USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 608 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 2 GLN : amide:sc= -3.21! C(o=-3!,f=-3.1!) USER MOD Set 1.2: A 3 HIS : no HD1:sc= -0.0887 K(o=-3,f=-5.7) USER MOD Set 1.3: A 81 THR OG1 : rot -80:sc= 0.276 USER MOD Single : A 1 MET CE :methyl -146:sc= -0.254 (180deg=-1.72!) USER MOD Single : A 1 MET N :NH3+ -167:sc= 0 (180deg=-0.118) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -5.74! C(o=-5.7!,f=-6.4!) USER MOD Single : A 33 ASN :FLIP amide:sc= 0 F(o=-0.93,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= -0.0431 USER MOD Single : A 65 HIS : no HE2:sc= -4.16! C(o=-4.2!,f=-6.8!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.273 14.961 2.324 1.00 0.00 N ATOM 2 CA MET A 1 0.549 13.723 3.105 1.00 0.00 C ATOM 3 C MET A 1 -0.593 13.461 4.085 1.00 0.00 C ATOM 4 O MET A 1 -0.502 13.759 5.259 1.00 0.00 O ATOM 5 CB MET A 1 1.859 13.884 3.875 1.00 0.00 C ATOM 6 CG MET A 1 3.027 13.786 2.897 1.00 0.00 C ATOM 7 SD MET A 1 4.590 13.905 3.803 1.00 0.00 S ATOM 8 CE MET A 1 4.330 15.559 4.490 1.00 0.00 C ATOM 0 H1 MET A 1 0.928 15.016 1.518 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.706 14.939 1.973 1.00 0.00 H new ATOM 0 H3 MET A 1 0.404 15.793 2.934 1.00 0.00 H new ATOM 0 HA MET A 1 0.632 12.879 2.420 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.878 14.845 4.389 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.943 13.112 4.640 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.981 12.842 2.354 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.962 14.584 2.157 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.285 16.081 4.554 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.653 16.119 3.844 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.895 15.475 5.486 1.00 0.00 H new ATOM 20 N GLN A 2 -1.664 12.894 3.609 1.00 0.00 N ATOM 21 CA GLN A 2 -2.813 12.597 4.508 1.00 0.00 C ATOM 22 C GLN A 2 -2.708 11.146 4.978 1.00 0.00 C ATOM 23 O GLN A 2 -2.710 10.226 4.184 1.00 0.00 O ATOM 24 CB GLN A 2 -4.124 12.797 3.745 1.00 0.00 C ATOM 25 CG GLN A 2 -5.305 12.562 4.686 1.00 0.00 C ATOM 26 CD GLN A 2 -6.613 12.831 3.941 1.00 0.00 C ATOM 27 OE1 GLN A 2 -6.603 13.297 2.819 1.00 0.00 O ATOM 28 NE2 GLN A 2 -7.749 12.556 4.522 1.00 0.00 N ATOM 0 H GLN A 2 -1.794 12.623 2.634 1.00 0.00 H new ATOM 0 HA GLN A 2 -2.795 13.266 5.368 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -4.168 13.806 3.335 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -4.175 12.108 2.902 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -5.290 11.537 5.057 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -5.228 13.216 5.554 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -7.759 12.165 5.464 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -8.627 12.732 4.034 1.00 0.00 H new ATOM 37 N HIS A 3 -2.602 10.931 6.261 1.00 0.00 N ATOM 38 CA HIS A 3 -2.483 9.536 6.769 1.00 0.00 C ATOM 39 C HIS A 3 -1.306 8.854 6.069 1.00 0.00 C ATOM 40 O HIS A 3 -1.304 7.658 5.856 1.00 0.00 O ATOM 41 CB HIS A 3 -3.774 8.769 6.471 1.00 0.00 C ATOM 42 CG HIS A 3 -4.942 9.501 7.072 1.00 0.00 C ATOM 43 ND1 HIS A 3 -6.252 9.246 6.688 1.00 0.00 N ATOM 44 CD2 HIS A 3 -5.016 10.482 8.031 1.00 0.00 C ATOM 45 CE1 HIS A 3 -7.050 10.058 7.407 1.00 0.00 C ATOM 46 NE2 HIS A 3 -6.346 10.828 8.238 1.00 0.00 N ATOM 0 H HIS A 3 -2.593 11.658 6.976 1.00 0.00 H new ATOM 0 HA HIS A 3 -2.316 9.547 7.846 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -3.909 8.668 5.394 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -3.713 7.761 6.880 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -4.171 10.917 8.545 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -8.126 10.083 7.321 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -6.708 11.525 8.889 1.00 0.00 H new ATOM 55 N ALA A 4 -0.307 9.612 5.705 1.00 0.00 N ATOM 56 CA ALA A 4 0.872 9.020 5.013 1.00 0.00 C ATOM 57 C ALA A 4 1.550 7.998 5.929 1.00 0.00 C ATOM 58 O ALA A 4 2.062 6.992 5.479 1.00 0.00 O ATOM 59 CB ALA A 4 1.868 10.130 4.669 1.00 0.00 C ATOM 0 H ALA A 4 -0.257 10.619 5.858 1.00 0.00 H new ATOM 0 HA ALA A 4 0.543 8.524 4.100 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.732 9.700 4.162 1.00 0.00 H new ATOM 0 HB2 ALA A 4 1.389 10.858 4.014 1.00 0.00 H new ATOM 0 HB3 ALA A 4 2.193 10.624 5.585 1.00 0.00 H new ATOM 65 N SER A 5 1.563 8.249 7.209 1.00 0.00 N ATOM 66 CA SER A 5 2.215 7.294 8.149 1.00 0.00 C ATOM 67 C SER A 5 1.491 5.946 8.107 1.00 0.00 C ATOM 68 O SER A 5 2.092 4.905 8.283 1.00 0.00 O ATOM 69 CB SER A 5 2.156 7.857 9.569 1.00 0.00 C ATOM 70 OG SER A 5 0.806 7.866 10.015 1.00 0.00 O ATOM 0 H SER A 5 1.150 9.074 7.645 1.00 0.00 H new ATOM 0 HA SER A 5 3.254 7.153 7.853 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.768 7.252 10.238 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.565 8.867 9.589 1.00 0.00 H new ATOM 0 HG SER A 5 0.765 8.225 10.926 1.00 0.00 H new ATOM 76 N VAL A 6 0.207 5.954 7.875 1.00 0.00 N ATOM 77 CA VAL A 6 -0.544 4.668 7.823 1.00 0.00 C ATOM 78 C VAL A 6 -0.048 3.837 6.642 1.00 0.00 C ATOM 79 O VAL A 6 0.111 2.638 6.736 1.00 0.00 O ATOM 80 CB VAL A 6 -2.036 4.949 7.654 1.00 0.00 C ATOM 81 CG1 VAL A 6 -2.783 3.631 7.434 1.00 0.00 C ATOM 82 CG2 VAL A 6 -2.575 5.637 8.911 1.00 0.00 C ATOM 0 H VAL A 6 -0.353 6.792 7.720 1.00 0.00 H new ATOM 0 HA VAL A 6 -0.382 4.119 8.751 1.00 0.00 H new ATOM 0 HB VAL A 6 -2.185 5.600 6.793 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.848 3.832 7.313 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -2.402 3.142 6.537 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.632 2.979 8.294 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.640 5.837 8.788 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.424 4.988 9.774 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -2.045 6.577 9.067 1.00 0.00 H new ATOM 92 N ILE A 7 0.195 4.464 5.529 1.00 0.00 N ATOM 93 CA ILE A 7 0.677 3.709 4.341 1.00 0.00 C ATOM 94 C ILE A 7 1.998 3.016 4.672 1.00 0.00 C ATOM 95 O ILE A 7 2.211 1.870 4.332 1.00 0.00 O ATOM 96 CB ILE A 7 0.882 4.679 3.181 1.00 0.00 C ATOM 97 CG1 ILE A 7 -0.445 5.372 2.869 1.00 0.00 C ATOM 98 CG2 ILE A 7 1.360 3.911 1.947 1.00 0.00 C ATOM 99 CD1 ILE A 7 -0.212 6.480 1.845 1.00 0.00 C ATOM 0 H ILE A 7 0.081 5.468 5.389 1.00 0.00 H new ATOM 0 HA ILE A 7 -0.060 2.956 4.063 1.00 0.00 H new ATOM 0 HB ILE A 7 1.631 5.423 3.453 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.163 4.649 2.481 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -0.873 5.789 3.781 1.00 0.00 H new ATOM 0 HG21 ILE A 7 1.506 4.606 1.120 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.302 3.412 2.172 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.613 3.168 1.669 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.158 6.974 1.622 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.491 7.208 2.250 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.197 6.050 0.931 1.00 0.00 H new ATOM 111 N ALA A 8 2.887 3.700 5.338 1.00 0.00 N ATOM 112 CA ALA A 8 4.191 3.072 5.691 1.00 0.00 C ATOM 113 C ALA A 8 3.941 1.891 6.626 1.00 0.00 C ATOM 114 O ALA A 8 4.451 0.806 6.427 1.00 0.00 O ATOM 115 CB ALA A 8 5.080 4.098 6.394 1.00 0.00 C ATOM 0 H ALA A 8 2.768 4.663 5.652 1.00 0.00 H new ATOM 0 HA ALA A 8 4.688 2.726 4.785 1.00 0.00 H new ATOM 0 HB1 ALA A 8 6.034 3.637 6.652 1.00 0.00 H new ATOM 0 HB2 ALA A 8 5.254 4.945 5.730 1.00 0.00 H new ATOM 0 HB3 ALA A 8 4.587 4.445 7.302 1.00 0.00 H new ATOM 121 N GLN A 9 3.152 2.093 7.641 1.00 0.00 N ATOM 122 CA GLN A 9 2.856 0.984 8.586 1.00 0.00 C ATOM 123 C GLN A 9 1.990 -0.064 7.880 1.00 0.00 C ATOM 124 O GLN A 9 2.089 -1.244 8.143 1.00 0.00 O ATOM 125 CB GLN A 9 2.155 1.545 9.836 1.00 0.00 C ATOM 126 CG GLN A 9 0.639 1.355 9.746 1.00 0.00 C ATOM 127 CD GLN A 9 0.275 -0.094 10.072 1.00 0.00 C ATOM 128 OE1 GLN A 9 0.738 -0.643 11.052 1.00 0.00 O ATOM 129 NE2 GLN A 9 -0.544 -0.740 9.288 1.00 0.00 N ATOM 0 H GLN A 9 2.698 2.980 7.858 1.00 0.00 H new ATOM 0 HA GLN A 9 3.781 0.504 8.906 1.00 0.00 H new ATOM 0 HB2 GLN A 9 2.536 1.044 10.726 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.387 2.605 9.943 1.00 0.00 H new ATOM 0 HG2 GLN A 9 0.138 2.030 10.440 1.00 0.00 H new ATOM 0 HG3 GLN A 9 0.291 1.610 8.745 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -0.933 -0.279 8.465 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -0.796 -1.706 9.498 1.00 0.00 H new ATOM 138 N PHE A 10 1.139 0.359 6.987 1.00 0.00 N ATOM 139 CA PHE A 10 0.264 -0.612 6.272 1.00 0.00 C ATOM 140 C PHE A 10 1.124 -1.572 5.444 1.00 0.00 C ATOM 141 O PHE A 10 0.991 -2.775 5.536 1.00 0.00 O ATOM 142 CB PHE A 10 -0.678 0.160 5.343 1.00 0.00 C ATOM 143 CG PHE A 10 -1.715 -0.772 4.764 1.00 0.00 C ATOM 144 CD1 PHE A 10 -2.924 -0.973 5.439 1.00 0.00 C ATOM 145 CD2 PHE A 10 -1.473 -1.424 3.550 1.00 0.00 C ATOM 146 CE1 PHE A 10 -3.892 -1.828 4.900 1.00 0.00 C ATOM 147 CE2 PHE A 10 -2.442 -2.278 3.010 1.00 0.00 C ATOM 148 CZ PHE A 10 -3.651 -2.481 3.686 1.00 0.00 C ATOM 0 H PHE A 10 1.012 1.335 6.721 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.315 -1.186 6.996 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -1.167 0.963 5.894 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.108 0.626 4.540 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -3.110 -0.469 6.376 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -0.539 -1.269 3.030 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -4.825 -1.984 5.421 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -2.257 -2.780 2.072 1.00 0.00 H new ATOM 0 HZ PHE A 10 -4.398 -3.142 3.271 1.00 0.00 H new ATOM 158 N VAL A 11 2.002 -1.050 4.634 1.00 0.00 N ATOM 159 CA VAL A 11 2.868 -1.933 3.797 1.00 0.00 C ATOM 160 C VAL A 11 3.946 -2.601 4.659 1.00 0.00 C ATOM 161 O VAL A 11 4.271 -3.757 4.477 1.00 0.00 O ATOM 162 CB VAL A 11 3.539 -1.097 2.706 1.00 0.00 C ATOM 163 CG1 VAL A 11 4.640 -0.237 3.326 1.00 0.00 C ATOM 164 CG2 VAL A 11 4.151 -2.029 1.658 1.00 0.00 C ATOM 0 H VAL A 11 2.159 -0.049 4.514 1.00 0.00 H new ATOM 0 HA VAL A 11 2.248 -2.708 3.345 1.00 0.00 H new ATOM 0 HB VAL A 11 2.798 -0.452 2.234 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.118 0.359 2.548 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.206 0.425 4.075 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.382 -0.881 3.798 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.630 -1.436 0.879 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.892 -2.672 2.132 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.367 -2.644 1.216 1.00 0.00 H new ATOM 174 N VAL A 12 4.512 -1.875 5.584 1.00 0.00 N ATOM 175 CA VAL A 12 5.583 -2.455 6.448 1.00 0.00 C ATOM 176 C VAL A 12 5.044 -3.647 7.239 1.00 0.00 C ATOM 177 O VAL A 12 5.705 -4.654 7.392 1.00 0.00 O ATOM 178 CB VAL A 12 6.075 -1.384 7.413 1.00 0.00 C ATOM 179 CG1 VAL A 12 6.994 -2.017 8.459 1.00 0.00 C ATOM 180 CG2 VAL A 12 6.846 -0.314 6.637 1.00 0.00 C ATOM 0 H VAL A 12 4.279 -0.902 5.780 1.00 0.00 H new ATOM 0 HA VAL A 12 6.404 -2.798 5.819 1.00 0.00 H new ATOM 0 HB VAL A 12 5.220 -0.927 7.912 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.345 -1.249 9.148 1.00 0.00 H new ATOM 0 HG12 VAL A 12 6.445 -2.778 9.013 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.849 -2.476 7.962 1.00 0.00 H new ATOM 0 HG21 VAL A 12 7.198 0.453 7.327 1.00 0.00 H new ATOM 0 HG22 VAL A 12 7.699 -0.772 6.136 1.00 0.00 H new ATOM 0 HG23 VAL A 12 6.190 0.140 5.894 1.00 0.00 H new ATOM 190 N GLU A 13 3.848 -3.543 7.741 1.00 0.00 N ATOM 191 CA GLU A 13 3.262 -4.666 8.520 1.00 0.00 C ATOM 192 C GLU A 13 3.171 -5.907 7.636 1.00 0.00 C ATOM 193 O GLU A 13 3.216 -7.027 8.106 1.00 0.00 O ATOM 194 CB GLU A 13 1.868 -4.269 8.981 1.00 0.00 C ATOM 195 CG GLU A 13 1.981 -3.265 10.124 1.00 0.00 C ATOM 196 CD GLU A 13 2.359 -3.993 11.414 1.00 0.00 C ATOM 197 OE1 GLU A 13 2.077 -5.176 11.507 1.00 0.00 O ATOM 198 OE2 GLU A 13 2.913 -3.353 12.293 1.00 0.00 O ATOM 0 H GLU A 13 3.248 -2.724 7.645 1.00 0.00 H new ATOM 0 HA GLU A 13 3.890 -4.885 9.383 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.309 -3.833 8.153 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.316 -5.150 9.309 1.00 0.00 H new ATOM 0 HG2 GLU A 13 2.732 -2.512 9.886 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.035 -2.740 10.255 1.00 0.00 H new ATOM 205 N GLU A 14 3.024 -5.710 6.359 1.00 0.00 N ATOM 206 CA GLU A 14 2.906 -6.864 5.427 1.00 0.00 C ATOM 207 C GLU A 14 4.206 -7.677 5.387 1.00 0.00 C ATOM 208 O GLU A 14 4.175 -8.870 5.156 1.00 0.00 O ATOM 209 CB GLU A 14 2.582 -6.347 4.024 1.00 0.00 C ATOM 210 CG GLU A 14 2.385 -7.529 3.072 1.00 0.00 C ATOM 211 CD GLU A 14 1.172 -8.349 3.516 1.00 0.00 C ATOM 212 OE1 GLU A 14 0.327 -7.798 4.201 1.00 0.00 O ATOM 213 OE2 GLU A 14 1.112 -9.517 3.168 1.00 0.00 O ATOM 0 H GLU A 14 2.980 -4.792 5.916 1.00 0.00 H new ATOM 0 HA GLU A 14 2.107 -7.516 5.781 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.681 -5.735 4.051 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.390 -5.709 3.665 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.240 -7.168 2.054 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.277 -8.155 3.064 1.00 0.00 H new ATOM 220 N PHE A 15 5.345 -7.058 5.588 1.00 0.00 N ATOM 221 CA PHE A 15 6.622 -7.837 5.532 1.00 0.00 C ATOM 222 C PHE A 15 7.508 -7.564 6.757 1.00 0.00 C ATOM 223 O PHE A 15 8.219 -8.443 7.203 1.00 0.00 O ATOM 224 CB PHE A 15 7.386 -7.489 4.250 1.00 0.00 C ATOM 225 CG PHE A 15 7.635 -6.002 4.172 1.00 0.00 C ATOM 226 CD1 PHE A 15 6.657 -5.155 3.638 1.00 0.00 C ATOM 227 CD2 PHE A 15 8.849 -5.472 4.622 1.00 0.00 C ATOM 228 CE1 PHE A 15 6.893 -3.777 3.555 1.00 0.00 C ATOM 229 CE2 PHE A 15 9.087 -4.095 4.539 1.00 0.00 C ATOM 230 CZ PHE A 15 8.108 -3.248 4.006 1.00 0.00 C ATOM 0 H PHE A 15 5.446 -6.062 5.785 1.00 0.00 H new ATOM 0 HA PHE A 15 6.367 -8.897 5.534 1.00 0.00 H new ATOM 0 HB2 PHE A 15 8.335 -8.025 4.228 1.00 0.00 H new ATOM 0 HB3 PHE A 15 6.816 -7.815 3.380 1.00 0.00 H new ATOM 0 HD1 PHE A 15 5.720 -5.564 3.290 1.00 0.00 H new ATOM 0 HD2 PHE A 15 9.603 -6.126 5.034 1.00 0.00 H new ATOM 0 HE1 PHE A 15 6.138 -3.123 3.143 1.00 0.00 H new ATOM 0 HE2 PHE A 15 10.025 -3.687 4.886 1.00 0.00 H new ATOM 0 HZ PHE A 15 8.290 -2.185 3.943 1.00 0.00 H new ATOM 240 N LEU A 16 7.486 -6.374 7.310 1.00 0.00 N ATOM 241 CA LEU A 16 8.352 -6.103 8.504 1.00 0.00 C ATOM 242 C LEU A 16 7.523 -5.489 9.646 1.00 0.00 C ATOM 243 O LEU A 16 7.540 -4.294 9.871 1.00 0.00 O ATOM 244 CB LEU A 16 9.478 -5.141 8.098 1.00 0.00 C ATOM 245 CG LEU A 16 10.832 -5.780 8.411 1.00 0.00 C ATOM 246 CD1 LEU A 16 11.061 -6.977 7.487 1.00 0.00 C ATOM 247 CD2 LEU A 16 11.942 -4.750 8.194 1.00 0.00 C ATOM 0 H LEU A 16 6.916 -5.590 6.993 1.00 0.00 H new ATOM 0 HA LEU A 16 8.778 -7.042 8.858 1.00 0.00 H new ATOM 0 HB2 LEU A 16 9.409 -4.912 7.035 1.00 0.00 H new ATOM 0 HB3 LEU A 16 9.376 -4.198 8.635 1.00 0.00 H new ATOM 0 HG LEU A 16 10.843 -6.116 9.448 1.00 0.00 H new ATOM 0 HD11 LEU A 16 12.026 -7.431 7.712 1.00 0.00 H new ATOM 0 HD12 LEU A 16 10.270 -7.711 7.640 1.00 0.00 H new ATOM 0 HD13 LEU A 16 11.050 -6.643 6.449 1.00 0.00 H new ATOM 0 HD21 LEU A 16 12.908 -5.204 8.417 1.00 0.00 H new ATOM 0 HD22 LEU A 16 11.929 -4.414 7.157 1.00 0.00 H new ATOM 0 HD23 LEU A 16 11.781 -3.897 8.854 1.00 0.00 H new ATOM 259 N PRO A 17 6.817 -6.311 10.381 1.00 0.00 N ATOM 260 CA PRO A 17 5.994 -5.877 11.535 1.00 0.00 C ATOM 261 C PRO A 17 6.740 -5.989 12.872 1.00 0.00 C ATOM 262 O PRO A 17 6.395 -5.339 13.839 1.00 0.00 O ATOM 263 CB PRO A 17 4.821 -6.859 11.511 1.00 0.00 C ATOM 264 CG PRO A 17 5.256 -8.022 10.664 1.00 0.00 C ATOM 265 CD PRO A 17 6.687 -7.751 10.191 1.00 0.00 C ATOM 0 HA PRO A 17 5.708 -4.828 11.455 1.00 0.00 H new ATOM 0 HB2 PRO A 17 4.568 -7.186 12.519 1.00 0.00 H new ATOM 0 HB3 PRO A 17 3.930 -6.389 11.096 1.00 0.00 H new ATOM 0 HG2 PRO A 17 5.213 -8.948 11.237 1.00 0.00 H new ATOM 0 HG3 PRO A 17 4.589 -8.143 9.811 1.00 0.00 H new ATOM 0 HD2 PRO A 17 7.420 -8.305 10.778 1.00 0.00 H new ATOM 0 HD3 PRO A 17 6.831 -8.037 9.149 1.00 0.00 H new ATOM 273 N ASP A 18 7.751 -6.817 12.942 1.00 0.00 N ATOM 274 CA ASP A 18 8.497 -6.972 14.221 1.00 0.00 C ATOM 275 C ASP A 18 9.421 -5.772 14.424 1.00 0.00 C ATOM 276 O ASP A 18 10.068 -5.635 15.443 1.00 0.00 O ATOM 277 CB ASP A 18 9.323 -8.259 14.166 1.00 0.00 C ATOM 278 CG ASP A 18 10.372 -8.153 13.057 1.00 0.00 C ATOM 279 OD1 ASP A 18 10.561 -7.062 12.546 1.00 0.00 O ATOM 280 OD2 ASP A 18 10.970 -9.168 12.737 1.00 0.00 O ATOM 0 H ASP A 18 8.089 -7.390 12.169 1.00 0.00 H new ATOM 0 HA ASP A 18 7.795 -7.025 15.053 1.00 0.00 H new ATOM 0 HB2 ASP A 18 9.811 -8.431 15.126 1.00 0.00 H new ATOM 0 HB3 ASP A 18 8.671 -9.113 13.983 1.00 0.00 H new ATOM 285 N VAL A 19 9.464 -4.893 13.465 1.00 0.00 N ATOM 286 CA VAL A 19 10.317 -3.678 13.586 1.00 0.00 C ATOM 287 C VAL A 19 9.400 -2.461 13.644 1.00 0.00 C ATOM 288 O VAL A 19 8.366 -2.434 13.007 1.00 0.00 O ATOM 289 CB VAL A 19 11.239 -3.568 12.370 1.00 0.00 C ATOM 290 CG1 VAL A 19 12.155 -2.354 12.533 1.00 0.00 C ATOM 291 CG2 VAL A 19 12.092 -4.834 12.260 1.00 0.00 C ATOM 0 H VAL A 19 8.940 -4.964 12.593 1.00 0.00 H new ATOM 0 HA VAL A 19 10.930 -3.736 14.485 1.00 0.00 H new ATOM 0 HB VAL A 19 10.637 -3.453 11.468 1.00 0.00 H new ATOM 0 HG11 VAL A 19 12.812 -2.275 11.667 1.00 0.00 H new ATOM 0 HG12 VAL A 19 11.551 -1.450 12.613 1.00 0.00 H new ATOM 0 HG13 VAL A 19 12.756 -2.470 13.435 1.00 0.00 H new ATOM 0 HG21 VAL A 19 12.749 -4.756 11.394 1.00 0.00 H new ATOM 0 HG22 VAL A 19 12.693 -4.947 13.162 1.00 0.00 H new ATOM 0 HG23 VAL A 19 11.442 -5.702 12.146 1.00 0.00 H new ATOM 301 N ALA A 20 9.746 -1.454 14.396 1.00 0.00 N ATOM 302 CA ALA A 20 8.850 -0.270 14.460 1.00 0.00 C ATOM 303 C ALA A 20 8.726 0.309 13.042 1.00 0.00 C ATOM 304 O ALA A 20 9.698 0.764 12.480 1.00 0.00 O ATOM 305 CB ALA A 20 9.469 0.783 15.383 1.00 0.00 C ATOM 0 H ALA A 20 10.595 -1.400 14.959 1.00 0.00 H new ATOM 0 HA ALA A 20 7.870 -0.553 14.844 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.815 1.653 15.433 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.592 0.364 16.382 1.00 0.00 H new ATOM 0 HB3 ALA A 20 10.442 1.082 14.993 1.00 0.00 H new ATOM 311 N PRO A 21 7.550 0.290 12.453 1.00 0.00 N ATOM 312 CA PRO A 21 7.364 0.824 11.077 1.00 0.00 C ATOM 313 C PRO A 21 7.699 2.316 10.984 1.00 0.00 C ATOM 314 O PRO A 21 8.043 2.820 9.934 1.00 0.00 O ATOM 315 CB PRO A 21 5.888 0.580 10.740 1.00 0.00 C ATOM 316 CG PRO A 21 5.261 -0.114 11.907 1.00 0.00 C ATOM 317 CD PRO A 21 6.298 -0.233 13.023 1.00 0.00 C ATOM 0 HA PRO A 21 8.036 0.329 10.377 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.381 1.524 10.539 1.00 0.00 H new ATOM 0 HB3 PRO A 21 5.797 -0.028 9.840 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.393 0.444 12.256 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.907 -1.102 11.613 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.997 0.339 13.901 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.414 -1.269 13.342 1.00 0.00 H new ATOM 325 N ALA A 22 7.603 3.024 12.074 1.00 0.00 N ATOM 326 CA ALA A 22 7.917 4.481 12.049 1.00 0.00 C ATOM 327 C ALA A 22 9.430 4.686 11.919 1.00 0.00 C ATOM 328 O ALA A 22 9.893 5.763 11.599 1.00 0.00 O ATOM 329 CB ALA A 22 7.425 5.129 13.345 1.00 0.00 C ATOM 0 H ALA A 22 7.320 2.657 12.983 1.00 0.00 H new ATOM 0 HA ALA A 22 7.418 4.941 11.196 1.00 0.00 H new ATOM 0 HB1 ALA A 22 7.654 6.195 13.329 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.348 4.990 13.435 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.923 4.664 14.196 1.00 0.00 H new ATOM 335 N ASP A 23 10.207 3.666 12.170 1.00 0.00 N ATOM 336 CA ASP A 23 11.687 3.814 12.065 1.00 0.00 C ATOM 337 C ASP A 23 12.157 3.313 10.701 1.00 0.00 C ATOM 338 O ASP A 23 13.338 3.176 10.450 1.00 0.00 O ATOM 339 CB ASP A 23 12.371 3.015 13.183 1.00 0.00 C ATOM 340 CG ASP A 23 12.155 1.510 12.978 1.00 0.00 C ATOM 341 OD1 ASP A 23 11.866 1.112 11.862 1.00 0.00 O ATOM 342 OD2 ASP A 23 12.284 0.780 13.947 1.00 0.00 O ATOM 0 H ASP A 23 9.881 2.739 12.443 1.00 0.00 H new ATOM 0 HA ASP A 23 11.952 4.866 12.170 1.00 0.00 H new ATOM 0 HB2 ASP A 23 13.438 3.237 13.196 1.00 0.00 H new ATOM 0 HB3 ASP A 23 11.971 3.317 14.151 1.00 0.00 H new ATOM 347 N VAL A 24 11.240 3.040 9.818 1.00 0.00 N ATOM 348 CA VAL A 24 11.630 2.550 8.469 1.00 0.00 C ATOM 349 C VAL A 24 11.623 3.727 7.499 1.00 0.00 C ATOM 350 O VAL A 24 10.743 4.565 7.532 1.00 0.00 O ATOM 351 CB VAL A 24 10.630 1.491 7.999 1.00 0.00 C ATOM 352 CG1 VAL A 24 11.082 0.927 6.651 1.00 0.00 C ATOM 353 CG2 VAL A 24 10.564 0.360 9.028 1.00 0.00 C ATOM 0 H VAL A 24 10.236 3.135 9.972 1.00 0.00 H new ATOM 0 HA VAL A 24 12.625 2.107 8.508 1.00 0.00 H new ATOM 0 HB VAL A 24 9.644 1.944 7.892 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.371 0.173 6.315 1.00 0.00 H new ATOM 0 HG12 VAL A 24 11.131 1.732 5.918 1.00 0.00 H new ATOM 0 HG13 VAL A 24 12.068 0.474 6.758 1.00 0.00 H new ATOM 0 HG21 VAL A 24 9.852 -0.395 8.694 1.00 0.00 H new ATOM 0 HG22 VAL A 24 11.550 -0.093 9.134 1.00 0.00 H new ATOM 0 HG23 VAL A 24 10.243 0.761 9.989 1.00 0.00 H new ATOM 363 N ASP A 25 12.599 3.809 6.642 1.00 0.00 N ATOM 364 CA ASP A 25 12.642 4.945 5.685 1.00 0.00 C ATOM 365 C ASP A 25 11.450 4.849 4.735 1.00 0.00 C ATOM 366 O ASP A 25 11.531 4.257 3.677 1.00 0.00 O ATOM 367 CB ASP A 25 13.942 4.886 4.881 1.00 0.00 C ATOM 368 CG ASP A 25 14.067 6.144 4.020 1.00 0.00 C ATOM 369 OD1 ASP A 25 13.238 7.026 4.171 1.00 0.00 O ATOM 370 OD2 ASP A 25 14.990 6.205 3.224 1.00 0.00 O ATOM 0 H ASP A 25 13.366 3.141 6.563 1.00 0.00 H new ATOM 0 HA ASP A 25 12.598 5.886 6.233 1.00 0.00 H new ATOM 0 HB2 ASP A 25 14.795 4.807 5.555 1.00 0.00 H new ATOM 0 HB3 ASP A 25 13.951 3.998 4.249 1.00 0.00 H new ATOM 375 N VAL A 26 10.341 5.430 5.105 1.00 0.00 N ATOM 376 CA VAL A 26 9.141 5.375 4.222 1.00 0.00 C ATOM 377 C VAL A 26 9.461 6.044 2.882 1.00 0.00 C ATOM 378 O VAL A 26 8.606 6.188 2.030 1.00 0.00 O ATOM 379 CB VAL A 26 7.982 6.114 4.894 1.00 0.00 C ATOM 380 CG1 VAL A 26 7.859 5.657 6.349 1.00 0.00 C ATOM 381 CG2 VAL A 26 8.249 7.620 4.854 1.00 0.00 C ATOM 0 H VAL A 26 10.214 5.940 5.979 1.00 0.00 H new ATOM 0 HA VAL A 26 8.862 4.335 4.052 1.00 0.00 H new ATOM 0 HB VAL A 26 7.055 5.893 4.365 1.00 0.00 H new ATOM 0 HG11 VAL A 26 7.033 6.184 6.827 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.671 4.584 6.379 1.00 0.00 H new ATOM 0 HG13 VAL A 26 8.786 5.877 6.879 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.424 8.149 5.332 1.00 0.00 H new ATOM 0 HG22 VAL A 26 9.176 7.839 5.383 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.337 7.947 3.818 1.00 0.00 H new ATOM 391 N ASP A 27 10.687 6.447 2.685 1.00 0.00 N ATOM 392 CA ASP A 27 11.064 7.097 1.399 1.00 0.00 C ATOM 393 C ASP A 27 11.761 6.071 0.503 1.00 0.00 C ATOM 394 O ASP A 27 12.387 6.413 -0.480 1.00 0.00 O ATOM 395 CB ASP A 27 12.015 8.265 1.676 1.00 0.00 C ATOM 396 CG ASP A 27 12.272 9.032 0.378 1.00 0.00 C ATOM 397 OD1 ASP A 27 11.647 8.702 -0.617 1.00 0.00 O ATOM 398 OD2 ASP A 27 13.089 9.937 0.400 1.00 0.00 O ATOM 0 H ASP A 27 11.445 6.354 3.361 1.00 0.00 H new ATOM 0 HA ASP A 27 10.170 7.471 0.901 1.00 0.00 H new ATOM 0 HB2 ASP A 27 11.583 8.930 2.424 1.00 0.00 H new ATOM 0 HB3 ASP A 27 12.955 7.894 2.084 1.00 0.00 H new ATOM 403 N LEU A 28 11.661 4.815 0.843 1.00 0.00 N ATOM 404 CA LEU A 28 12.321 3.761 0.021 1.00 0.00 C ATOM 405 C LEU A 28 11.364 3.281 -1.065 1.00 0.00 C ATOM 406 O LEU A 28 10.200 3.034 -0.817 1.00 0.00 O ATOM 407 CB LEU A 28 12.700 2.579 0.914 1.00 0.00 C ATOM 408 CG LEU A 28 13.510 1.561 0.104 1.00 0.00 C ATOM 409 CD1 LEU A 28 14.899 2.127 -0.207 1.00 0.00 C ATOM 410 CD2 LEU A 28 13.656 0.271 0.913 1.00 0.00 C ATOM 0 H LEU A 28 11.150 4.473 1.656 1.00 0.00 H new ATOM 0 HA LEU A 28 13.217 4.176 -0.440 1.00 0.00 H new ATOM 0 HB2 LEU A 28 13.283 2.927 1.767 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.801 2.109 1.313 1.00 0.00 H new ATOM 0 HG LEU A 28 12.991 1.352 -0.832 1.00 0.00 H new ATOM 0 HD11 LEU A 28 15.469 1.398 -0.783 1.00 0.00 H new ATOM 0 HD12 LEU A 28 14.797 3.046 -0.785 1.00 0.00 H new ATOM 0 HD13 LEU A 28 15.422 2.341 0.725 1.00 0.00 H new ATOM 0 HD21 LEU A 28 14.232 -0.455 0.339 1.00 0.00 H new ATOM 0 HD22 LEU A 28 14.172 0.485 1.849 1.00 0.00 H new ATOM 0 HD23 LEU A 28 12.669 -0.137 1.128 1.00 0.00 H new ATOM 422 N ASP A 29 11.846 3.138 -2.267 1.00 0.00 N ATOM 423 CA ASP A 29 10.963 2.665 -3.360 1.00 0.00 C ATOM 424 C ASP A 29 10.477 1.254 -3.029 1.00 0.00 C ATOM 425 O ASP A 29 11.258 0.345 -2.834 1.00 0.00 O ATOM 426 CB ASP A 29 11.736 2.655 -4.682 1.00 0.00 C ATOM 427 CG ASP A 29 13.018 1.832 -4.527 1.00 0.00 C ATOM 428 OD1 ASP A 29 13.240 1.313 -3.446 1.00 0.00 O ATOM 429 OD2 ASP A 29 13.761 1.744 -5.491 1.00 0.00 O ATOM 0 H ASP A 29 12.811 3.328 -2.536 1.00 0.00 H new ATOM 0 HA ASP A 29 10.107 3.333 -3.459 1.00 0.00 H new ATOM 0 HB2 ASP A 29 11.116 2.234 -5.473 1.00 0.00 H new ATOM 0 HB3 ASP A 29 11.981 3.675 -4.978 1.00 0.00 H new ATOM 434 N LEU A 30 9.190 1.065 -2.949 1.00 0.00 N ATOM 435 CA LEU A 30 8.662 -0.284 -2.614 1.00 0.00 C ATOM 436 C LEU A 30 8.966 -1.254 -3.756 1.00 0.00 C ATOM 437 O LEU A 30 8.678 -2.431 -3.672 1.00 0.00 O ATOM 438 CB LEU A 30 7.147 -0.212 -2.399 1.00 0.00 C ATOM 439 CG LEU A 30 6.824 0.824 -1.321 1.00 0.00 C ATOM 440 CD1 LEU A 30 5.321 0.806 -1.033 1.00 0.00 C ATOM 441 CD2 LEU A 30 7.590 0.488 -0.040 1.00 0.00 C ATOM 0 H LEU A 30 8.483 1.785 -3.101 1.00 0.00 H new ATOM 0 HA LEU A 30 9.140 -0.635 -1.700 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.651 0.054 -3.332 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.766 -1.189 -2.103 1.00 0.00 H new ATOM 0 HG LEU A 30 7.118 1.814 -1.670 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.089 1.544 -0.265 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.773 1.046 -1.944 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.029 -0.185 -0.685 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.359 1.227 0.727 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.297 -0.502 0.310 1.00 0.00 H new ATOM 0 HD23 LEU A 30 8.661 0.499 -0.243 1.00 0.00 H new ATOM 453 N VAL A 31 9.539 -0.776 -4.828 1.00 0.00 N ATOM 454 CA VAL A 31 9.844 -1.689 -5.964 1.00 0.00 C ATOM 455 C VAL A 31 10.596 -2.909 -5.440 1.00 0.00 C ATOM 456 O VAL A 31 10.313 -4.031 -5.810 1.00 0.00 O ATOM 457 CB VAL A 31 10.706 -0.965 -6.998 1.00 0.00 C ATOM 458 CG1 VAL A 31 11.292 -1.984 -7.977 1.00 0.00 C ATOM 459 CG2 VAL A 31 9.841 0.032 -7.768 1.00 0.00 C ATOM 0 H VAL A 31 9.807 0.199 -4.965 1.00 0.00 H new ATOM 0 HA VAL A 31 8.912 -2.003 -6.434 1.00 0.00 H new ATOM 0 HB VAL A 31 11.515 -0.437 -6.492 1.00 0.00 H new ATOM 0 HG11 VAL A 31 11.907 -1.468 -8.715 1.00 0.00 H new ATOM 0 HG12 VAL A 31 11.905 -2.702 -7.432 1.00 0.00 H new ATOM 0 HG13 VAL A 31 10.482 -2.509 -8.483 1.00 0.00 H new ATOM 0 HG21 VAL A 31 10.453 0.550 -8.506 1.00 0.00 H new ATOM 0 HG22 VAL A 31 9.035 -0.500 -8.273 1.00 0.00 H new ATOM 0 HG23 VAL A 31 9.417 0.758 -7.074 1.00 0.00 H new ATOM 469 N ASP A 32 11.540 -2.703 -4.567 1.00 0.00 N ATOM 470 CA ASP A 32 12.289 -3.862 -4.008 1.00 0.00 C ATOM 471 C ASP A 32 11.271 -4.824 -3.402 1.00 0.00 C ATOM 472 O ASP A 32 11.401 -6.030 -3.484 1.00 0.00 O ATOM 473 CB ASP A 32 13.255 -3.380 -2.923 1.00 0.00 C ATOM 474 CG ASP A 32 14.357 -2.531 -3.560 1.00 0.00 C ATOM 475 OD1 ASP A 32 14.457 -2.541 -4.776 1.00 0.00 O ATOM 476 OD2 ASP A 32 15.081 -1.884 -2.821 1.00 0.00 O ATOM 0 H ASP A 32 11.825 -1.788 -4.217 1.00 0.00 H new ATOM 0 HA ASP A 32 12.866 -4.357 -4.789 1.00 0.00 H new ATOM 0 HB2 ASP A 32 12.717 -2.796 -2.176 1.00 0.00 H new ATOM 0 HB3 ASP A 32 13.692 -4.234 -2.406 1.00 0.00 H new ATOM 481 N ASN A 33 10.242 -4.283 -2.814 1.00 0.00 N ATOM 482 CA ASN A 33 9.177 -5.127 -2.214 1.00 0.00 C ATOM 483 C ASN A 33 8.181 -5.495 -3.313 1.00 0.00 C ATOM 484 O ASN A 33 7.067 -5.902 -3.049 1.00 0.00 O ATOM 485 CB ASN A 33 8.465 -4.347 -1.112 1.00 0.00 C ATOM 486 CG ASN A 33 9.473 -3.964 -0.029 1.00 0.00 C ATOM 487 OD1 ASN A 33 9.910 -2.737 0.029 1.00 0.00 O flip ATOM 488 ND2 ASN A 33 9.872 -4.790 0.767 1.00 0.00 N flip ATOM 0 H ASN A 33 10.093 -3.278 -2.723 1.00 0.00 H new ATOM 0 HA ASN A 33 9.609 -6.030 -1.782 1.00 0.00 H new ATOM 0 HB2 ASN A 33 8.002 -3.452 -1.526 1.00 0.00 H new ATOM 0 HB3 ASN A 33 7.665 -4.950 -0.683 1.00 0.00 H new ATOM 0 HD21 ASN A 33 9.530 -5.750 0.721 1.00 0.00 H new ATOM 0 HD22 ASN A 33 10.549 -4.524 1.482 1.00 0.00 H new ATOM 495 N GLY A 34 8.579 -5.331 -4.548 1.00 0.00 N ATOM 496 CA GLY A 34 7.668 -5.645 -5.684 1.00 0.00 C ATOM 497 C GLY A 34 6.913 -6.941 -5.399 1.00 0.00 C ATOM 498 O GLY A 34 5.899 -7.224 -6.002 1.00 0.00 O ATOM 0 H GLY A 34 9.502 -4.991 -4.818 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.962 -4.828 -5.833 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.242 -5.743 -6.606 1.00 0.00 H new ATOM 502 N VAL A 35 7.378 -7.726 -4.473 1.00 0.00 N ATOM 503 CA VAL A 35 6.650 -8.983 -4.158 1.00 0.00 C ATOM 504 C VAL A 35 5.206 -8.620 -3.804 1.00 0.00 C ATOM 505 O VAL A 35 4.270 -9.304 -4.168 1.00 0.00 O ATOM 506 CB VAL A 35 7.312 -9.679 -2.966 1.00 0.00 C ATOM 507 CG1 VAL A 35 6.420 -10.822 -2.481 1.00 0.00 C ATOM 508 CG2 VAL A 35 8.670 -10.240 -3.394 1.00 0.00 C ATOM 0 H VAL A 35 8.221 -7.556 -3.925 1.00 0.00 H new ATOM 0 HA VAL A 35 6.673 -9.657 -5.014 1.00 0.00 H new ATOM 0 HB VAL A 35 7.452 -8.960 -2.159 1.00 0.00 H new ATOM 0 HG11 VAL A 35 6.892 -11.317 -1.632 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.452 -10.424 -2.176 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.279 -11.541 -3.288 1.00 0.00 H new ATOM 0 HG21 VAL A 35 9.142 -10.736 -2.546 1.00 0.00 H new ATOM 0 HG22 VAL A 35 8.529 -10.958 -4.202 1.00 0.00 H new ATOM 0 HG23 VAL A 35 9.307 -9.426 -3.740 1.00 0.00 H new ATOM 518 N ILE A 36 5.029 -7.538 -3.096 1.00 0.00 N ATOM 519 CA ILE A 36 3.659 -7.099 -2.705 1.00 0.00 C ATOM 520 C ILE A 36 2.906 -6.573 -3.929 1.00 0.00 C ATOM 521 O ILE A 36 1.696 -6.544 -3.958 1.00 0.00 O ATOM 522 CB ILE A 36 3.775 -5.963 -1.690 1.00 0.00 C ATOM 523 CG1 ILE A 36 2.506 -5.902 -0.845 1.00 0.00 C ATOM 524 CG2 ILE A 36 3.946 -4.637 -2.433 1.00 0.00 C ATOM 525 CD1 ILE A 36 2.597 -4.724 0.126 1.00 0.00 C ATOM 0 H ILE A 36 5.783 -6.934 -2.769 1.00 0.00 H new ATOM 0 HA ILE A 36 3.121 -7.947 -2.280 1.00 0.00 H new ATOM 0 HB ILE A 36 4.636 -6.140 -1.045 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.633 -5.791 -1.488 1.00 0.00 H new ATOM 0 HG13 ILE A 36 2.379 -6.833 -0.293 1.00 0.00 H new ATOM 0 HG21 ILE A 36 4.029 -3.824 -1.712 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.849 -4.675 -3.042 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.082 -4.466 -3.075 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.691 -4.680 0.730 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.461 -4.855 0.777 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.704 -3.796 -0.436 1.00 0.00 H new ATOM 537 N ASP A 37 3.615 -6.122 -4.923 1.00 0.00 N ATOM 538 CA ASP A 37 2.943 -5.558 -6.132 1.00 0.00 C ATOM 539 C ASP A 37 2.045 -6.598 -6.808 1.00 0.00 C ATOM 540 O ASP A 37 1.079 -6.246 -7.454 1.00 0.00 O ATOM 541 CB ASP A 37 3.992 -5.070 -7.135 1.00 0.00 C ATOM 542 CG ASP A 37 4.732 -3.864 -6.556 1.00 0.00 C ATOM 543 OD1 ASP A 37 4.303 -3.368 -5.527 1.00 0.00 O ATOM 544 OD2 ASP A 37 5.715 -3.455 -7.151 1.00 0.00 O ATOM 0 H ASP A 37 4.635 -6.118 -4.954 1.00 0.00 H new ATOM 0 HA ASP A 37 2.322 -4.723 -5.807 1.00 0.00 H new ATOM 0 HB2 ASP A 37 4.698 -5.870 -7.357 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.512 -4.798 -8.075 1.00 0.00 H new ATOM 549 N SER A 38 2.356 -7.864 -6.696 1.00 0.00 N ATOM 550 CA SER A 38 1.509 -8.891 -7.373 1.00 0.00 C ATOM 551 C SER A 38 0.775 -9.770 -6.355 1.00 0.00 C ATOM 552 O SER A 38 -0.438 -9.777 -6.292 1.00 0.00 O ATOM 553 CB SER A 38 2.399 -9.773 -8.249 1.00 0.00 C ATOM 554 OG SER A 38 3.114 -8.948 -9.177 1.00 0.00 O ATOM 0 H SER A 38 3.151 -8.228 -6.171 1.00 0.00 H new ATOM 0 HA SER A 38 0.763 -8.376 -7.979 1.00 0.00 H new ATOM 0 HB2 SER A 38 3.098 -10.334 -7.629 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.793 -10.503 -8.785 1.00 0.00 H new ATOM 0 HG SER A 38 3.687 -9.509 -9.740 1.00 0.00 H new ATOM 559 N LEU A 39 1.492 -10.532 -5.577 1.00 0.00 N ATOM 560 CA LEU A 39 0.818 -11.428 -4.593 1.00 0.00 C ATOM 561 C LEU A 39 0.155 -10.606 -3.489 1.00 0.00 C ATOM 562 O LEU A 39 -1.005 -10.789 -3.176 1.00 0.00 O ATOM 563 CB LEU A 39 1.849 -12.372 -3.971 1.00 0.00 C ATOM 564 CG LEU A 39 2.385 -13.335 -5.034 1.00 0.00 C ATOM 565 CD1 LEU A 39 3.750 -12.849 -5.526 1.00 0.00 C ATOM 566 CD2 LEU A 39 2.532 -14.731 -4.425 1.00 0.00 C ATOM 0 H LEU A 39 2.511 -10.574 -5.579 1.00 0.00 H new ATOM 0 HA LEU A 39 0.053 -12.005 -5.112 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.670 -11.796 -3.543 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.394 -12.934 -3.155 1.00 0.00 H new ATOM 0 HG LEU A 39 1.690 -13.372 -5.873 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.130 -13.536 -6.282 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.648 -11.854 -5.958 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.446 -12.811 -4.688 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.913 -15.419 -5.180 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.227 -14.691 -3.586 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.560 -15.079 -4.075 1.00 0.00 H new ATOM 578 N GLY A 40 0.878 -9.702 -2.898 1.00 0.00 N ATOM 579 CA GLY A 40 0.289 -8.870 -1.816 1.00 0.00 C ATOM 580 C GLY A 40 -0.728 -7.902 -2.413 1.00 0.00 C ATOM 581 O GLY A 40 -1.762 -7.631 -1.835 1.00 0.00 O ATOM 0 H GLY A 40 1.854 -9.502 -3.117 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.192 -9.507 -1.074 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.074 -8.317 -1.300 1.00 0.00 H new ATOM 585 N LEU A 41 -0.435 -7.375 -3.566 1.00 0.00 N ATOM 586 CA LEU A 41 -1.371 -6.417 -4.210 1.00 0.00 C ATOM 587 C LEU A 41 -2.716 -7.098 -4.430 1.00 0.00 C ATOM 588 O LEU A 41 -3.758 -6.518 -4.211 1.00 0.00 O ATOM 589 CB LEU A 41 -0.796 -5.979 -5.557 1.00 0.00 C ATOM 590 CG LEU A 41 -1.671 -4.882 -6.167 1.00 0.00 C ATOM 591 CD1 LEU A 41 -1.303 -3.528 -5.558 1.00 0.00 C ATOM 592 CD2 LEU A 41 -1.447 -4.839 -7.681 1.00 0.00 C ATOM 0 H LEU A 41 0.417 -7.568 -4.093 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.504 -5.546 -3.569 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.222 -5.613 -5.425 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.743 -6.832 -6.234 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.719 -5.097 -5.957 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.929 -2.750 -5.996 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.462 -3.558 -4.480 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.255 -3.309 -5.764 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.069 -4.058 -8.119 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.398 -4.626 -7.888 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.714 -5.802 -8.116 1.00 0.00 H new ATOM 604 N LEU A 42 -2.705 -8.329 -4.853 1.00 0.00 N ATOM 605 CA LEU A 42 -3.995 -9.030 -5.076 1.00 0.00 C ATOM 606 C LEU A 42 -4.762 -9.051 -3.758 1.00 0.00 C ATOM 607 O LEU A 42 -5.950 -8.800 -3.711 1.00 0.00 O ATOM 608 CB LEU A 42 -3.729 -10.464 -5.542 1.00 0.00 C ATOM 609 CG LEU A 42 -5.047 -11.126 -5.933 1.00 0.00 C ATOM 610 CD1 LEU A 42 -5.364 -10.786 -7.385 1.00 0.00 C ATOM 611 CD2 LEU A 42 -4.924 -12.643 -5.778 1.00 0.00 C ATOM 0 H LEU A 42 -1.867 -8.875 -5.052 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.576 -8.515 -5.841 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.046 -10.461 -6.391 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.246 -11.032 -4.747 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.846 -10.763 -5.287 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.305 -11.256 -7.672 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.450 -9.705 -7.495 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.564 -11.154 -8.028 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.866 -13.115 -6.058 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.128 -13.011 -6.425 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.691 -12.885 -4.741 1.00 0.00 H new ATOM 623 N LYS A 43 -4.082 -9.327 -2.679 1.00 0.00 N ATOM 624 CA LYS A 43 -4.760 -9.341 -1.359 1.00 0.00 C ATOM 625 C LYS A 43 -5.219 -7.922 -1.013 1.00 0.00 C ATOM 626 O LYS A 43 -6.273 -7.719 -0.444 1.00 0.00 O ATOM 627 CB LYS A 43 -3.782 -9.834 -0.297 1.00 0.00 C ATOM 628 CG LYS A 43 -3.404 -11.289 -0.583 1.00 0.00 C ATOM 629 CD LYS A 43 -2.515 -11.816 0.545 1.00 0.00 C ATOM 630 CE LYS A 43 -2.032 -13.226 0.199 1.00 0.00 C ATOM 631 NZ LYS A 43 -1.938 -14.039 1.444 1.00 0.00 N ATOM 0 H LYS A 43 -3.085 -9.543 -2.658 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.624 -10.005 -1.394 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.889 -9.210 -0.293 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.232 -9.752 0.692 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.303 -11.900 -0.667 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.880 -11.359 -1.536 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.662 -11.153 0.690 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.070 -11.830 1.483 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.721 -13.696 -0.503 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.060 -13.179 -0.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.610 -14.997 1.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.265 -13.593 2.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.874 -14.094 1.894 1.00 0.00 H new ATOM 645 N VAL A 44 -4.425 -6.939 -1.349 1.00 0.00 N ATOM 646 CA VAL A 44 -4.799 -5.529 -1.036 1.00 0.00 C ATOM 647 C VAL A 44 -6.050 -5.125 -1.820 1.00 0.00 C ATOM 648 O VAL A 44 -6.989 -4.586 -1.271 1.00 0.00 O ATOM 649 CB VAL A 44 -3.641 -4.607 -1.420 1.00 0.00 C ATOM 650 CG1 VAL A 44 -4.081 -3.147 -1.300 1.00 0.00 C ATOM 651 CG2 VAL A 44 -2.461 -4.861 -0.480 1.00 0.00 C ATOM 0 H VAL A 44 -3.532 -7.053 -1.828 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.008 -5.443 0.030 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.343 -4.809 -2.449 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.253 -2.494 -1.575 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.923 -2.965 -1.967 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.381 -2.941 -0.273 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.633 -4.206 -0.750 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.764 -4.658 0.547 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.144 -5.900 -0.566 1.00 0.00 H new ATOM 661 N ILE A 45 -6.077 -5.375 -3.098 1.00 0.00 N ATOM 662 CA ILE A 45 -7.270 -4.997 -3.897 1.00 0.00 C ATOM 663 C ILE A 45 -8.495 -5.748 -3.378 1.00 0.00 C ATOM 664 O ILE A 45 -9.568 -5.195 -3.264 1.00 0.00 O ATOM 665 CB ILE A 45 -7.035 -5.355 -5.366 1.00 0.00 C ATOM 666 CG1 ILE A 45 -5.802 -4.613 -5.902 1.00 0.00 C ATOM 667 CG2 ILE A 45 -8.259 -4.957 -6.181 1.00 0.00 C ATOM 668 CD1 ILE A 45 -5.934 -3.110 -5.639 1.00 0.00 C ATOM 0 H ILE A 45 -5.325 -5.824 -3.622 1.00 0.00 H new ATOM 0 HA ILE A 45 -7.440 -3.924 -3.807 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.866 -6.429 -5.449 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.901 -4.996 -5.422 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -5.696 -4.795 -6.971 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -8.097 -5.210 -7.229 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -9.133 -5.492 -5.810 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -8.424 -3.884 -6.088 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -5.054 -2.595 -6.023 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.825 -2.730 -6.140 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.018 -2.934 -4.567 1.00 0.00 H new ATOM 680 N ALA A 46 -8.349 -7.003 -3.061 1.00 0.00 N ATOM 681 CA ALA A 46 -9.515 -7.777 -2.553 1.00 0.00 C ATOM 682 C ALA A 46 -10.026 -7.142 -1.258 1.00 0.00 C ATOM 683 O ALA A 46 -11.215 -7.024 -1.038 1.00 0.00 O ATOM 684 CB ALA A 46 -9.082 -9.217 -2.275 1.00 0.00 C ATOM 0 H ALA A 46 -7.476 -7.525 -3.131 1.00 0.00 H new ATOM 0 HA ALA A 46 -10.310 -7.770 -3.299 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.933 -9.787 -1.903 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.716 -9.671 -3.196 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.288 -9.220 -1.528 1.00 0.00 H new ATOM 690 N TRP A 47 -9.136 -6.734 -0.399 1.00 0.00 N ATOM 691 CA TRP A 47 -9.565 -6.107 0.881 1.00 0.00 C ATOM 692 C TRP A 47 -9.980 -4.653 0.637 1.00 0.00 C ATOM 693 O TRP A 47 -11.018 -4.208 1.085 1.00 0.00 O ATOM 694 CB TRP A 47 -8.399 -6.156 1.871 1.00 0.00 C ATOM 695 CG TRP A 47 -8.417 -4.940 2.739 1.00 0.00 C ATOM 696 CD1 TRP A 47 -9.172 -4.786 3.848 1.00 0.00 C ATOM 697 CD2 TRP A 47 -7.652 -3.709 2.591 1.00 0.00 C ATOM 698 NE1 TRP A 47 -8.918 -3.539 4.390 1.00 0.00 N ATOM 699 CE2 TRP A 47 -7.989 -2.838 3.650 1.00 0.00 C ATOM 700 CE3 TRP A 47 -6.709 -3.271 1.649 1.00 0.00 C ATOM 701 CZ2 TRP A 47 -7.408 -1.575 3.771 1.00 0.00 C ATOM 702 CZ3 TRP A 47 -6.122 -2.003 1.765 1.00 0.00 C ATOM 703 CH2 TRP A 47 -6.470 -1.156 2.824 1.00 0.00 C ATOM 0 H TRP A 47 -8.127 -6.808 -0.528 1.00 0.00 H new ATOM 0 HA TRP A 47 -10.418 -6.650 1.289 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -8.470 -7.053 2.486 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -7.454 -6.214 1.331 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -9.861 -5.516 4.246 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -9.364 -3.181 5.235 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -6.433 -3.916 0.828 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -7.681 -0.926 4.590 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -5.397 -1.678 1.033 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -6.014 -0.181 2.909 1.00 0.00 H new ATOM 714 N LEU A 48 -9.165 -3.908 -0.057 1.00 0.00 N ATOM 715 CA LEU A 48 -9.487 -2.478 -0.321 1.00 0.00 C ATOM 716 C LEU A 48 -10.766 -2.355 -1.157 1.00 0.00 C ATOM 717 O LEU A 48 -11.584 -1.488 -0.924 1.00 0.00 O ATOM 718 CB LEU A 48 -8.325 -1.845 -1.087 1.00 0.00 C ATOM 719 CG LEU A 48 -8.521 -0.336 -1.171 1.00 0.00 C ATOM 720 CD1 LEU A 48 -8.011 0.308 0.113 1.00 0.00 C ATOM 721 CD2 LEU A 48 -7.735 0.208 -2.365 1.00 0.00 C ATOM 0 H LEU A 48 -8.283 -4.231 -0.455 1.00 0.00 H new ATOM 0 HA LEU A 48 -9.642 -1.968 0.630 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.383 -2.071 -0.588 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.265 -2.269 -2.089 1.00 0.00 H new ATOM 0 HG LEU A 48 -9.579 -0.106 -1.298 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.149 1.388 0.058 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.567 -0.086 0.964 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.952 0.083 0.237 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.872 1.287 -2.429 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.676 -0.016 -2.236 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.096 -0.259 -3.281 1.00 0.00 H new ATOM 733 N GLU A 49 -10.942 -3.201 -2.135 1.00 0.00 N ATOM 734 CA GLU A 49 -12.162 -3.107 -2.984 1.00 0.00 C ATOM 735 C GLU A 49 -13.399 -3.449 -2.154 1.00 0.00 C ATOM 736 O GLU A 49 -14.455 -2.878 -2.335 1.00 0.00 O ATOM 737 CB GLU A 49 -12.034 -4.076 -4.165 1.00 0.00 C ATOM 738 CG GLU A 49 -12.343 -5.497 -3.711 1.00 0.00 C ATOM 739 CD GLU A 49 -12.009 -6.477 -4.837 1.00 0.00 C ATOM 740 OE1 GLU A 49 -11.601 -6.020 -5.893 1.00 0.00 O ATOM 741 OE2 GLU A 49 -12.169 -7.668 -4.626 1.00 0.00 O ATOM 0 H GLU A 49 -10.296 -3.951 -2.382 1.00 0.00 H new ATOM 0 HA GLU A 49 -12.265 -2.090 -3.363 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -12.718 -3.783 -4.962 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -11.026 -4.028 -4.577 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.764 -5.739 -2.820 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -13.395 -5.583 -3.440 1.00 0.00 H new ATOM 748 N ASP A 50 -13.283 -4.379 -1.249 1.00 0.00 N ATOM 749 CA ASP A 50 -14.458 -4.754 -0.415 1.00 0.00 C ATOM 750 C ASP A 50 -14.887 -3.567 0.453 1.00 0.00 C ATOM 751 O ASP A 50 -16.061 -3.319 0.646 1.00 0.00 O ATOM 752 CB ASP A 50 -14.083 -5.929 0.486 1.00 0.00 C ATOM 753 CG ASP A 50 -15.341 -6.476 1.164 1.00 0.00 C ATOM 754 OD1 ASP A 50 -16.417 -5.997 0.847 1.00 0.00 O ATOM 755 OD2 ASP A 50 -15.206 -7.364 1.990 1.00 0.00 O ATOM 0 H ASP A 50 -12.426 -4.896 -1.051 1.00 0.00 H new ATOM 0 HA ASP A 50 -15.284 -5.036 -1.068 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -13.604 -6.712 -0.101 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -13.362 -5.608 1.238 1.00 0.00 H new ATOM 760 N ARG A 51 -13.945 -2.846 0.994 1.00 0.00 N ATOM 761 CA ARG A 51 -14.292 -1.692 1.869 1.00 0.00 C ATOM 762 C ARG A 51 -14.995 -0.580 1.081 1.00 0.00 C ATOM 763 O ARG A 51 -15.945 0.009 1.559 1.00 0.00 O ATOM 764 CB ARG A 51 -13.015 -1.138 2.499 1.00 0.00 C ATOM 765 CG ARG A 51 -12.474 -2.142 3.518 1.00 0.00 C ATOM 766 CD ARG A 51 -11.283 -1.529 4.254 1.00 0.00 C ATOM 767 NE ARG A 51 -11.749 -0.389 5.092 1.00 0.00 N ATOM 768 CZ ARG A 51 -11.069 -0.032 6.147 1.00 0.00 C ATOM 769 NH1 ARG A 51 -9.978 -0.672 6.469 1.00 0.00 N ATOM 770 NH2 ARG A 51 -11.480 0.965 6.881 1.00 0.00 N ATOM 0 H ARG A 51 -12.946 -3.007 0.867 1.00 0.00 H new ATOM 0 HA ARG A 51 -14.976 -2.043 2.642 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -12.269 -0.948 1.728 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -13.220 -0.184 2.985 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -13.255 -2.411 4.229 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -12.171 -3.060 3.014 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -10.802 -2.281 4.880 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -10.537 -1.186 3.537 1.00 0.00 H new ATOM 0 HE ARG A 51 -12.601 0.113 4.841 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -9.656 -1.452 5.896 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -9.447 -0.392 7.294 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -12.333 1.465 6.630 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -10.949 1.244 7.706 1.00 0.00 H new ATOM 784 N PHE A 52 -14.539 -0.270 -0.106 1.00 0.00 N ATOM 785 CA PHE A 52 -15.189 0.820 -0.886 1.00 0.00 C ATOM 786 C PHE A 52 -16.002 0.233 -2.040 1.00 0.00 C ATOM 787 O PHE A 52 -16.705 0.939 -2.736 1.00 0.00 O ATOM 788 CB PHE A 52 -14.107 1.748 -1.434 1.00 0.00 C ATOM 789 CG PHE A 52 -13.467 2.501 -0.294 1.00 0.00 C ATOM 790 CD1 PHE A 52 -14.022 3.711 0.142 1.00 0.00 C ATOM 791 CD2 PHE A 52 -12.321 1.993 0.327 1.00 0.00 C ATOM 792 CE1 PHE A 52 -13.431 4.411 1.199 1.00 0.00 C ATOM 793 CE2 PHE A 52 -11.730 2.693 1.385 1.00 0.00 C ATOM 794 CZ PHE A 52 -12.285 3.903 1.821 1.00 0.00 C ATOM 0 H PHE A 52 -13.749 -0.723 -0.565 1.00 0.00 H new ATOM 0 HA PHE A 52 -15.863 1.379 -0.237 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -13.354 1.170 -1.970 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -14.540 2.448 -2.148 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -14.906 4.103 -0.338 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -11.892 1.061 -0.010 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -13.859 5.344 1.535 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -10.846 2.300 1.865 1.00 0.00 H new ATOM 0 HZ PHE A 52 -11.829 4.444 2.637 1.00 0.00 H new ATOM 804 N GLY A 53 -15.920 -1.050 -2.249 1.00 0.00 N ATOM 805 CA GLY A 53 -16.697 -1.669 -3.358 1.00 0.00 C ATOM 806 C GLY A 53 -16.198 -1.121 -4.696 1.00 0.00 C ATOM 807 O GLY A 53 -16.967 -0.905 -5.612 1.00 0.00 O ATOM 0 H GLY A 53 -15.351 -1.696 -1.702 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -16.587 -2.753 -3.333 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -17.759 -1.453 -3.237 1.00 0.00 H new ATOM 811 N ILE A 54 -14.920 -0.885 -4.817 1.00 0.00 N ATOM 812 CA ILE A 54 -14.386 -0.341 -6.101 1.00 0.00 C ATOM 813 C ILE A 54 -13.862 -1.486 -6.968 1.00 0.00 C ATOM 814 O ILE A 54 -13.021 -2.254 -6.554 1.00 0.00 O ATOM 815 CB ILE A 54 -13.240 0.625 -5.801 1.00 0.00 C ATOM 816 CG1 ILE A 54 -13.734 1.718 -4.854 1.00 0.00 C ATOM 817 CG2 ILE A 54 -12.754 1.263 -7.104 1.00 0.00 C ATOM 818 CD1 ILE A 54 -12.538 2.499 -4.307 1.00 0.00 C ATOM 0 H ILE A 54 -14.225 -1.044 -4.088 1.00 0.00 H new ATOM 0 HA ILE A 54 -15.183 0.181 -6.631 1.00 0.00 H new ATOM 0 HB ILE A 54 -12.418 0.081 -5.335 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -14.411 2.391 -5.380 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -14.298 1.275 -4.033 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -11.937 1.952 -6.889 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -12.404 0.485 -7.782 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -13.575 1.808 -7.570 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -12.891 3.279 -3.632 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -11.878 1.821 -3.766 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -11.992 2.954 -5.133 1.00 0.00 H new ATOM 830 N ALA A 55 -14.345 -1.604 -8.174 1.00 0.00 N ATOM 831 CA ALA A 55 -13.865 -2.702 -9.059 1.00 0.00 C ATOM 832 C ALA A 55 -12.373 -2.514 -9.335 1.00 0.00 C ATOM 833 O ALA A 55 -11.911 -1.418 -9.583 1.00 0.00 O ATOM 834 CB ALA A 55 -14.636 -2.668 -10.379 1.00 0.00 C ATOM 0 H ALA A 55 -15.049 -0.990 -8.584 1.00 0.00 H new ATOM 0 HA ALA A 55 -14.028 -3.662 -8.570 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -14.285 -3.471 -11.026 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -15.700 -2.799 -10.182 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -14.474 -1.709 -10.871 1.00 0.00 H new ATOM 840 N ALA A 56 -11.615 -3.575 -9.296 1.00 0.00 N ATOM 841 CA ALA A 56 -10.154 -3.453 -9.559 1.00 0.00 C ATOM 842 C ALA A 56 -9.935 -3.017 -11.009 1.00 0.00 C ATOM 843 O ALA A 56 -9.031 -2.265 -11.316 1.00 0.00 O ATOM 844 CB ALA A 56 -9.480 -4.806 -9.326 1.00 0.00 C ATOM 0 H ALA A 56 -11.944 -4.519 -9.094 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.722 -2.712 -8.886 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.411 -4.718 -9.518 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.639 -5.119 -8.294 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -9.910 -5.547 -10.000 1.00 0.00 H new ATOM 850 N ASP A 57 -10.760 -3.489 -11.903 1.00 0.00 N ATOM 851 CA ASP A 57 -10.614 -3.115 -13.339 1.00 0.00 C ATOM 852 C ASP A 57 -10.754 -1.600 -13.499 1.00 0.00 C ATOM 853 O ASP A 57 -10.159 -1.001 -14.373 1.00 0.00 O ATOM 854 CB ASP A 57 -11.697 -3.815 -14.158 1.00 0.00 C ATOM 855 CG ASP A 57 -11.447 -5.324 -14.154 1.00 0.00 C ATOM 856 OD1 ASP A 57 -10.373 -5.726 -13.737 1.00 0.00 O ATOM 857 OD2 ASP A 57 -12.335 -6.052 -14.566 1.00 0.00 O ATOM 0 H ASP A 57 -11.534 -4.122 -11.699 1.00 0.00 H new ATOM 0 HA ASP A 57 -9.630 -3.423 -13.692 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -12.680 -3.598 -13.741 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -11.694 -3.438 -15.181 1.00 0.00 H new ATOM 862 N ASP A 58 -11.546 -0.978 -12.671 1.00 0.00 N ATOM 863 CA ASP A 58 -11.736 0.496 -12.786 1.00 0.00 C ATOM 864 C ASP A 58 -10.375 1.193 -12.850 1.00 0.00 C ATOM 865 O ASP A 58 -10.203 2.165 -13.559 1.00 0.00 O ATOM 866 CB ASP A 58 -12.511 1.004 -11.572 1.00 0.00 C ATOM 867 CG ASP A 58 -13.948 0.482 -11.626 1.00 0.00 C ATOM 868 OD1 ASP A 58 -14.327 -0.047 -12.658 1.00 0.00 O ATOM 869 OD2 ASP A 58 -14.645 0.619 -10.635 1.00 0.00 O ATOM 0 H ASP A 58 -12.070 -1.426 -11.919 1.00 0.00 H new ATOM 0 HA ASP A 58 -12.294 0.716 -13.696 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.027 0.672 -10.654 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -12.510 2.094 -11.557 1.00 0.00 H new ATOM 874 N VAL A 59 -9.410 0.708 -12.117 1.00 0.00 N ATOM 875 CA VAL A 59 -8.061 1.348 -12.138 1.00 0.00 C ATOM 876 C VAL A 59 -6.988 0.283 -12.377 1.00 0.00 C ATOM 877 O VAL A 59 -7.153 -0.868 -12.023 1.00 0.00 O ATOM 878 CB VAL A 59 -7.803 2.034 -10.797 1.00 0.00 C ATOM 879 CG1 VAL A 59 -8.909 3.055 -10.523 1.00 0.00 C ATOM 880 CG2 VAL A 59 -7.793 0.985 -9.683 1.00 0.00 C ATOM 0 H VAL A 59 -9.496 -0.103 -11.505 1.00 0.00 H new ATOM 0 HA VAL A 59 -8.024 2.085 -12.940 1.00 0.00 H new ATOM 0 HB VAL A 59 -6.839 2.542 -10.829 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -8.724 3.544 -9.566 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -8.919 3.802 -11.316 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -9.873 2.547 -10.491 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -7.609 1.473 -8.726 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -8.757 0.478 -9.652 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -7.006 0.256 -9.876 1.00 0.00 H new ATOM 890 N GLU A 60 -5.887 0.664 -12.971 1.00 0.00 N ATOM 891 CA GLU A 60 -4.792 -0.315 -13.232 1.00 0.00 C ATOM 892 C GLU A 60 -3.520 0.148 -12.519 1.00 0.00 C ATOM 893 O GLU A 60 -3.179 1.314 -12.538 1.00 0.00 O ATOM 894 CB GLU A 60 -4.531 -0.401 -14.737 1.00 0.00 C ATOM 895 CG GLU A 60 -3.516 -1.502 -15.017 1.00 0.00 C ATOM 896 CD GLU A 60 -3.173 -1.518 -16.508 1.00 0.00 C ATOM 897 OE1 GLU A 60 -3.701 -0.685 -17.226 1.00 0.00 O ATOM 898 OE2 GLU A 60 -2.388 -2.363 -16.906 1.00 0.00 O ATOM 0 H GLU A 60 -5.699 1.615 -13.288 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.084 -1.297 -12.859 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.461 -0.607 -15.267 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.158 0.554 -15.107 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -2.614 -1.337 -14.428 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.921 -2.468 -14.716 1.00 0.00 H new ATOM 905 N LEU A 61 -2.815 -0.755 -11.892 1.00 0.00 N ATOM 906 CA LEU A 61 -1.566 -0.367 -11.180 1.00 0.00 C ATOM 907 C LEU A 61 -0.352 -0.848 -11.979 1.00 0.00 C ATOM 908 O LEU A 61 -0.362 -1.918 -12.552 1.00 0.00 O ATOM 909 CB LEU A 61 -1.544 -1.009 -9.788 1.00 0.00 C ATOM 910 CG LEU A 61 -2.820 -0.643 -9.018 1.00 0.00 C ATOM 911 CD1 LEU A 61 -3.024 0.873 -9.050 1.00 0.00 C ATOM 912 CD2 LEU A 61 -4.033 -1.329 -9.657 1.00 0.00 C ATOM 0 H LEU A 61 -3.052 -1.746 -11.843 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.532 0.718 -11.079 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.463 -2.092 -9.880 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.667 -0.670 -9.236 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.718 -0.978 -7.986 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.931 1.130 -8.502 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.169 1.365 -8.587 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.118 1.206 -10.084 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.934 -1.064 -9.104 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.133 -1.002 -10.692 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.896 -2.410 -9.630 1.00 0.00 H new ATOM 924 N SER A 62 0.695 -0.066 -12.015 1.00 0.00 N ATOM 925 CA SER A 62 1.913 -0.475 -12.769 1.00 0.00 C ATOM 926 C SER A 62 3.141 -0.319 -11.866 1.00 0.00 C ATOM 927 O SER A 62 3.079 0.331 -10.841 1.00 0.00 O ATOM 928 CB SER A 62 2.072 0.411 -14.005 1.00 0.00 C ATOM 929 OG SER A 62 2.037 -0.400 -15.172 1.00 0.00 O ATOM 0 H SER A 62 0.758 0.841 -11.553 1.00 0.00 H new ATOM 0 HA SER A 62 1.817 -1.515 -13.081 1.00 0.00 H new ATOM 0 HB2 SER A 62 1.274 1.153 -14.040 1.00 0.00 H new ATOM 0 HB3 SER A 62 3.014 0.958 -13.956 1.00 0.00 H new ATOM 0 HG SER A 62 2.137 0.165 -15.966 1.00 0.00 H new ATOM 935 N PRO A 63 4.253 -0.903 -12.239 1.00 0.00 N ATOM 936 CA PRO A 63 5.505 -0.809 -11.436 1.00 0.00 C ATOM 937 C PRO A 63 5.850 0.641 -11.089 1.00 0.00 C ATOM 938 O PRO A 63 6.384 0.930 -10.037 1.00 0.00 O ATOM 939 CB PRO A 63 6.584 -1.401 -12.343 1.00 0.00 C ATOM 940 CG PRO A 63 5.869 -2.239 -13.352 1.00 0.00 C ATOM 941 CD PRO A 63 4.437 -1.712 -13.455 1.00 0.00 C ATOM 0 HA PRO A 63 5.409 -1.332 -10.484 1.00 0.00 H new ATOM 0 HB2 PRO A 63 7.159 -0.613 -12.829 1.00 0.00 H new ATOM 0 HB3 PRO A 63 7.289 -2.001 -11.768 1.00 0.00 H new ATOM 0 HG2 PRO A 63 6.368 -2.184 -14.319 1.00 0.00 H new ATOM 0 HG3 PRO A 63 5.871 -3.287 -13.051 1.00 0.00 H new ATOM 0 HD2 PRO A 63 4.298 -1.113 -14.355 1.00 0.00 H new ATOM 0 HD3 PRO A 63 3.716 -2.528 -13.501 1.00 0.00 H new ATOM 949 N GLU A 64 5.544 1.553 -11.969 1.00 0.00 N ATOM 950 CA GLU A 64 5.846 2.986 -11.696 1.00 0.00 C ATOM 951 C GLU A 64 5.001 3.468 -10.516 1.00 0.00 C ATOM 952 O GLU A 64 5.401 4.333 -9.762 1.00 0.00 O ATOM 953 CB GLU A 64 5.518 3.822 -12.932 1.00 0.00 C ATOM 954 CG GLU A 64 6.439 3.421 -14.079 1.00 0.00 C ATOM 955 CD GLU A 64 6.161 4.309 -15.293 1.00 0.00 C ATOM 956 OE1 GLU A 64 5.194 5.052 -15.250 1.00 0.00 O ATOM 957 OE2 GLU A 64 6.920 4.232 -16.245 1.00 0.00 O ATOM 0 H GLU A 64 5.097 1.368 -12.867 1.00 0.00 H new ATOM 0 HA GLU A 64 6.904 3.095 -11.455 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.477 3.673 -13.219 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.638 4.882 -12.709 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.481 3.520 -13.774 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.280 2.374 -14.337 1.00 0.00 H new ATOM 964 N HIS A 65 3.829 2.917 -10.355 1.00 0.00 N ATOM 965 CA HIS A 65 2.950 3.341 -9.230 1.00 0.00 C ATOM 966 C HIS A 65 3.572 2.910 -7.900 1.00 0.00 C ATOM 967 O HIS A 65 3.337 3.509 -6.870 1.00 0.00 O ATOM 968 CB HIS A 65 1.576 2.686 -9.391 1.00 0.00 C ATOM 969 CG HIS A 65 0.634 3.223 -8.350 1.00 0.00 C ATOM 970 ND1 HIS A 65 0.349 2.531 -7.181 1.00 0.00 N ATOM 971 CD2 HIS A 65 -0.102 4.381 -8.289 1.00 0.00 C ATOM 972 CE1 HIS A 65 -0.524 3.272 -6.473 1.00 0.00 C ATOM 973 NE2 HIS A 65 -0.829 4.407 -7.105 1.00 0.00 N ATOM 0 H HIS A 65 3.442 2.190 -10.956 1.00 0.00 H new ATOM 0 HA HIS A 65 2.842 4.426 -9.239 1.00 0.00 H new ATOM 0 HB2 HIS A 65 1.183 2.884 -10.388 1.00 0.00 H new ATOM 0 HB3 HIS A 65 1.664 1.604 -9.292 1.00 0.00 H new ATOM 0 HD1 HIS A 65 0.731 1.626 -6.908 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -0.114 5.152 -9.045 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -0.927 2.984 -5.513 1.00 0.00 H new ATOM 982 N PHE A 66 4.361 1.871 -7.913 1.00 0.00 N ATOM 983 CA PHE A 66 4.994 1.398 -6.649 1.00 0.00 C ATOM 984 C PHE A 66 6.423 1.939 -6.562 1.00 0.00 C ATOM 985 O PHE A 66 7.173 1.599 -5.669 1.00 0.00 O ATOM 986 CB PHE A 66 5.022 -0.132 -6.644 1.00 0.00 C ATOM 987 CG PHE A 66 3.618 -0.652 -6.833 1.00 0.00 C ATOM 988 CD1 PHE A 66 2.781 -0.835 -5.726 1.00 0.00 C ATOM 989 CD2 PHE A 66 3.151 -0.943 -8.120 1.00 0.00 C ATOM 990 CE1 PHE A 66 1.475 -1.308 -5.907 1.00 0.00 C ATOM 991 CE2 PHE A 66 1.847 -1.418 -8.301 1.00 0.00 C ATOM 992 CZ PHE A 66 1.009 -1.600 -7.196 1.00 0.00 C ATOM 0 H PHE A 66 4.595 1.329 -8.745 1.00 0.00 H new ATOM 0 HA PHE A 66 4.421 1.755 -5.793 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.669 -0.499 -7.441 1.00 0.00 H new ATOM 0 HB3 PHE A 66 5.435 -0.498 -5.704 1.00 0.00 H new ATOM 0 HD1 PHE A 66 3.142 -0.612 -4.733 1.00 0.00 H new ATOM 0 HD2 PHE A 66 3.797 -0.801 -8.974 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.828 -1.448 -5.054 1.00 0.00 H new ATOM 0 HE2 PHE A 66 1.488 -1.644 -9.294 1.00 0.00 H new ATOM 0 HZ PHE A 66 0.003 -1.966 -7.336 1.00 0.00 H new ATOM 1002 N ARG A 67 6.805 2.778 -7.486 1.00 0.00 N ATOM 1003 CA ARG A 67 8.186 3.340 -7.463 1.00 0.00 C ATOM 1004 C ARG A 67 8.446 4.009 -6.111 1.00 0.00 C ATOM 1005 O ARG A 67 9.532 3.934 -5.572 1.00 0.00 O ATOM 1006 CB ARG A 67 8.327 4.374 -8.589 1.00 0.00 C ATOM 1007 CG ARG A 67 9.755 4.935 -8.639 1.00 0.00 C ATOM 1008 CD ARG A 67 10.701 3.923 -9.293 1.00 0.00 C ATOM 1009 NE ARG A 67 12.043 4.544 -9.471 1.00 0.00 N ATOM 1010 CZ ARG A 67 12.855 4.092 -10.388 1.00 0.00 C ATOM 1011 NH1 ARG A 67 12.491 3.095 -11.146 1.00 0.00 N ATOM 1012 NH2 ARG A 67 14.030 4.638 -10.546 1.00 0.00 N ATOM 0 H ARG A 67 6.220 3.099 -8.257 1.00 0.00 H new ATOM 0 HA ARG A 67 8.911 2.539 -7.610 1.00 0.00 H new ATOM 0 HB2 ARG A 67 8.079 3.913 -9.545 1.00 0.00 H new ATOM 0 HB3 ARG A 67 7.618 5.187 -8.433 1.00 0.00 H new ATOM 0 HG2 ARG A 67 9.767 5.869 -9.200 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.098 5.165 -7.630 1.00 0.00 H new ATOM 0 HD2 ARG A 67 10.781 3.030 -8.673 1.00 0.00 H new ATOM 0 HD3 ARG A 67 10.303 3.607 -10.258 1.00 0.00 H new ATOM 0 HE ARG A 67 12.328 5.322 -8.876 1.00 0.00 H new ATOM 0 HH11 ARG A 67 11.573 2.669 -11.022 1.00 0.00 H new ATOM 0 HH12 ARG A 67 13.125 2.741 -11.863 1.00 0.00 H new ATOM 0 HH21 ARG A 67 14.314 5.418 -9.953 1.00 0.00 H new ATOM 0 HH22 ARG A 67 14.664 4.285 -11.262 1.00 0.00 H new ATOM 1026 N SER A 68 7.464 4.666 -5.561 1.00 0.00 N ATOM 1027 CA SER A 68 7.666 5.340 -4.246 1.00 0.00 C ATOM 1028 C SER A 68 6.368 5.314 -3.436 1.00 0.00 C ATOM 1029 O SER A 68 5.282 5.338 -3.980 1.00 0.00 O ATOM 1030 CB SER A 68 8.093 6.789 -4.479 1.00 0.00 C ATOM 1031 OG SER A 68 9.411 6.809 -5.012 1.00 0.00 O ATOM 0 H SER A 68 6.532 4.766 -5.963 1.00 0.00 H new ATOM 0 HA SER A 68 8.441 4.813 -3.690 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.403 7.278 -5.166 1.00 0.00 H new ATOM 0 HB3 SER A 68 8.058 7.346 -3.543 1.00 0.00 H new ATOM 0 HG SER A 68 9.688 7.737 -5.165 1.00 0.00 H new ATOM 1037 N ILE A 69 6.475 5.268 -2.135 1.00 0.00 N ATOM 1038 CA ILE A 69 5.263 5.244 -1.279 1.00 0.00 C ATOM 1039 C ILE A 69 4.480 6.550 -1.444 1.00 0.00 C ATOM 1040 O ILE A 69 3.266 6.564 -1.421 1.00 0.00 O ATOM 1041 CB ILE A 69 5.694 5.093 0.178 1.00 0.00 C ATOM 1042 CG1 ILE A 69 6.487 3.803 0.347 1.00 0.00 C ATOM 1043 CG2 ILE A 69 4.463 5.033 1.065 1.00 0.00 C ATOM 1044 CD1 ILE A 69 7.092 3.753 1.751 1.00 0.00 C ATOM 0 H ILE A 69 7.360 5.246 -1.628 1.00 0.00 H new ATOM 0 HA ILE A 69 4.626 4.409 -1.571 1.00 0.00 H new ATOM 0 HB ILE A 69 6.313 5.945 0.458 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.838 2.942 0.189 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.277 3.749 -0.402 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.769 4.925 2.106 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.886 5.951 0.950 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.849 4.180 0.777 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.659 2.830 1.870 1.00 0.00 H new ATOM 0 HD12 ILE A 69 7.755 4.607 1.892 1.00 0.00 H new ATOM 0 HD13 ILE A 69 6.294 3.787 2.493 1.00 0.00 H new ATOM 1056 N ARG A 70 5.167 7.651 -1.592 1.00 0.00 N ATOM 1057 CA ARG A 70 4.460 8.957 -1.738 1.00 0.00 C ATOM 1058 C ARG A 70 3.576 8.941 -2.987 1.00 0.00 C ATOM 1059 O ARG A 70 2.469 9.441 -2.977 1.00 0.00 O ATOM 1060 CB ARG A 70 5.492 10.081 -1.865 1.00 0.00 C ATOM 1061 CG ARG A 70 6.300 10.184 -0.570 1.00 0.00 C ATOM 1062 CD ARG A 70 7.245 11.384 -0.655 1.00 0.00 C ATOM 1063 NE ARG A 70 8.116 11.245 -1.855 1.00 0.00 N ATOM 1064 CZ ARG A 70 8.631 12.306 -2.416 1.00 0.00 C ATOM 1065 NH1 ARG A 70 8.385 13.490 -1.925 1.00 0.00 N ATOM 1066 NH2 ARG A 70 9.391 12.181 -3.470 1.00 0.00 N ATOM 0 H ARG A 70 6.185 7.703 -1.618 1.00 0.00 H new ATOM 0 HA ARG A 70 3.835 9.123 -0.860 1.00 0.00 H new ATOM 0 HB2 ARG A 70 6.157 9.885 -2.706 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.991 11.027 -2.069 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.629 10.295 0.282 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.870 9.269 -0.410 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.671 12.309 -0.714 1.00 0.00 H new ATOM 0 HD3 ARG A 70 7.856 11.444 0.246 1.00 0.00 H new ATOM 0 HE ARG A 70 8.311 10.320 -2.239 1.00 0.00 H new ATOM 0 HH11 ARG A 70 7.790 13.587 -1.102 1.00 0.00 H new ATOM 0 HH12 ARG A 70 8.788 14.318 -2.364 1.00 0.00 H new ATOM 0 HH21 ARG A 70 9.582 11.256 -3.854 1.00 0.00 H new ATOM 0 HH22 ARG A 70 9.794 13.009 -3.909 1.00 0.00 H new ATOM 1080 N SER A 71 4.049 8.375 -4.064 1.00 0.00 N ATOM 1081 CA SER A 71 3.226 8.339 -5.302 1.00 0.00 C ATOM 1082 C SER A 71 1.939 7.556 -5.037 1.00 0.00 C ATOM 1083 O SER A 71 0.867 7.942 -5.458 1.00 0.00 O ATOM 1084 CB SER A 71 4.021 7.655 -6.413 1.00 0.00 C ATOM 1085 OG SER A 71 5.272 8.312 -6.568 1.00 0.00 O ATOM 0 H SER A 71 4.967 7.938 -4.138 1.00 0.00 H new ATOM 0 HA SER A 71 2.974 9.355 -5.605 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.177 6.604 -6.170 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.462 7.687 -7.348 1.00 0.00 H new ATOM 0 HG SER A 71 5.785 7.875 -7.279 1.00 0.00 H new ATOM 1091 N ILE A 72 2.039 6.458 -4.340 1.00 0.00 N ATOM 1092 CA ILE A 72 0.833 5.647 -4.042 1.00 0.00 C ATOM 1093 C ILE A 72 -0.092 6.421 -3.100 1.00 0.00 C ATOM 1094 O ILE A 72 -1.300 6.376 -3.223 1.00 0.00 O ATOM 1095 CB ILE A 72 1.270 4.348 -3.370 1.00 0.00 C ATOM 1096 CG1 ILE A 72 2.211 3.581 -4.302 1.00 0.00 C ATOM 1097 CG2 ILE A 72 0.043 3.495 -3.075 1.00 0.00 C ATOM 1098 CD1 ILE A 72 2.766 2.357 -3.573 1.00 0.00 C ATOM 0 H ILE A 72 2.912 6.088 -3.963 1.00 0.00 H new ATOM 0 HA ILE A 72 0.298 5.429 -4.966 1.00 0.00 H new ATOM 0 HB ILE A 72 1.789 4.577 -2.439 1.00 0.00 H new ATOM 0 HG12 ILE A 72 1.677 3.271 -5.200 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.028 4.227 -4.624 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.352 2.567 -2.595 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -0.628 4.040 -2.412 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.474 3.267 -4.007 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.436 1.811 -4.237 1.00 0.00 H new ATOM 0 HD12 ILE A 72 3.315 2.679 -2.688 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.943 1.708 -3.274 1.00 0.00 H new ATOM 1110 N ASP A 73 0.468 7.120 -2.151 1.00 0.00 N ATOM 1111 CA ASP A 73 -0.372 7.885 -1.187 1.00 0.00 C ATOM 1112 C ASP A 73 -1.252 8.891 -1.931 1.00 0.00 C ATOM 1113 O ASP A 73 -2.414 9.060 -1.618 1.00 0.00 O ATOM 1114 CB ASP A 73 0.540 8.637 -0.215 1.00 0.00 C ATOM 1115 CG ASP A 73 -0.303 9.278 0.889 1.00 0.00 C ATOM 1116 OD1 ASP A 73 -1.509 9.103 0.863 1.00 0.00 O ATOM 1117 OD2 ASP A 73 0.273 9.934 1.742 1.00 0.00 O ATOM 0 H ASP A 73 1.474 7.194 -2.002 1.00 0.00 H new ATOM 0 HA ASP A 73 -1.011 7.190 -0.642 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.268 7.952 0.221 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.103 9.403 -0.748 1.00 0.00 H new ATOM 1122 N ALA A 74 -0.712 9.568 -2.904 1.00 0.00 N ATOM 1123 CA ALA A 74 -1.525 10.569 -3.650 1.00 0.00 C ATOM 1124 C ALA A 74 -2.631 9.870 -4.438 1.00 0.00 C ATOM 1125 O ALA A 74 -3.746 10.347 -4.514 1.00 0.00 O ATOM 1126 CB ALA A 74 -0.622 11.343 -4.612 1.00 0.00 C ATOM 0 H ALA A 74 0.255 9.473 -3.215 1.00 0.00 H new ATOM 0 HA ALA A 74 -1.980 11.258 -2.938 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.216 12.076 -5.158 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.157 11.855 -4.047 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -0.163 10.650 -5.317 1.00 0.00 H new ATOM 1132 N PHE A 75 -2.336 8.749 -5.031 1.00 0.00 N ATOM 1133 CA PHE A 75 -3.379 8.035 -5.817 1.00 0.00 C ATOM 1134 C PHE A 75 -4.533 7.636 -4.897 1.00 0.00 C ATOM 1135 O PHE A 75 -5.686 7.908 -5.175 1.00 0.00 O ATOM 1136 CB PHE A 75 -2.774 6.783 -6.446 1.00 0.00 C ATOM 1137 CG PHE A 75 -3.791 6.134 -7.353 1.00 0.00 C ATOM 1138 CD1 PHE A 75 -3.918 6.562 -8.680 1.00 0.00 C ATOM 1139 CD2 PHE A 75 -4.606 5.105 -6.868 1.00 0.00 C ATOM 1140 CE1 PHE A 75 -4.862 5.961 -9.522 1.00 0.00 C ATOM 1141 CE2 PHE A 75 -5.550 4.504 -7.709 1.00 0.00 C ATOM 1142 CZ PHE A 75 -5.677 4.932 -9.036 1.00 0.00 C ATOM 0 H PHE A 75 -1.422 8.297 -5.006 1.00 0.00 H new ATOM 0 HA PHE A 75 -3.753 8.693 -6.602 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -1.880 7.043 -7.012 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -2.467 6.084 -5.668 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -3.288 7.355 -9.054 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -4.507 4.774 -5.845 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -4.961 6.291 -10.545 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -6.180 3.711 -7.334 1.00 0.00 H new ATOM 0 HZ PHE A 75 -6.405 4.468 -9.685 1.00 0.00 H new ATOM 1152 N VAL A 76 -4.236 6.994 -3.800 1.00 0.00 N ATOM 1153 CA VAL A 76 -5.315 6.581 -2.870 1.00 0.00 C ATOM 1154 C VAL A 76 -5.959 7.816 -2.238 1.00 0.00 C ATOM 1155 O VAL A 76 -7.164 7.933 -2.185 1.00 0.00 O ATOM 1156 CB VAL A 76 -4.721 5.695 -1.778 1.00 0.00 C ATOM 1157 CG1 VAL A 76 -5.758 5.485 -0.681 1.00 0.00 C ATOM 1158 CG2 VAL A 76 -4.334 4.341 -2.376 1.00 0.00 C ATOM 0 H VAL A 76 -3.291 6.739 -3.511 1.00 0.00 H new ATOM 0 HA VAL A 76 -6.077 6.027 -3.419 1.00 0.00 H new ATOM 0 HB VAL A 76 -3.836 6.174 -1.359 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -5.338 4.853 0.101 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.039 6.449 -0.256 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.640 5.003 -1.102 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.910 3.707 -1.597 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.219 3.861 -2.792 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.597 4.489 -3.165 1.00 0.00 H new ATOM 1168 N VAL A 77 -5.170 8.744 -1.765 1.00 0.00 N ATOM 1169 CA VAL A 77 -5.753 9.960 -1.142 1.00 0.00 C ATOM 1170 C VAL A 77 -6.650 10.669 -2.153 1.00 0.00 C ATOM 1171 O VAL A 77 -7.706 11.169 -1.820 1.00 0.00 O ATOM 1172 CB VAL A 77 -4.624 10.892 -0.713 1.00 0.00 C ATOM 1173 CG1 VAL A 77 -5.199 12.265 -0.385 1.00 0.00 C ATOM 1174 CG2 VAL A 77 -3.938 10.321 0.530 1.00 0.00 C ATOM 0 H VAL A 77 -4.151 8.710 -1.785 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.346 9.681 -0.271 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.899 10.982 -1.522 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.394 12.933 -0.078 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.693 12.673 -1.267 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.922 12.172 0.425 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.131 10.986 0.838 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.664 10.233 1.338 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.530 9.337 0.300 1.00 0.00 H new ATOM 1184 N GLY A 78 -6.238 10.716 -3.387 1.00 0.00 N ATOM 1185 CA GLY A 78 -7.064 11.392 -4.420 1.00 0.00 C ATOM 1186 C GLY A 78 -8.451 10.746 -4.484 1.00 0.00 C ATOM 1187 O GLY A 78 -9.434 11.407 -4.754 1.00 0.00 O ATOM 0 H GLY A 78 -5.363 10.314 -3.725 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -7.158 12.453 -4.186 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -6.575 11.322 -5.392 1.00 0.00 H new ATOM 1191 N ALA A 79 -8.542 9.460 -4.252 1.00 0.00 N ATOM 1192 CA ALA A 79 -9.875 8.791 -4.320 1.00 0.00 C ATOM 1193 C ALA A 79 -10.405 8.487 -2.915 1.00 0.00 C ATOM 1194 O ALA A 79 -11.522 8.828 -2.580 1.00 0.00 O ATOM 1195 CB ALA A 79 -9.742 7.483 -5.102 1.00 0.00 C ATOM 0 H ALA A 79 -7.758 8.850 -4.021 1.00 0.00 H new ATOM 0 HA ALA A 79 -10.576 9.460 -4.819 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.713 6.990 -5.155 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.388 7.696 -6.111 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.030 6.829 -4.599 1.00 0.00 H new ATOM 1201 N THR A 80 -9.622 7.846 -2.093 1.00 0.00 N ATOM 1202 CA THR A 80 -10.098 7.524 -0.716 1.00 0.00 C ATOM 1203 C THR A 80 -8.922 7.542 0.263 1.00 0.00 C ATOM 1204 O THR A 80 -7.790 7.311 -0.104 1.00 0.00 O ATOM 1205 CB THR A 80 -10.739 6.134 -0.712 1.00 0.00 C ATOM 1206 OG1 THR A 80 -9.721 5.146 -0.792 1.00 0.00 O ATOM 1207 CG2 THR A 80 -11.679 5.999 -1.910 1.00 0.00 C ATOM 0 H THR A 80 -8.677 7.532 -2.312 1.00 0.00 H new ATOM 0 HA THR A 80 -10.831 8.270 -0.409 1.00 0.00 H new ATOM 0 HB THR A 80 -11.307 5.998 0.208 1.00 0.00 H new ATOM 0 HG1 THR A 80 -10.129 4.255 -0.788 1.00 0.00 H new ATOM 0 HG21 THR A 80 -12.134 5.009 -1.905 1.00 0.00 H new ATOM 0 HG22 THR A 80 -12.459 6.757 -1.848 1.00 0.00 H new ATOM 0 HG23 THR A 80 -11.114 6.134 -2.833 1.00 0.00 H new ATOM 1215 N THR A 81 -9.184 7.799 1.513 1.00 0.00 N ATOM 1216 CA THR A 81 -8.085 7.816 2.515 1.00 0.00 C ATOM 1217 C THR A 81 -8.561 7.126 3.798 1.00 0.00 C ATOM 1218 O THR A 81 -9.073 7.763 4.696 1.00 0.00 O ATOM 1219 CB THR A 81 -7.705 9.267 2.816 1.00 0.00 C ATOM 1220 OG1 THR A 81 -6.860 9.308 3.957 1.00 0.00 O ATOM 1221 CG2 THR A 81 -8.971 10.081 3.083 1.00 0.00 C ATOM 0 H THR A 81 -10.113 7.998 1.884 1.00 0.00 H new ATOM 0 HA THR A 81 -7.215 7.288 2.124 1.00 0.00 H new ATOM 0 HB THR A 81 -7.178 9.691 1.961 1.00 0.00 H new ATOM 0 HG1 THR A 81 -7.404 9.241 4.769 1.00 0.00 H new ATOM 0 HG21 THR A 81 -8.700 11.115 3.297 1.00 0.00 H new ATOM 0 HG22 THR A 81 -9.616 10.049 2.205 1.00 0.00 H new ATOM 0 HG23 THR A 81 -9.501 9.660 3.937 1.00 0.00 H new