421 1.00 0.00 C ATOM 1289 O LYS A 91 -25.461 -13.074 -3.385 1.00 0.00 O ATOM 1290 CB LYS A 91 -25.845 -14.179 -0.450 1.00 0.00 C ATOM 1291 CG LYS A 91 -25.813 -12.902 0.372 1.00 0.00 C ATOM 1292 CD LYS A 91 -26.847 -12.947 1.487 1.00 0.00 C ATOM 1293 CE LYS A 91 -26.973 -11.611 2.195 1.00 0.00 C ATOM 1294 NZ LYS A 91 -27.564 -10.572 1.313 1.00 0.00 N ATOM 0 H LYS A 91 -23.423 -14.227 0.191 1.00 0.00 H new ATOM 0 HA LYS A 91 -24.885 -15.193 -2.077 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -26.797 -14.233 -0.978 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -25.807 -15.033 0.226 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -24.819 -12.764 0.798 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -26.005 -12.045 -0.273 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -27.815 -13.232 1.074 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -26.570 -13.716 2.208 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -27.592 -11.728 3.084 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -25.989 -11.284 2.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -28.119 -9.905 1.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -26.803 -10.058 0.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -28.184 -11.024 0.611 1.00 0.00 H new ATOM 1308 N GLU A 92 -23.819 -12.143 -2.168 1.00 0.00 N ATOM 1309 CA GLU A 92 -23.691 -10.992 -3.055 1.00 0.00 C ATOM 1310 C GLU A 92 -22.896 -11.371 -4.301 1.00 0.00 C ATOM 1311 O GLU A 92 -23.045 -10.758 -5.354 1.00 0.00 O ATOM 1312 CB GLU A 92 -23.016 -9.813 -2.347 1.00 0.00 C ATOM 1313 CG GLU A 92 -23.754 -9.318 -1.111 1.00 0.00 C ATOM 1314 CD GLU A 92 -25.212 -9.003 -1.371 1.00 0.00 C ATOM 1315 OE1 GLU A 92 -25.499 -8.184 -2.262 1.00 0.00 O ATOM 1316 OE2 GLU A 92 -26.082 -9.570 -0.674 1.00 0.00 O ATOM 0 H GLU A 92 -23.193 -12.132 -1.363 1.00 0.00 H new ATOM 0 HA GLU A 92 -24.695 -10.684 -3.346 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -22.006 -10.107 -2.060 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -22.919 -8.988 -3.053 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -23.687 -10.074 -0.329 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -23.258 -8.424 -0.734 1.00 0.00 H new ATOM 1323 N LEU A 93 -22.052 -12.388 -4.176 1.00 0.00 N ATOM 1324 CA LEU A 93 -21.260 -12.857 -5.303 1.00 0.00 C ATOM 1325 C LEU A 93 -22.024 -13.891 -6.121 1.00 0.00 C ATOM 1326 O LEU A 93 -21.797 -14.023 -7.325 1.00 0.00 O ATOM 1327 CB LEU A 93 -19.927 -13.432 -4.826 1.00 0.00 C ATOM 1328 CG LEU A 93 -18.926 -12.390 -4.329 1.00 0.00 C ATOM 1329 CD1 LEU A 93 -17.659 -13.059 -3.830 1.00 0.00 C ATOM 1330 CD2 LEU A 93 -18.602 -11.398 -5.436 1.00 0.00 C ATOM 0 H LEU A 93 -21.900 -12.901 -3.308 1.00 0.00 H new ATOM 0 HA LEU A 93 -21.057 -12.000 -5.946 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -20.120 -14.143 -4.023 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -19.474 -13.991 -5.645 1.00 0.00 H new ATOM 0 HG LEU A 93 -19.377 -11.849 -3.497 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -16.960 -12.299 -3.481 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -17.903 -13.733 -3.009 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -17.203 -13.626 -4.642 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -17.888 -10.662 -5.067 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -18.171 -11.928 -6.285 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -19.515 -10.892 -5.750 1.00 0.00 H new ATOM 1342 N GLY A 94 -22.921 -14.624 -5.472 1.00 0.00 N ATOM 1343 CA GLY A 94 -23.733 -15.592 -6.190 1.00 0.00 C ATOM 1344 C GLY A 94 -24.205 -16.736 -5.320 1.00 0.00 C ATOM 1345 O GLY A 94 -25.284 -17.284 -5.550 1.00 0.00 O ATOM 0 H GLY A 94 -23.101 -14.568 -4.470 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -24.600 -15.086 -6.615 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -23.157 -15.992 -7.024 1.00 0.00 H new ATOM 1349 N TYR A 95 -23.393 -17.096 -4.325 1.00 0.00 N ATOM 1350 CA TYR A 95 -23.687 -18.211 -3.419 1.00 0.00 C ATOM 1351 C TYR A 95 -23.799 -19.516 -4.210 1.00 0.00 C ATOM 1352 O TYR A 95 -24.460 -20.462 -3.783 1.00 0.00 O ATOM 1353 CB TYR A 95 -24.980 -17.940 -2.632 1.00 0.00 C ATOM 1354 CG TYR A 95 -25.080 -18.677 -1.307 1.00 0.00 C ATOM 1355 CD1 TYR A 95 -24.401 -18.215 -0.186 1.00 0.00 C ATOM 1356 CD2 TYR A 95 -25.857 -19.823 -1.171 1.00 0.00 C ATOM 1357 CE1 TYR A 95 -24.491 -18.872 1.028 1.00 0.00 C ATOM 1358 CE2 TYR A 95 -25.953 -20.484 0.042 1.00 0.00 C ATOM 1359 CZ TYR A 95 -25.266 -20.004 1.138 1.00 0.00 C ATOM 1360 OH TYR A 95 -25.361 -20.657 2.348 1.00 0.00 O ATOM 0 H TYR A 95 -22.512 -16.623 -4.123 1.00 0.00 H new ATOM 0 HA TYR A 95 -22.869 -18.307 -2.705 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -25.058 -16.869 -2.444 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -25.832 -18.217 -3.252 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -23.792 -17.327 -0.264 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -26.395 -20.204 -2.027 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -23.954 -18.498 1.887 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -26.563 -21.371 0.130 1.00 0.00 H new ATOM 0 HH TYR A 95 -25.948 -21.436 2.254 1.00 0.00 H new ATOM 1454 N ALA A 103 -16.065 -26.174 2.986 1.00 0.00 N ATOM 1455 CA ALA A 103 -14.764 -26.638 2.509 1.00 0.00 C ATOM 1456 C ALA A 103 -14.425 -26.026 1.155 1.00 0.00 C ATOM 1457 O ALA A 103 -13.443 -25.296 1.020 1.00 0.00 O ATOM 1458 CB ALA A 103 -14.749 -28.158 2.421 1.00 0.00 C ATOM 0 HA ALA A 103 -14.006 -26.316 3.223 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -13.775 -28.492 2.064 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -14.939 -28.581 3.407 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -15.522 -28.490 1.728 1.00 0.00 H new ATOM 1464 N SER A 104 -15.251 -26.304 0.160 1.00 0.00 N ATOM 1465 CA SER A 104 -15.024 -25.768 -1.170 1.00 0.00 C ATOM 1466 C SER A 104 -15.557 -24.339 -1.275 1.00 0.00 C ATOM 1467 O SER A 104 -15.310 -23.645 -2.262 1.00 0.00 O ATOM 1468 CB SER A 104 -15.680 -26.666 -2.215 1.00 0.00 C ATOM 1469 OG SER A 104 -15.233 -28.008 -2.083 1.00 0.00 O ATOM 0 H SER A 104 -16.079 -26.893 0.247 1.00 0.00 H new ATOM 0 HA SER A 104 -13.950 -25.742 -1.357 1.00 0.00 H new ATOM 0 HB2 SER A 104 -16.764 -26.627 -2.105 1.00 0.00 H new ATOM 0 HB3 SER A 104 -15.448 -26.298 -3.214 1.00 0.00 H new ATOM 0 HG SER A 104 -15.668 -28.566 -2.762 1.00 0.00 H new ATOM 1475 N MET A 105 -16.277 -23.900 -0.244 1.00 0.00 N ATOM 1476 CA MET A 105 -16.832 -22.551 -0.216 1.00 0.00 C ATOM 1477 C MET A 105 -15.735 -21.530 0.055 1.00 0.00 C ATOM 1478 O MET A 105 -15.807 -20.404 -0.412 1.00 0.00 O ATOM 1479 CB MET A 105 -17.937 -22.436 0.839 1.00 0.00 C ATOM 1480 CG MET A 105 -18.622 -21.075 0.873 1.00 0.00 C ATOM 1481 SD MET A 105 -19.971 -20.998 2.072 1.00 0.00 S ATOM 1482 CE MET A 105 -21.072 -22.251 1.417 1.00 0.00 C ATOM 0 H MET A 105 -16.489 -24.460 0.582 1.00 0.00 H new ATOM 0 HA MET A 105 -17.269 -22.345 -1.193 1.00 0.00 H new ATOM 0 HB2 MET A 105 -18.687 -23.204 0.650 1.00 0.00 H new ATOM 0 HB3 MET A 105 -17.511 -22.641 1.821 1.00 0.00 H new ATOM 0 HG2 MET A 105 -17.885 -20.309 1.113 1.00 0.00 H new ATOM 0 HG3 MET A 105 -19.010 -20.844 -0.119 1.00 0.00 H new ATOM 0 HE1 MET A 105 -22.084 -22.071 1.779 1.00 0.00 H new ATOM 0 HE2 MET A 105 -21.063 -22.210 0.328 1.00 0.00 H new ATOM 0 HE3 MET A 105 -20.739 -23.236 1.745 1.00 0.00 H new ATOM 1492 N ASN A 106 -14.721 -21.930 0.813 1.00 0.00 N ATOM 1493 CA ASN A 106 -13.560 -21.074 1.051 1.00 0.00 C ATOM 1494 C ASN A 106 -12.790 -20.874 -0.254 1.00 0.00 C ATOM 1495 O ASN A 106 -12.273 -19.793 -0.532 1.00 0.00 O ATOM 1496 CB ASN A 106 -12.648 -21.701 2.116 1.00 0.00 C ATOM 1497 CG ASN A 106 -11.385 -20.893 2.383 1.00 0.00 C ATOM 1498 OD1 ASN A 106 -11.373 -19.669 2.280 1.00 0.00 O ATOM 1499 ND2 ASN A 106 -10.307 -21.579 2.740 1.00 0.00 N ATOM 0 H ASN A 106 -14.677 -22.839 1.273 1.00 0.00 H new ATOM 0 HA ASN A 106 -13.901 -20.104 1.414 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -13.207 -21.806 3.046 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -12.368 -22.705 1.798 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -9.434 -21.090 2.938 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -10.351 -22.595 2.816 1.00 0.00 H new ATOM 1506 N ILE A 107 -12.763 -21.922 -1.067 1.00 0.00 N ATOM 1507 CA ILE A 107 -12.030 -21.910 -2.328 1.00 0.00 C ATOM 1508 C ILE A 107 -12.758 -21.078 -3.386 1.00 0.00 C ATOM 1509 O ILE A 107 -12.180 -20.162 -3.972 1.00 0.00 O ATOM 1510 CB ILE A 107 -11.825 -23.342 -2.856 1.00 0.00 C ATOM 1511 CG1 ILE A 107 -11.189 -24.219 -1.769 1.00 0.00 C ATOM 1512 CG2 ILE A 107 -10.959 -23.329 -4.111 1.00 0.00 C ATOM 1513 CD1 ILE A 107 -11.102 -25.684 -2.141 1.00 0.00 C ATOM 0 H ILE A 107 -13.245 -22.800 -0.873 1.00 0.00 H new ATOM 0 HA ILE A 107 -11.058 -21.456 -2.133 1.00 0.00 H new ATOM 0 HB ILE A 107 -12.796 -23.762 -3.117 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -10.187 -23.848 -1.556 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -11.768 -24.120 -0.851 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -10.824 -24.349 -4.471 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -11.446 -22.733 -4.883 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -9.987 -22.895 -3.878 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -10.642 -26.240 -1.324 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -12.103 -26.073 -2.326 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -10.498 -25.796 -3.041 1.00 0.00 H new ATOM 1525 N TRP A 108 -14.029 -21.395 -3.622 1.00 0.00 N ATOM 1526 CA TRP A 108 -14.824 -20.699 -4.635 1.00 0.00 C ATOM 1527 C TRP A 108 -14.942 -19.207 -4.319 1.00 0.00 C ATOM 1528 O TRP A 108 -14.747 -18.356 -5.188 1.00 0.00 O ATOM 1529 CB TRP A 108 -16.221 -21.326 -4.736 1.00 0.00 C ATOM 1530 CG TRP A 108 -17.161 -20.557 -5.620 1.00 0.00 C ATOM 1531 CD1 TRP A 108 -17.254 -20.622 -6.981 1.00 0.00 C ATOM 1532 CD2 TRP A 108 -18.143 -19.604 -5.195 1.00 0.00 C ATOM 1533 NE1 TRP A 108 -18.229 -19.762 -7.427 1.00 0.00 N ATOM 1534 CE2 TRP A 108 -18.789 -19.126 -6.351 1.00 0.00 C ATOM 1535 CE3 TRP A 108 -18.535 -19.107 -3.947 1.00 0.00 C ATOM 1536 CZ2 TRP A 108 -19.805 -18.175 -6.292 1.00 0.00 C ATOM 1537 CZ3 TRP A 108 -19.543 -18.163 -3.892 1.00 0.00 C ATOM 1538 CH2 TRP A 108 -20.167 -17.705 -5.058 1.00 0.00 C ATOM 0 H TRP A 108 -14.532 -22.130 -3.126 1.00 0.00 H new ATOM 0 HA TRP A 108 -14.313 -20.804 -5.592 1.00 0.00 H new ATOM 0 HB2 TRP A 108 -16.127 -22.343 -5.117 1.00 0.00 H new ATOM 0 HB3 TRP A 108 -16.651 -21.398 -3.737 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -16.650 -21.256 -7.614 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -18.493 -19.620 -8.402 1.00 0.00 H new ATOM 0 HE3 TRP A 108 -18.058 -19.455 -3.043 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -20.291 -17.820 -7.189 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 -19.854 -17.773 -2.934 1.00 0.00 H new ATOM 0 HH2 TRP A 108 -20.950 -16.965 -4.983 1.00 0.00 H new ATOM 1549 N LEU A 109 -15.255 -18.901 -3.072 1.00 0.00 N ATOM 1550 CA LEU A 109 -15.451 -17.527 -2.642 1.00 0.00 C ATOM 1551 C LEU A 109 -14.155 -16.738 -2.783 1.00 0.00 C ATOM 1552 O LEU A 109 -14.170 -15.564 -3.144 1.00 0.00 O ATOM 1553 CB LEU A 109 -15.934 -17.500 -1.190 1.00 0.00 C ATOM 1554 CG LEU A 109 -16.445 -16.152 -0.693 1.00 0.00 C ATOM 1555 CD1 LEU A 109 -17.660 -15.716 -1.496 1.00 0.00 C ATOM 1556 CD2 LEU A 109 -16.785 -16.233 0.788 1.00 0.00 C ATOM 0 H LEU A 109 -15.380 -19.593 -2.333 1.00 0.00 H new ATOM 0 HA LEU A 109 -16.208 -17.064 -3.275 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -16.731 -18.235 -1.077 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -15.114 -17.818 -0.547 1.00 0.00 H new ATOM 0 HG LEU A 109 -15.659 -15.409 -0.829 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -18.012 -14.752 -1.129 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -17.388 -15.626 -2.548 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -18.452 -16.457 -1.388 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -17.149 -15.265 1.131 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -17.557 -16.986 0.943 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -15.893 -16.506 1.352 1.00 0.00 H new ATOM 1568 N HIS A 110 -13.037 -17.411 -2.523 1.00 0.00 N ATOM 1569 CA HIS A 110 -11.720 -16.789 -2.603 1.00 0.00 C ATOM 1570 C HIS A 110 -11.480 -16.190 -3.989 1.00 0.00 C ATOM 1571 O HIS A 110 -11.128 -15.015 -4.117 1.00 0.00 O ATOM 1572 CB HIS A 110 -10.631 -17.824 -2.285 1.00 0.00 C ATOM 1573 CG HIS A 110 -9.248 -17.254 -2.203 1.00 0.00 C ATOM 1574 ND1 HIS A 110 -8.335 -17.347 -3.229 1.00 0.00 N ATOM 1575 CD2 HIS A 110 -8.623 -16.589 -1.203 1.00 0.00 C ATOM 1576 CE1 HIS A 110 -7.207 -16.767 -2.866 1.00 0.00 C ATOM 1577 NE2 HIS A 110 -7.354 -16.298 -1.638 1.00 0.00 N ATOM 0 H HIS A 110 -13.019 -18.395 -2.253 1.00 0.00 H new ATOM 0 HA HIS A 110 -11.678 -15.983 -1.870 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -10.870 -18.307 -1.337 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -10.648 -18.599 -3.051 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -9.044 -16.335 -0.242 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -6.315 -16.688 -3.469 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -6.642 -15.802 -1.102 1.00 0.00 H new ATOM 1586 N LYS A 111 -11.692 -16.996 -5.022 1.00 0.00 N ATOM 1587 CA LYS A 111 -11.420 -16.567 -6.389 1.00 0.00 C ATOM 1588 C LYS A 111 -12.429 -15.519 -6.862 1.00 0.00 C ATOM 1589 O LYS A 111 -12.083 -14.623 -7.632 1.00 0.00 O ATOM 1590 CB LYS A 111 -11.397 -17.770 -7.341 1.00 0.00 C ATOM 1591 CG LYS A 111 -12.679 -18.582 -7.360 1.00 0.00 C ATOM 1592 CD LYS A 111 -12.510 -19.925 -8.066 1.00 0.00 C ATOM 1593 CE LYS A 111 -12.115 -19.773 -9.531 1.00 0.00 C ATOM 1594 NZ LYS A 111 -10.639 -19.724 -9.723 1.00 0.00 N ATOM 0 H LYS A 111 -12.050 -17.947 -4.940 1.00 0.00 H new ATOM 0 HA LYS A 111 -10.435 -16.101 -6.398 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -11.192 -17.414 -8.351 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -10.572 -18.424 -7.060 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -13.012 -18.753 -6.336 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -13.461 -18.009 -7.858 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -11.750 -20.510 -7.548 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -13.443 -20.485 -8.001 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -12.525 -20.606 -10.102 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -12.560 -18.862 -9.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -10.388 -18.878 -10.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -10.169 -19.686 -8.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -10.327 -20.574 -10.234 1.00 0.00 H new ATOM 1608 N GLN A 112 -13.667 -15.615 -6.386 1.00 0.00 N ATOM 1609 CA GLN A 112 -14.700 -14.653 -6.770 1.00 0.00 C ATOM 1610 C GLN A 112 -14.354 -13.263 -6.242 1.00 0.00 C ATOM 1611 O GLN A 112 -14.421 -12.275 -6.976 1.00 0.00 O ATOM 1612 CB GLN A 112 -16.077 -15.083 -6.258 1.00 0.00 C ATOM 1613 CG GLN A 112 -16.550 -16.425 -6.791 1.00 0.00 C ATOM 1614 CD GLN A 112 -16.525 -16.505 -8.304 1.00 0.00 C ATOM 1615 OE1 GLN A 112 -15.414 -16.970 -8.847 1.00 0.00 O flip ATOM 1616 NE2 GLN A 112 -17.500 -16.166 -8.978 1.00 0.00 N flip ATOM 0 H GLN A 112 -13.979 -16.340 -5.740 1.00 0.00 H new ATOM 0 HA GLN A 112 -14.738 -14.621 -7.859 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -16.050 -15.127 -5.169 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -16.807 -14.320 -6.528 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -15.920 -17.215 -6.381 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -17.565 -16.612 -6.440 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -18.339 -15.812 -8.519 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -17.468 -16.240 -9.995 1.00 0.00 H new ATOM 1625 N VAL A 113 -13.975 -13.196 -4.967 1.00 0.00 N ATOM 1626 CA VAL A 113 -13.544 -11.946 -4.357 1.00 0.00 C ATOM 1627 C VAL A 113 -12.323 -11.377 -5.080 1.00 0.00 C ATOM 1628 O VAL A 113 -12.196 -10.164 -5.228 1.00 0.00 O ATOM 1629 CB VAL A 113 -13.216 -12.127 -2.857 1.00 0.00 C ATOM 1630 CG1 VAL A 113 -12.745 -10.819 -2.236 1.00 0.00 C ATOM 1631 CG2 VAL A 113 -14.426 -12.659 -2.108 1.00 0.00 C ATOM 0 H VAL A 113 -13.959 -13.998 -4.337 1.00 0.00 H new ATOM 0 HA VAL A 113 -14.374 -11.245 -4.448 1.00 0.00 H new ATOM 0 HB VAL A 113 -12.406 -12.852 -2.777 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -12.522 -10.977 -1.181 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -11.847 -10.475 -2.749 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -13.529 -10.067 -2.333 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -14.177 -12.780 -1.054 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -15.253 -11.956 -2.207 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -14.717 -13.623 -2.525 1.00 0.00 H new ATOM 1641 N MET A 114 -11.442 -12.258 -5.557 1.00 0.00 N ATOM 1642 CA MET A 114 -10.247 -11.825 -6.282 1.00 0.00 C ATOM 1643 C MET A 114 -10.630 -11.011 -7.513 1.00 0.00 C ATOM 1644 O MET A 114 -9.993 -10.005 -7.832 1.00 0.00 O ATOM 1645 CB MET A 114 -9.398 -13.028 -6.710 1.00 0.00 C ATOM 1646 CG MET A 114 -8.685 -13.730 -5.565 1.00 0.00 C ATOM 1647 SD MET A 114 -7.722 -15.155 -6.120 1.00 0.00 S ATOM 1648 CE MET A 114 -6.578 -14.372 -7.258 1.00 0.00 C ATOM 0 H MET A 114 -11.532 -13.269 -5.455 1.00 0.00 H new ATOM 0 HA MET A 114 -9.660 -11.201 -5.608 1.00 0.00 H new ATOM 0 HB2 MET A 114 -10.039 -13.748 -7.219 1.00 0.00 H new ATOM 0 HB3 MET A 114 -8.655 -12.694 -7.435 1.00 0.00 H new ATOM 0 HG2 MET A 114 -8.025 -13.022 -5.064 1.00 0.00 H new ATOM 0 HG3 MET A 114 -9.420 -14.056 -4.829 1.00 0.00 H new ATOM 0 HE1 MET A 114 -5.714 -15.020 -7.409 1.00 0.00 H new ATOM 0 HE2 MET A 114 -7.075 -14.201 -8.213 1.00 0.00 H new ATOM 0 HE3 MET A 114 -6.249 -13.419 -6.845 1.00 0.00 H new ATOM 1658 N SER A 115 -11.697 -11.438 -8.175 1.00 0.00 N ATOM 1659 CA SER A 115 -12.158 -10.799 -9.397 1.00 0.00 C ATOM 1660 C SER A 115 -12.750 -9.418 -9.111 1.00 0.00 C ATOM 1661 O SER A 115 -12.900 -8.600 -10.017 1.00 0.00 O ATOM 1662 CB SER A 115 -13.197 -11.692 -10.085 1.00 0.00 C ATOM 1663 OG SER A 115 -13.603 -11.153 -11.332 1.00 0.00 O ATOM 0 H SER A 115 -12.264 -12.233 -7.881 1.00 0.00 H new ATOM 0 HA SER A 115 -11.303 -10.663 -10.059 1.00 0.00 H new ATOM 0 HB2 SER A 115 -12.779 -12.687 -10.237 1.00 0.00 H new ATOM 0 HB3 SER A 115 -14.066 -11.806 -9.437 1.00 0.00 H new ATOM 0 HG SER A 115 -14.264 -11.747 -11.745 1.00 0.00 H new ATOM 1669 N LYS A 116 -13.082 -9.162 -7.853 1.00 0.00 N ATOM 1670 CA LYS A 116 -13.664 -7.883 -7.467 1.00 0.00 C ATOM 1671 C LYS A 116 -12.621 -7.004 -6.793 1.00 0.00 C ATOM 1672 O LYS A 116 -12.828 -5.809 -6.607 1.00 0.00 O ATOM 1673 CB LYS A 116 -14.835 -8.097 -6.500 1.00 0.00 C ATOM 1674 CG LYS A 116 -15.863 -9.110 -6.975 1.00 0.00 C ATOM 1675 CD LYS A 116 -16.527 -8.688 -8.275 1.00 0.00 C ATOM 1676 CE LYS A 116 -17.614 -9.670 -8.671 1.00 0.00 C ATOM 1677 NZ LYS A 116 -18.255 -9.309 -9.960 1.00 0.00 N ATOM 0 H LYS A 116 -12.959 -9.821 -7.084 1.00 0.00 H new ATOM 0 HA LYS A 116 -14.023 -7.392 -8.371 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -14.441 -8.422 -5.537 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -15.333 -7.142 -6.335 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -15.380 -10.077 -7.113 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -16.624 -9.240 -6.206 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -16.955 -7.692 -8.163 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -15.780 -8.627 -9.067 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -17.187 -10.670 -8.747 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -18.372 -9.706 -7.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -18.990 -10.008 -10.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -18.686 -8.366 -9.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -17.538 -9.300 -10.714 1.00 0.00 H new ATOM 1691 N LEU A 117 -11.495 -7.599 -6.440 1.00 0.00 N ATOM 1692 CA LEU A 117 -10.508 -6.927 -5.614 1.00 0.00 C ATOM 1693 C LEU A 117 -9.308 -6.479 -6.447 1.00 0.00 C ATOM 1694 O LEU A 117 -9.213 -5.319 -6.851 1.00 0.00 O ATOM 1695 CB LEU A 117 -10.049 -7.869 -4.492 1.00 0.00 C ATOM 1696 CG LEU A 117 -9.736 -7.213 -3.141 1.00 0.00 C ATOM 1697 CD1 LEU A 117 -9.277 -8.265 -2.147 1.00 0.00 C ATOM 1698 CD2 LEU A 117 -8.681 -6.130 -3.283 1.00 0.00 C ATOM 0 H LEU A 117 -11.241 -8.548 -6.713 1.00 0.00 H new ATOM 0 HA LEU A 117 -10.967 -6.039 -5.179 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -10.824 -8.620 -4.337 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -9.158 -8.397 -4.831 1.00 0.00 H new ATOM 0 HG LEU A 117 -10.649 -6.744 -2.773 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -9.057 -7.791 -1.191 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -10.065 -9.006 -2.012 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -8.379 -8.755 -2.524 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -8.482 -5.685 -2.308 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -7.763 -6.566 -3.677 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -9.039 -5.360 -3.966 1.00 0.00 H new ATOM 1710 N VAL A 118 -8.417 -7.423 -6.743 1.00 0.00 N ATOM 1711 CA VAL A 118 -7.136 -7.109 -7.376 1.00 0.00 C ATOM 1712 C VAL A 118 -7.299 -6.736 -8.847 1.00 0.00 C ATOM 1713 O VAL A 118 -6.366 -6.234 -9.473 1.00 0.00 O ATOM 1714 CB VAL A 118 -6.145 -8.286 -7.250 1.00 0.00 C ATOM 1715 CG1 VAL A 118 -5.809 -8.554 -5.788 1.00 0.00 C ATOM 1716 CG2 VAL A 118 -6.705 -9.540 -7.911 1.00 0.00 C ATOM 0 H VAL A 118 -8.559 -8.415 -6.554 1.00 0.00 H new ATOM 0 HA VAL A 118 -6.735 -6.245 -6.846 1.00 0.00 H new ATOM 0 HB VAL A 118 -5.226 -8.011 -7.767 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -5.109 -9.387 -5.722 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -5.356 -7.665 -5.350 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -6.721 -8.802 -5.245 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -5.989 -10.356 -7.809 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -7.642 -9.818 -7.429 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -6.885 -9.345 -8.968 1.00 0.00 H new ATOM 1726 N ALA A 119 -8.491 -6.960 -9.387 1.00 0.00 N ATOM 1727 CA ALA A 119 -8.774 -6.641 -10.781 1.00 0.00 C ATOM 1728 C ALA A 119 -8.820 -5.130 -11.003 1.00 0.00 C ATOM 1729 O ALA A 119 -8.814 -4.661 -12.138 1.00 0.00 O ATOM 1730 CB ALA A 119 -10.087 -7.282 -11.208 1.00 0.00 C ATOM 0 H ALA A 119 -9.279 -7.362 -8.879 1.00 0.00 H new ATOM 0 HA ALA A 119 -7.967 -7.044 -11.393 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -10.289 -7.038 -12.251 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -10.017 -8.364 -11.096 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -10.896 -6.904 -10.583 1.00 0.00 H new ATOM 1736 N ASN A 120 -8.846 -4.376 -9.909 1.00 0.00 N ATOM 1737 CA ASN A 120 -8.928 -2.919 -9.981 1.00 0.00 C ATOM 1738 C ASN A 120 -7.547 -2.280 -10.091 1.00 0.00 C ATOM 1739 O ASN A 120 -7.408 -1.063 -9.985 1.00 0.00 O ATOM 1740 CB ASN A 120 -9.653 -2.357 -8.754 1.00 0.00 C ATOM 1741 CG ASN A 120 -11.116 -2.750 -8.694 1.00 0.00 C ATOM 1742 OD1 ASN A 120 -11.974 -2.083 -9.272 1.00 0.00 O ATOM 1743 ND2 ASN A 120 -11.411 -3.822 -7.974 1.00 0.00 N ATOM 0 H ASN A 120 -8.811 -4.749 -8.960 1.00 0.00 H new ATOM 0 HA ASN A 120 -9.492 -2.674 -10.881 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -9.152 -2.707 -7.852 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -9.575 -1.270 -8.760 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -12.381 -4.124 -7.882 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -10.668 -4.346 -7.511 1.00 0.00 H new ATOM 1750 N GLY A 121 -6.529 -3.097 -10.313 1.00 0.00 N ATOM 1751 CA GLY A 121 -5.183 -2.571 -10.437 1.00 0.00 C ATOM 1752 C GLY A 121 -4.302 -2.950 -9.265 1.00 0.00 C ATOM 1753 O GLY A 121 -3.268 -2.321 -9.023 1.00 0.00 O ATOM 0 H GLY A 121 -6.608 -4.109 -10.409 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -4.735 -2.942 -11.359 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -5.227 -1.485 -10.518 1.00 0.00 H new ATOM 1757 N GLY A 122 -4.723 -3.966 -8.529 1.00 0.00 N ATOM 1758 CA GLY A 122 -3.926 -4.463 -7.429 1.00 0.00 C ATOM 1759 C GLY A 122 -2.804 -5.371 -7.899 1.00 0.00 C ATOM 1760 O GLY A 122 -3.010 -6.239 -8.747 1.00 0.00 O ATOM 0 H GLY A 122 -5.605 -4.457 -8.675 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -3.504 -3.622 -6.879 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -4.566 -5.008 -6.736 1.00 0.00 H new ATOM 1764 N LYS A 123 -1.618 -5.163 -7.347 1.00 0.00 N ATOM 1765 CA LYS A 123 -0.450 -5.960 -7.686 1.00 0.00 C ATOM 1766 C LYS A 123 -0.337 -7.148 -6.741 1.00 0.00 C ATOM 1767 O LYS A 123 -0.336 -6.977 -5.521 1.00 0.00 O ATOM 1768 CB LYS A 123 0.820 -5.108 -7.576 1.00 0.00 C ATOM 1769 CG LYS A 123 2.076 -5.803 -8.082 1.00 0.00 C ATOM 1770 CD LYS A 123 3.336 -5.227 -7.448 1.00 0.00 C ATOM 1771 CE LYS A 123 3.471 -3.729 -7.681 1.00 0.00 C ATOM 1772 NZ LYS A 123 4.598 -3.154 -6.896 1.00 0.00 N ATOM 0 H LYS A 123 -1.439 -4.438 -6.652 1.00 0.00 H new ATOM 0 HA LYS A 123 -0.560 -6.318 -8.710 1.00 0.00 H new ATOM 0 HB2 LYS A 123 0.676 -4.185 -8.138 1.00 0.00 H new ATOM 0 HB3 LYS A 123 0.968 -4.827 -6.533 1.00 0.00 H new ATOM 0 HG2 LYS A 123 2.014 -6.869 -7.864 1.00 0.00 H new ATOM 0 HG3 LYS A 123 2.136 -5.702 -9.166 1.00 0.00 H new ATOM 0 HD2 LYS A 123 3.323 -5.425 -6.376 1.00 0.00 H new ATOM 0 HD3 LYS A 123 4.210 -5.735 -7.856 1.00 0.00 H new ATOM 0 HE2 LYS A 123 3.631 -3.538 -8.742 1.00 0.00 H new ATOM 0 HE3 LYS A 123 2.542 -3.231 -7.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 4.815 -2.200 -7.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 4.330 -3.100 -5.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 5.437 -3.760 -6.998 1.00 0.00 H new ATOM 1786 N LEU A 124 -0.264 -8.344 -7.303 1.00 0.00 N ATOM 1787 CA LEU A 124 -0.044 -9.545 -6.517 1.00 0.00 C ATOM 1788 C LEU A 124 0.999 -10.429 -7.184 1.00 0.00 C ATOM 1789 O LEU A 124 1.158 -10.397 -8.405 1.00 0.00 O ATOM 1790 CB LEU A 124 -1.356 -10.338 -6.233 1.00 0.00 C ATOM 1791 CG LEU A 124 -2.265 -10.775 -7.418 1.00 0.00 C ATOM 1792 CD1 LEU A 124 -2.787 -9.592 -8.218 1.00 0.00 C ATOM 1793 CD2 LEU A 124 -1.572 -11.774 -8.335 1.00 0.00 C ATOM 0 H LEU A 124 -0.355 -8.508 -8.306 1.00 0.00 H new ATOM 0 HA LEU A 124 0.331 -9.225 -5.545 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -1.080 -11.239 -5.685 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -1.965 -9.731 -5.562 1.00 0.00 H new ATOM 0 HG LEU A 124 -3.123 -11.272 -6.966 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -3.415 -9.952 -9.032 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -3.373 -8.943 -7.567 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -1.947 -9.031 -8.629 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -2.245 -12.050 -9.147 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -0.670 -11.323 -8.748 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -1.305 -12.665 -7.767 1.00 0.00 H new ATOM 1805 N PRO A 125 1.762 -11.188 -6.391 1.00 0.00 N ATOM 1806 CA PRO A 125 2.641 -12.220 -6.922 1.00 0.00 C ATOM 1807 C PRO A 125 1.825 -13.406 -7.437 1.00 0.00 C ATOM 1808 O PRO A 125 0.731 -13.672 -6.933 1.00 0.00 O ATOM 1809 CB PRO A 125 3.500 -12.622 -5.720 1.00 0.00 C ATOM 1810 CG PRO A 125 2.683 -12.265 -4.525 1.00 0.00 C ATOM 1811 CD PRO A 125 1.839 -11.083 -4.924 1.00 0.00 C ATOM 0 HA PRO A 125 3.240 -11.878 -7.766 1.00 0.00 H new ATOM 0 HB2 PRO A 125 3.729 -13.688 -5.737 1.00 0.00 H new ATOM 0 HB3 PRO A 125 4.452 -12.091 -5.720 1.00 0.00 H new ATOM 0 HG2 PRO A 125 2.057 -13.103 -4.218 1.00 0.00 H new ATOM 0 HG3 PRO A 125 3.322 -12.017 -3.678 1.00 0.00 H new ATOM 0 HD2 PRO A 125 0.850 -11.125 -4.467 1.00 0.00 H new ATOM 0 HD3 PRO A 125 2.294 -10.143 -4.613 1.00 0.00 H new ATOM 1819 N PRO A 126 2.346 -14.137 -8.437 1.00 0.00 N ATOM 1820 CA PRO A 126 1.630 -15.259 -9.073 1.00 0.00 C ATOM 1821 C PRO A 126 1.366 -16.429 -8.121 1.00 0.00 C ATOM 1822 O PRO A 126 0.898 -17.489 -8.538 1.00 0.00 O ATOM 1823 CB PRO A 126 2.566 -15.694 -10.208 1.00 0.00 C ATOM 1824 CG PRO A 126 3.505 -14.555 -10.402 1.00 0.00 C ATOM 1825 CD PRO A 126 3.663 -13.918 -9.054 1.00 0.00 C ATOM 0 HA PRO A 126 0.640 -14.951 -9.409 1.00 0.00 H new ATOM 0 HB2 PRO A 126 3.103 -16.606 -9.947 1.00 0.00 H new ATOM 0 HB3 PRO A 126 2.007 -15.903 -11.120 1.00 0.00 H new ATOM 0 HG2 PRO A 126 4.465 -14.901 -10.785 1.00 0.00 H new ATOM 0 HG3 PRO A 126 3.111 -13.843 -11.127 1.00 0.00 H new ATOM 0 HD2 PRO A 126 4.463 -14.383 -8.478 1.00 0.00 H new ATOM 0 HD3 PRO A 126 3.902 -12.857 -9.133 1.00 0.00 H new