USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=10 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 Single : A 1 MET CE :methyl -152:sc= -0.326 (180deg=-1.74!) USER MOD Single : A 1 MET N :NH3+ -166:sc= 0 (180deg=-0.157) USER MOD Single : A 2 GLN : amide:sc= -1.29 K(o=-1.3,f=-4.2!) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 5 SER OG : rot 180:sc= -0.0191 USER MOD Single : A 9 GLN : amide:sc= -0.114 X(o=-0.11,f=0) USER MOD Single : A 33 ASN : amide:sc= -0.19 X(o=-0.19,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0.01 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= -0.751 USER MOD Single : A 65 HIS : no HE2:sc= -3.39 K(o=-3.4,f=-4.4!) 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 -36:sc= 0.611 USER MOD Single : A 81 THR OG1 : rot -140:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.305 14.623 2.482 1.00 0.00 N ATOM 2 CA MET A 1 -1.754 13.352 3.034 1.00 0.00 C ATOM 3 C MET A 1 -2.110 13.234 4.514 1.00 0.00 C ATOM 4 O MET A 1 -1.519 13.873 5.361 1.00 0.00 O ATOM 5 CB MET A 1 -0.234 13.339 2.873 1.00 0.00 C ATOM 6 CG MET A 1 0.113 13.152 1.397 1.00 0.00 C ATOM 7 SD MET A 1 1.911 13.059 1.206 1.00 0.00 S ATOM 8 CE MET A 1 2.295 14.695 1.875 1.00 0.00 C ATOM 0 H1 MET A 1 -2.272 14.593 1.443 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.290 14.739 2.794 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.737 15.425 2.823 1.00 0.00 H new ATOM 0 HA MET A 1 -2.184 12.510 2.492 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.191 14.272 3.243 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.200 12.534 3.466 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.351 12.243 1.016 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.283 13.982 0.811 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.219 15.063 1.429 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.481 15.383 1.644 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.417 14.627 2.956 1.00 0.00 H new ATOM 20 N GLN A 2 -3.069 12.410 4.830 1.00 0.00 N ATOM 21 CA GLN A 2 -3.463 12.234 6.256 1.00 0.00 C ATOM 22 C GLN A 2 -2.915 10.898 6.757 1.00 0.00 C ATOM 23 O GLN A 2 -2.949 9.904 6.058 1.00 0.00 O ATOM 24 CB GLN A 2 -4.989 12.235 6.367 1.00 0.00 C ATOM 25 CG GLN A 2 -5.534 13.585 5.896 1.00 0.00 C ATOM 26 CD GLN A 2 -7.062 13.573 5.970 1.00 0.00 C ATOM 27 OE1 GLN A 2 -7.669 12.525 6.065 1.00 0.00 O ATOM 28 NE2 GLN A 2 -7.713 14.703 5.931 1.00 0.00 N ATOM 0 H GLN A 2 -3.598 11.850 4.162 1.00 0.00 H new ATOM 0 HA GLN A 2 -3.059 13.049 6.857 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -5.409 11.431 5.763 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -5.289 12.049 7.398 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -5.136 14.387 6.518 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -5.210 13.783 4.874 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -7.203 15.583 5.851 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -8.732 14.707 5.980 1.00 0.00 H new ATOM 37 N HIS A 3 -2.403 10.862 7.955 1.00 0.00 N ATOM 38 CA HIS A 3 -1.849 9.583 8.479 1.00 0.00 C ATOM 39 C HIS A 3 -0.842 9.030 7.470 1.00 0.00 C ATOM 40 O HIS A 3 -0.763 7.839 7.243 1.00 0.00 O ATOM 41 CB HIS A 3 -2.984 8.576 8.676 1.00 0.00 C ATOM 42 CG HIS A 3 -4.029 9.168 9.581 1.00 0.00 C ATOM 43 ND1 HIS A 3 -5.119 9.874 9.090 1.00 0.00 N ATOM 44 CD2 HIS A 3 -4.164 9.171 10.948 1.00 0.00 C ATOM 45 CE1 HIS A 3 -5.856 10.268 10.146 1.00 0.00 C ATOM 46 NE2 HIS A 3 -5.317 9.865 11.298 1.00 0.00 N ATOM 0 H HIS A 3 -2.344 11.657 8.591 1.00 0.00 H new ATOM 0 HA HIS A 3 -1.356 9.757 9.435 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -3.426 8.317 7.714 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -2.595 7.653 9.107 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -3.481 8.706 11.643 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -6.770 10.839 10.070 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -5.676 10.031 12.238 1.00 0.00 H new ATOM 55 N ALA A 4 -0.075 9.891 6.857 1.00 0.00 N ATOM 56 CA ALA A 4 0.923 9.424 5.854 1.00 0.00 C ATOM 57 C ALA A 4 1.896 8.445 6.514 1.00 0.00 C ATOM 58 O ALA A 4 2.369 7.514 5.893 1.00 0.00 O ATOM 59 CB ALA A 4 1.699 10.626 5.314 1.00 0.00 C ATOM 0 H ALA A 4 -0.097 10.899 7.008 1.00 0.00 H new ATOM 0 HA ALA A 4 0.407 8.923 5.035 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.430 10.287 4.580 1.00 0.00 H new ATOM 0 HB2 ALA A 4 1.007 11.323 4.842 1.00 0.00 H new ATOM 0 HB3 ALA A 4 2.214 11.125 6.135 1.00 0.00 H new ATOM 65 N SER A 5 2.203 8.647 7.767 1.00 0.00 N ATOM 66 CA SER A 5 3.148 7.724 8.456 1.00 0.00 C ATOM 67 C SER A 5 2.567 6.309 8.465 1.00 0.00 C ATOM 68 O SER A 5 3.283 5.333 8.364 1.00 0.00 O ATOM 69 CB SER A 5 3.365 8.196 9.894 1.00 0.00 C ATOM 70 OG SER A 5 2.160 8.029 10.629 1.00 0.00 O ATOM 0 H SER A 5 1.841 9.409 8.341 1.00 0.00 H new ATOM 0 HA SER A 5 4.101 7.721 7.927 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.170 7.626 10.359 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.669 9.243 9.904 1.00 0.00 H new ATOM 0 HG SER A 5 2.296 8.329 11.552 1.00 0.00 H new ATOM 76 N VAL A 6 1.273 6.190 8.578 1.00 0.00 N ATOM 77 CA VAL A 6 0.650 4.836 8.585 1.00 0.00 C ATOM 78 C VAL A 6 0.823 4.193 7.212 1.00 0.00 C ATOM 79 O VAL A 6 1.056 3.007 7.095 1.00 0.00 O ATOM 80 CB VAL A 6 -0.838 4.953 8.906 1.00 0.00 C ATOM 81 CG1 VAL A 6 -1.503 3.582 8.754 1.00 0.00 C ATOM 82 CG2 VAL A 6 -1.013 5.447 10.343 1.00 0.00 C ATOM 0 H VAL A 6 0.621 6.970 8.666 1.00 0.00 H new ATOM 0 HA VAL A 6 1.134 4.220 9.343 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.302 5.661 8.219 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -2.565 3.665 8.983 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -1.379 3.229 7.730 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.038 2.874 9.440 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -2.075 5.531 10.572 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.548 4.740 11.030 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.540 6.423 10.452 1.00 0.00 H new ATOM 92 N ILE A 7 0.705 4.967 6.170 1.00 0.00 N ATOM 93 CA ILE A 7 0.856 4.401 4.803 1.00 0.00 C ATOM 94 C ILE A 7 2.243 3.776 4.665 1.00 0.00 C ATOM 95 O ILE A 7 2.384 2.646 4.240 1.00 0.00 O ATOM 96 CB ILE A 7 0.689 5.518 3.774 1.00 0.00 C ATOM 97 CG1 ILE A 7 -0.707 6.131 3.922 1.00 0.00 C ATOM 98 CG2 ILE A 7 0.851 4.945 2.364 1.00 0.00 C ATOM 99 CD1 ILE A 7 -0.830 7.367 3.028 1.00 0.00 C ATOM 0 H ILE A 7 0.510 5.968 6.207 1.00 0.00 H new ATOM 0 HA ILE A 7 0.097 3.637 4.634 1.00 0.00 H new ATOM 0 HB ILE A 7 1.446 6.285 3.938 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.466 5.398 3.650 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -0.885 6.404 4.962 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.732 5.743 1.631 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.843 4.504 2.262 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.094 4.179 2.193 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.825 7.798 3.138 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.081 8.103 3.320 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.671 7.081 1.988 1.00 0.00 H new ATOM 111 N ALA A 8 3.267 4.493 5.030 1.00 0.00 N ATOM 112 CA ALA A 8 4.636 3.919 4.925 1.00 0.00 C ATOM 113 C ALA A 8 4.725 2.716 5.856 1.00 0.00 C ATOM 114 O ALA A 8 5.220 1.668 5.497 1.00 0.00 O ATOM 115 CB ALA A 8 5.669 4.966 5.344 1.00 0.00 C ATOM 0 H ALA A 8 3.217 5.445 5.394 1.00 0.00 H new ATOM 0 HA ALA A 8 4.836 3.617 3.897 1.00 0.00 H new ATOM 0 HB1 ALA A 8 6.670 4.541 5.266 1.00 0.00 H new ATOM 0 HB2 ALA A 8 5.591 5.835 4.691 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.483 5.269 6.375 1.00 0.00 H new ATOM 121 N GLN A 9 4.228 2.863 7.050 1.00 0.00 N ATOM 122 CA GLN A 9 4.254 1.737 8.020 1.00 0.00 C ATOM 123 C GLN A 9 3.435 0.576 7.461 1.00 0.00 C ATOM 124 O GLN A 9 3.774 -0.577 7.625 1.00 0.00 O ATOM 125 CB GLN A 9 3.636 2.204 9.341 1.00 0.00 C ATOM 126 CG GLN A 9 3.695 1.074 10.368 1.00 0.00 C ATOM 127 CD GLN A 9 2.296 0.832 10.937 1.00 0.00 C ATOM 128 OE1 GLN A 9 2.036 1.124 12.088 1.00 0.00 O ATOM 129 NE2 GLN A 9 1.377 0.309 10.173 1.00 0.00 N ATOM 0 H GLN A 9 3.802 3.722 7.398 1.00 0.00 H new ATOM 0 HA GLN A 9 5.281 1.413 8.187 1.00 0.00 H new ATOM 0 HB2 GLN A 9 4.172 3.076 9.715 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.602 2.509 9.181 1.00 0.00 H new ATOM 0 HG2 GLN A 9 4.073 0.164 9.902 1.00 0.00 H new ATOM 0 HG3 GLN A 9 4.386 1.332 11.170 1.00 0.00 H new ATOM 0 HE21 GLN A 9 1.595 0.064 9.207 1.00 0.00 H new ATOM 0 HE22 GLN A 9 0.440 0.145 10.541 1.00 0.00 H new ATOM 138 N PHE A 10 2.348 0.876 6.813 1.00 0.00 N ATOM 139 CA PHE A 10 1.487 -0.200 6.255 1.00 0.00 C ATOM 140 C PHE A 10 2.271 -1.007 5.215 1.00 0.00 C ATOM 141 O PHE A 10 2.337 -2.218 5.275 1.00 0.00 O ATOM 142 CB PHE A 10 0.271 0.453 5.592 1.00 0.00 C ATOM 143 CG PHE A 10 -0.805 -0.574 5.338 1.00 0.00 C ATOM 144 CD1 PHE A 10 -1.715 -0.892 6.354 1.00 0.00 C ATOM 145 CD2 PHE A 10 -0.907 -1.196 4.088 1.00 0.00 C ATOM 146 CE1 PHE A 10 -2.726 -1.830 6.121 1.00 0.00 C ATOM 147 CE2 PHE A 10 -1.918 -2.137 3.856 1.00 0.00 C ATOM 148 CZ PHE A 10 -2.827 -2.453 4.873 1.00 0.00 C ATOM 0 H PHE A 10 2.016 1.826 6.645 1.00 0.00 H new ATOM 0 HA PHE A 10 1.167 -0.873 7.050 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -0.118 1.246 6.231 1.00 0.00 H new ATOM 0 HB3 PHE A 10 0.568 0.918 4.652 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -1.636 -0.412 7.318 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -0.207 -0.950 3.303 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -3.428 -2.073 6.905 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -1.996 -2.619 2.893 1.00 0.00 H new ATOM 0 HZ PHE A 10 -3.607 -3.178 4.694 1.00 0.00 H new ATOM 158 N VAL A 11 2.858 -0.346 4.258 1.00 0.00 N ATOM 159 CA VAL A 11 3.630 -1.069 3.208 1.00 0.00 C ATOM 160 C VAL A 11 4.988 -1.544 3.745 1.00 0.00 C ATOM 161 O VAL A 11 5.386 -2.672 3.534 1.00 0.00 O ATOM 162 CB VAL A 11 3.853 -0.131 2.022 1.00 0.00 C ATOM 163 CG1 VAL A 11 2.502 0.337 1.479 1.00 0.00 C ATOM 164 CG2 VAL A 11 4.666 1.084 2.476 1.00 0.00 C ATOM 0 H VAL A 11 2.837 0.669 4.157 1.00 0.00 H new ATOM 0 HA VAL A 11 3.061 -1.946 2.899 1.00 0.00 H new ATOM 0 HB VAL A 11 4.396 -0.661 1.240 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.662 1.006 0.633 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.922 -0.527 1.154 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.959 0.866 2.262 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.825 1.752 1.630 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.123 1.613 3.259 1.00 0.00 H new ATOM 0 HG23 VAL A 11 5.630 0.753 2.863 1.00 0.00 H new ATOM 174 N VAL A 12 5.713 -0.686 4.414 1.00 0.00 N ATOM 175 CA VAL A 12 7.059 -1.077 4.936 1.00 0.00 C ATOM 176 C VAL A 12 6.941 -2.189 5.979 1.00 0.00 C ATOM 177 O VAL A 12 7.735 -3.108 6.008 1.00 0.00 O ATOM 178 CB VAL A 12 7.727 0.140 5.570 1.00 0.00 C ATOM 179 CG1 VAL A 12 9.020 -0.290 6.266 1.00 0.00 C ATOM 180 CG2 VAL A 12 8.052 1.167 4.482 1.00 0.00 C ATOM 0 H VAL A 12 5.431 0.272 4.623 1.00 0.00 H new ATOM 0 HA VAL A 12 7.659 -1.446 4.104 1.00 0.00 H new ATOM 0 HB VAL A 12 7.052 0.584 6.301 1.00 0.00 H new ATOM 0 HG11 VAL A 12 9.496 0.580 6.718 1.00 0.00 H new ATOM 0 HG12 VAL A 12 8.790 -1.022 7.040 1.00 0.00 H new ATOM 0 HG13 VAL A 12 9.696 -0.735 5.536 1.00 0.00 H new ATOM 0 HG21 VAL A 12 8.529 2.037 4.934 1.00 0.00 H new ATOM 0 HG22 VAL A 12 8.727 0.722 3.751 1.00 0.00 H new ATOM 0 HG23 VAL A 12 7.132 1.475 3.986 1.00 0.00 H new ATOM 190 N GLU A 13 5.968 -2.116 6.839 1.00 0.00 N ATOM 191 CA GLU A 13 5.823 -3.173 7.879 1.00 0.00 C ATOM 192 C GLU A 13 5.621 -4.529 7.206 1.00 0.00 C ATOM 193 O GLU A 13 6.043 -5.548 7.708 1.00 0.00 O ATOM 194 CB GLU A 13 4.624 -2.861 8.772 1.00 0.00 C ATOM 195 CG GLU A 13 4.531 -3.899 9.889 1.00 0.00 C ATOM 196 CD GLU A 13 3.266 -3.651 10.713 1.00 0.00 C ATOM 197 OE1 GLU A 13 2.535 -2.734 10.378 1.00 0.00 O ATOM 198 OE2 GLU A 13 3.051 -4.382 11.666 1.00 0.00 O ATOM 0 H GLU A 13 5.268 -1.374 6.869 1.00 0.00 H new ATOM 0 HA GLU A 13 6.726 -3.201 8.489 1.00 0.00 H new ATOM 0 HB2 GLU A 13 4.725 -1.863 9.198 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.708 -2.865 8.182 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.511 -4.903 9.466 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.412 -3.840 10.529 1.00 0.00 H new ATOM 205 N GLU A 14 4.972 -4.551 6.079 1.00 0.00 N ATOM 206 CA GLU A 14 4.737 -5.846 5.384 1.00 0.00 C ATOM 207 C GLU A 14 6.062 -6.442 4.901 1.00 0.00 C ATOM 208 O GLU A 14 6.253 -7.642 4.917 1.00 0.00 O ATOM 209 CB GLU A 14 3.822 -5.615 4.181 1.00 0.00 C ATOM 210 CG GLU A 14 3.466 -6.960 3.547 1.00 0.00 C ATOM 211 CD GLU A 14 2.634 -6.726 2.285 1.00 0.00 C ATOM 212 OE1 GLU A 14 2.402 -5.574 1.958 1.00 0.00 O ATOM 213 OE2 GLU A 14 2.243 -7.703 1.668 1.00 0.00 O ATOM 0 H GLU A 14 4.594 -3.729 5.608 1.00 0.00 H new ATOM 0 HA GLU A 14 4.270 -6.541 6.082 1.00 0.00 H new ATOM 0 HB2 GLU A 14 2.916 -5.097 4.494 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.318 -4.976 3.450 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.375 -7.509 3.300 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.907 -7.571 4.256 1.00 0.00 H new ATOM 220 N PHE A 15 6.971 -5.622 4.450 1.00 0.00 N ATOM 221 CA PHE A 15 8.268 -6.161 3.944 1.00 0.00 C ATOM 222 C PHE A 15 9.298 -6.259 5.074 1.00 0.00 C ATOM 223 O PHE A 15 9.892 -7.296 5.290 1.00 0.00 O ATOM 224 CB PHE A 15 8.817 -5.235 2.858 1.00 0.00 C ATOM 225 CG PHE A 15 7.754 -4.982 1.821 1.00 0.00 C ATOM 226 CD1 PHE A 15 7.404 -5.984 0.910 1.00 0.00 C ATOM 227 CD2 PHE A 15 7.121 -3.736 1.771 1.00 0.00 C ATOM 228 CE1 PHE A 15 6.417 -5.738 -0.053 1.00 0.00 C ATOM 229 CE2 PHE A 15 6.136 -3.489 0.811 1.00 0.00 C ATOM 230 CZ PHE A 15 5.784 -4.490 -0.101 1.00 0.00 C ATOM 0 H PHE A 15 6.874 -4.607 4.409 1.00 0.00 H new ATOM 0 HA PHE A 15 8.089 -7.157 3.540 1.00 0.00 H new ATOM 0 HB2 PHE A 15 9.140 -4.292 3.300 1.00 0.00 H new ATOM 0 HB3 PHE A 15 9.694 -5.685 2.392 1.00 0.00 H new ATOM 0 HD1 PHE A 15 7.894 -6.946 0.949 1.00 0.00 H new ATOM 0 HD2 PHE A 15 7.394 -2.964 2.475 1.00 0.00 H new ATOM 0 HE1 PHE A 15 6.145 -6.510 -0.758 1.00 0.00 H new ATOM 0 HE2 PHE A 15 5.647 -2.527 0.773 1.00 0.00 H new ATOM 0 HZ PHE A 15 5.023 -4.300 -0.843 1.00 0.00 H new ATOM 240 N LEU A 16 9.540 -5.178 5.773 1.00 0.00 N ATOM 241 CA LEU A 16 10.563 -5.204 6.861 1.00 0.00 C ATOM 242 C LEU A 16 9.980 -4.651 8.171 1.00 0.00 C ATOM 243 O LEU A 16 10.147 -3.493 8.499 1.00 0.00 O ATOM 244 CB LEU A 16 11.761 -4.355 6.421 1.00 0.00 C ATOM 245 CG LEU A 16 13.058 -5.106 6.725 1.00 0.00 C ATOM 246 CD1 LEU A 16 13.149 -6.347 5.836 1.00 0.00 C ATOM 247 CD2 LEU A 16 14.253 -4.192 6.445 1.00 0.00 C ATOM 0 H LEU A 16 9.074 -4.281 5.637 1.00 0.00 H new ATOM 0 HA LEU A 16 10.875 -6.233 7.041 1.00 0.00 H new ATOM 0 HB2 LEU A 16 11.695 -4.139 5.355 1.00 0.00 H new ATOM 0 HB3 LEU A 16 11.752 -3.397 6.942 1.00 0.00 H new ATOM 0 HG LEU A 16 13.066 -5.407 7.773 1.00 0.00 H new ATOM 0 HD11 LEU A 16 14.073 -6.883 6.052 1.00 0.00 H new ATOM 0 HD12 LEU A 16 12.298 -6.999 6.033 1.00 0.00 H new ATOM 0 HD13 LEU A 16 13.141 -6.046 4.789 1.00 0.00 H new ATOM 0 HD21 LEU A 16 15.178 -4.726 6.661 1.00 0.00 H new ATOM 0 HD22 LEU A 16 14.244 -3.892 5.397 1.00 0.00 H new ATOM 0 HD23 LEU A 16 14.189 -3.306 7.077 1.00 0.00 H new ATOM 259 N PRO A 17 9.307 -5.482 8.923 1.00 0.00 N ATOM 260 CA PRO A 17 8.703 -5.084 10.220 1.00 0.00 C ATOM 261 C PRO A 17 9.729 -5.072 11.360 1.00 0.00 C ATOM 262 O PRO A 17 9.530 -4.437 12.377 1.00 0.00 O ATOM 263 CB PRO A 17 7.632 -6.145 10.487 1.00 0.00 C ATOM 264 CG PRO A 17 7.818 -7.229 9.466 1.00 0.00 C ATOM 265 CD PRO A 17 9.046 -6.887 8.620 1.00 0.00 C ATOM 0 HA PRO A 17 8.303 -4.071 10.173 1.00 0.00 H new ATOM 0 HB2 PRO A 17 7.730 -6.546 11.496 1.00 0.00 H new ATOM 0 HB3 PRO A 17 6.634 -5.712 10.412 1.00 0.00 H new ATOM 0 HG2 PRO A 17 7.951 -8.193 9.956 1.00 0.00 H new ATOM 0 HG3 PRO A 17 6.933 -7.312 8.835 1.00 0.00 H new ATOM 0 HD2 PRO A 17 9.897 -7.516 8.881 1.00 0.00 H new ATOM 0 HD3 PRO A 17 8.853 -7.037 7.558 1.00 0.00 H new ATOM 273 N ASP A 18 10.824 -5.770 11.203 1.00 0.00 N ATOM 274 CA ASP A 18 11.849 -5.794 12.282 1.00 0.00 C ATOM 275 C ASP A 18 12.638 -4.485 12.259 1.00 0.00 C ATOM 276 O ASP A 18 13.464 -4.228 13.112 1.00 0.00 O ATOM 277 CB ASP A 18 12.796 -6.967 12.048 1.00 0.00 C ATOM 278 CG ASP A 18 12.042 -8.283 12.247 1.00 0.00 C ATOM 279 OD1 ASP A 18 10.936 -8.237 12.761 1.00 0.00 O ATOM 280 OD2 ASP A 18 12.583 -9.314 11.883 1.00 0.00 O ATOM 0 H ASP A 18 11.050 -6.322 10.376 1.00 0.00 H new ATOM 0 HA ASP A 18 11.363 -5.906 13.251 1.00 0.00 H new ATOM 0 HB2 ASP A 18 13.207 -6.920 11.039 1.00 0.00 H new ATOM 0 HB3 ASP A 18 13.638 -6.911 12.738 1.00 0.00 H new ATOM 285 N VAL A 19 12.372 -3.653 11.292 1.00 0.00 N ATOM 286 CA VAL A 19 13.078 -2.346 11.199 1.00 0.00 C ATOM 287 C VAL A 19 12.060 -1.230 11.424 1.00 0.00 C ATOM 288 O VAL A 19 10.919 -1.336 11.019 1.00 0.00 O ATOM 289 CB VAL A 19 13.711 -2.197 9.815 1.00 0.00 C ATOM 290 CG1 VAL A 19 14.463 -0.867 9.738 1.00 0.00 C ATOM 291 CG2 VAL A 19 14.693 -3.347 9.582 1.00 0.00 C ATOM 0 H VAL A 19 11.688 -3.825 10.555 1.00 0.00 H new ATOM 0 HA VAL A 19 13.865 -2.292 11.951 1.00 0.00 H new ATOM 0 HB VAL A 19 12.931 -2.219 9.054 1.00 0.00 H new ATOM 0 HG11 VAL A 19 14.914 -0.761 8.751 1.00 0.00 H new ATOM 0 HG12 VAL A 19 13.768 -0.045 9.909 1.00 0.00 H new ATOM 0 HG13 VAL A 19 15.244 -0.846 10.498 1.00 0.00 H new ATOM 0 HG21 VAL A 19 15.146 -3.244 8.596 1.00 0.00 H new ATOM 0 HG22 VAL A 19 15.472 -3.320 10.344 1.00 0.00 H new ATOM 0 HG23 VAL A 19 14.161 -4.297 9.640 1.00 0.00 H new ATOM 301 N ALA A 20 12.444 -0.166 12.070 1.00 0.00 N ATOM 302 CA ALA A 20 11.464 0.926 12.308 1.00 0.00 C ATOM 303 C ALA A 20 10.985 1.464 10.948 1.00 0.00 C ATOM 304 O ALA A 20 11.767 2.005 10.193 1.00 0.00 O ATOM 305 CB ALA A 20 12.148 2.055 13.082 1.00 0.00 C ATOM 0 H ALA A 20 13.381 -0.007 12.439 1.00 0.00 H new ATOM 0 HA ALA A 20 10.617 0.550 12.881 1.00 0.00 H new ATOM 0 HB1 ALA A 20 11.434 2.859 13.260 1.00 0.00 H new ATOM 0 HB2 ALA A 20 12.510 1.674 14.037 1.00 0.00 H new ATOM 0 HB3 ALA A 20 12.988 2.437 12.502 1.00 0.00 H new ATOM 311 N PRO A 21 9.715 1.323 10.626 1.00 0.00 N ATOM 312 CA PRO A 21 9.179 1.817 9.328 1.00 0.00 C ATOM 313 C PRO A 21 9.331 3.333 9.187 1.00 0.00 C ATOM 314 O PRO A 21 9.536 3.849 8.106 1.00 0.00 O ATOM 315 CB PRO A 21 7.698 1.423 9.321 1.00 0.00 C ATOM 316 CG PRO A 21 7.403 0.728 10.612 1.00 0.00 C ATOM 317 CD PRO A 21 8.678 0.686 11.452 1.00 0.00 C ATOM 0 HA PRO A 21 9.726 1.383 8.491 1.00 0.00 H new ATOM 0 HB2 PRO A 21 7.068 2.306 9.210 1.00 0.00 H new ATOM 0 HB3 PRO A 21 7.481 0.769 8.477 1.00 0.00 H new ATOM 0 HG2 PRO A 21 6.613 1.252 11.151 1.00 0.00 H new ATOM 0 HG3 PRO A 21 7.043 -0.283 10.422 1.00 0.00 H new ATOM 0 HD2 PRO A 21 8.545 1.218 12.394 1.00 0.00 H new ATOM 0 HD3 PRO A 21 8.950 -0.340 11.701 1.00 0.00 H new ATOM 325 N ALA A 22 9.245 4.048 10.273 1.00 0.00 N ATOM 326 CA ALA A 22 9.398 5.529 10.206 1.00 0.00 C ATOM 327 C ALA A 22 10.867 5.868 9.944 1.00 0.00 C ATOM 328 O ALA A 22 11.207 6.978 9.587 1.00 0.00 O ATOM 329 CB ALA A 22 8.958 6.150 11.533 1.00 0.00 C ATOM 0 H ALA A 22 9.075 3.671 11.206 1.00 0.00 H new ATOM 0 HA ALA A 22 8.779 5.927 9.401 1.00 0.00 H new ATOM 0 HB1 ALA A 22 9.070 7.233 11.483 1.00 0.00 H new ATOM 0 HB2 ALA A 22 7.914 5.902 11.722 1.00 0.00 H new ATOM 0 HB3 ALA A 22 9.576 5.758 12.341 1.00 0.00 H new ATOM 335 N ASP A 23 11.738 4.914 10.125 1.00 0.00 N ATOM 336 CA ASP A 23 13.188 5.165 9.894 1.00 0.00 C ATOM 337 C ASP A 23 13.558 4.727 8.479 1.00 0.00 C ATOM 338 O ASP A 23 14.711 4.738 8.095 1.00 0.00 O ATOM 339 CB ASP A 23 14.012 4.369 10.908 1.00 0.00 C ATOM 340 CG ASP A 23 13.755 4.912 12.315 1.00 0.00 C ATOM 341 OD1 ASP A 23 13.179 5.982 12.420 1.00 0.00 O ATOM 342 OD2 ASP A 23 14.138 4.248 13.264 1.00 0.00 O ATOM 0 H ASP A 23 11.506 3.967 10.424 1.00 0.00 H new ATOM 0 HA ASP A 23 13.398 6.228 10.013 1.00 0.00 H new ATOM 0 HB2 ASP A 23 13.745 3.313 10.860 1.00 0.00 H new ATOM 0 HB3 ASP A 23 15.073 4.441 10.667 1.00 0.00 H new ATOM 347 N VAL A 24 12.587 4.345 7.699 1.00 0.00 N ATOM 348 CA VAL A 24 12.878 3.910 6.306 1.00 0.00 C ATOM 349 C VAL A 24 12.528 5.050 5.353 1.00 0.00 C ATOM 350 O VAL A 24 11.517 5.706 5.501 1.00 0.00 O ATOM 351 CB VAL A 24 12.036 2.679 5.965 1.00 0.00 C ATOM 352 CG1 VAL A 24 12.388 2.194 4.558 1.00 0.00 C ATOM 353 CG2 VAL A 24 12.330 1.567 6.974 1.00 0.00 C ATOM 0 H VAL A 24 11.603 4.315 7.966 1.00 0.00 H new ATOM 0 HA VAL A 24 13.934 3.656 6.210 1.00 0.00 H new ATOM 0 HB VAL A 24 10.978 2.939 6.006 1.00 0.00 H new ATOM 0 HG11 VAL A 24 11.788 1.317 4.315 1.00 0.00 H new ATOM 0 HG12 VAL A 24 12.182 2.986 3.838 1.00 0.00 H new ATOM 0 HG13 VAL A 24 13.446 1.933 4.517 1.00 0.00 H new ATOM 0 HG21 VAL A 24 11.731 0.689 6.733 1.00 0.00 H new ATOM 0 HG22 VAL A 24 13.388 1.307 6.931 1.00 0.00 H new ATOM 0 HG23 VAL A 24 12.081 1.911 7.978 1.00 0.00 H new ATOM 363 N ASP A 25 13.358 5.300 4.380 1.00 0.00 N ATOM 364 CA ASP A 25 13.067 6.407 3.432 1.00 0.00 C ATOM 365 C ASP A 25 11.768 6.108 2.685 1.00 0.00 C ATOM 366 O ASP A 25 11.764 5.453 1.662 1.00 0.00 O ATOM 367 CB ASP A 25 14.215 6.534 2.429 1.00 0.00 C ATOM 368 CG ASP A 25 15.482 6.990 3.156 1.00 0.00 C ATOM 369 OD1 ASP A 25 15.368 7.407 4.297 1.00 0.00 O ATOM 370 OD2 ASP A 25 16.543 6.913 2.561 1.00 0.00 O ATOM 0 H ASP A 25 14.222 4.787 4.202 1.00 0.00 H new ATOM 0 HA ASP A 25 12.962 7.341 3.984 1.00 0.00 H new ATOM 0 HB2 ASP A 25 14.390 5.577 1.938 1.00 0.00 H new ATOM 0 HB3 ASP A 25 13.953 7.249 1.649 1.00 0.00 H new ATOM 375 N VAL A 26 10.663 6.589 3.188 1.00 0.00 N ATOM 376 CA VAL A 26 9.362 6.336 2.505 1.00 0.00 C ATOM 377 C VAL A 26 9.398 6.950 1.103 1.00 0.00 C ATOM 378 O VAL A 26 8.418 6.938 0.385 1.00 0.00 O ATOM 379 CB VAL A 26 8.233 6.976 3.313 1.00 0.00 C ATOM 380 CG1 VAL A 26 8.365 6.572 4.783 1.00 0.00 C ATOM 381 CG2 VAL A 26 8.322 8.499 3.194 1.00 0.00 C ATOM 0 H VAL A 26 10.605 7.145 4.041 1.00 0.00 H new ATOM 0 HA VAL A 26 9.191 5.262 2.428 1.00 0.00 H new ATOM 0 HB VAL A 26 7.272 6.636 2.927 1.00 0.00 H new ATOM 0 HG11 VAL A 26 7.560 7.028 5.359 1.00 0.00 H new ATOM 0 HG12 VAL A 26 8.303 5.487 4.869 1.00 0.00 H new ATOM 0 HG13 VAL A 26 9.326 6.912 5.169 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.517 8.957 3.770 1.00 0.00 H new ATOM 0 HG22 VAL A 26 9.283 8.839 3.580 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.229 8.788 2.147 1.00 0.00 H new ATOM 391 N ASP A 27 10.524 7.477 0.706 1.00 0.00 N ATOM 392 CA ASP A 27 10.630 8.081 -0.651 1.00 0.00 C ATOM 393 C ASP A 27 11.145 7.023 -1.627 1.00 0.00 C ATOM 394 O ASP A 27 11.508 7.318 -2.748 1.00 0.00 O ATOM 395 CB ASP A 27 11.606 9.260 -0.612 1.00 0.00 C ATOM 396 CG ASP A 27 11.021 10.379 0.251 1.00 0.00 C ATOM 397 OD1 ASP A 27 9.842 10.309 0.559 1.00 0.00 O ATOM 398 OD2 ASP A 27 11.762 11.288 0.590 1.00 0.00 O ATOM 0 H ASP A 27 11.377 7.515 1.265 1.00 0.00 H new ATOM 0 HA ASP A 27 9.651 8.436 -0.974 1.00 0.00 H new ATOM 0 HB2 ASP A 27 12.566 8.938 -0.207 1.00 0.00 H new ATOM 0 HB3 ASP A 27 11.792 9.625 -1.622 1.00 0.00 H new ATOM 403 N LEU A 28 11.183 5.788 -1.203 1.00 0.00 N ATOM 404 CA LEU A 28 11.678 4.704 -2.096 1.00 0.00 C ATOM 405 C LEU A 28 10.529 4.176 -2.945 1.00 0.00 C ATOM 406 O LEU A 28 9.448 3.915 -2.456 1.00 0.00 O ATOM 407 CB LEU A 28 12.244 3.564 -1.248 1.00 0.00 C ATOM 408 CG LEU A 28 12.872 2.506 -2.160 1.00 0.00 C ATOM 409 CD1 LEU A 28 14.133 3.071 -2.820 1.00 0.00 C ATOM 410 CD2 LEU A 28 13.243 1.276 -1.330 1.00 0.00 C ATOM 0 H LEU A 28 10.891 5.484 -0.274 1.00 0.00 H new ATOM 0 HA LEU A 28 12.458 5.100 -2.746 1.00 0.00 H new ATOM 0 HB2 LEU A 28 12.991 3.950 -0.554 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.452 3.117 -0.647 1.00 0.00 H new ATOM 0 HG LEU A 28 12.155 2.227 -2.932 1.00 0.00 H new ATOM 0 HD11 LEU A 28 14.575 2.314 -3.467 1.00 0.00 H new ATOM 0 HD12 LEU A 28 13.872 3.948 -3.413 1.00 0.00 H new ATOM 0 HD13 LEU A 28 14.851 3.354 -2.050 1.00 0.00 H new ATOM 0 HD21 LEU A 28 13.690 0.522 -1.977 1.00 0.00 H new ATOM 0 HD22 LEU A 28 13.957 1.560 -0.557 1.00 0.00 H new ATOM 0 HD23 LEU A 28 12.346 0.868 -0.863 1.00 0.00 H new ATOM 422 N ASP A 29 10.755 4.012 -4.218 1.00 0.00 N ATOM 423 CA ASP A 29 9.675 3.498 -5.095 1.00 0.00 C ATOM 424 C ASP A 29 9.328 2.073 -4.669 1.00 0.00 C ATOM 425 O ASP A 29 10.172 1.199 -4.647 1.00 0.00 O ATOM 426 CB ASP A 29 10.153 3.497 -6.549 1.00 0.00 C ATOM 427 CG ASP A 29 10.342 4.938 -7.026 1.00 0.00 C ATOM 428 OD1 ASP A 29 9.893 5.835 -6.331 1.00 0.00 O ATOM 429 OD2 ASP A 29 10.932 5.120 -8.078 1.00 0.00 O ATOM 0 H ASP A 29 11.639 4.212 -4.685 1.00 0.00 H new ATOM 0 HA ASP A 29 8.794 4.134 -5.009 1.00 0.00 H new ATOM 0 HB2 ASP A 29 11.091 2.949 -6.634 1.00 0.00 H new ATOM 0 HB3 ASP A 29 9.427 2.986 -7.181 1.00 0.00 H new ATOM 434 N LEU A 30 8.095 1.831 -4.324 1.00 0.00 N ATOM 435 CA LEU A 30 7.706 0.462 -3.894 1.00 0.00 C ATOM 436 C LEU A 30 7.950 -0.514 -5.044 1.00 0.00 C ATOM 437 O LEU A 30 7.884 -1.716 -4.875 1.00 0.00 O ATOM 438 CB LEU A 30 6.223 0.434 -3.508 1.00 0.00 C ATOM 439 CG LEU A 30 5.951 1.477 -2.424 1.00 0.00 C ATOM 440 CD1 LEU A 30 4.492 1.372 -1.974 1.00 0.00 C ATOM 441 CD2 LEU A 30 6.871 1.223 -1.228 1.00 0.00 C ATOM 0 H LEU A 30 7.343 2.520 -4.321 1.00 0.00 H new ATOM 0 HA LEU A 30 8.304 0.173 -3.029 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.606 0.636 -4.383 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.950 -0.558 -3.148 1.00 0.00 H new ATOM 0 HG LEU A 30 6.140 2.474 -2.822 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.295 2.115 -1.201 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.835 1.551 -2.825 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.305 0.375 -1.575 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.677 1.967 -0.455 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.682 0.227 -0.828 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.911 1.294 -1.547 1.00 0.00 H new ATOM 453 N VAL A 31 8.225 -0.010 -6.217 1.00 0.00 N ATOM 454 CA VAL A 31 8.462 -0.917 -7.373 1.00 0.00 C ATOM 455 C VAL A 31 9.484 -1.979 -6.974 1.00 0.00 C ATOM 456 O VAL A 31 9.358 -3.136 -7.326 1.00 0.00 O ATOM 457 CB VAL A 31 8.993 -0.111 -8.560 1.00 0.00 C ATOM 458 CG1 VAL A 31 10.458 0.255 -8.315 1.00 0.00 C ATOM 459 CG2 VAL A 31 8.885 -0.951 -9.834 1.00 0.00 C ATOM 0 H VAL A 31 8.295 0.987 -6.423 1.00 0.00 H new ATOM 0 HA VAL A 31 7.527 -1.398 -7.659 1.00 0.00 H new ATOM 0 HB VAL A 31 8.405 0.800 -8.672 1.00 0.00 H new ATOM 0 HG11 VAL A 31 10.836 0.829 -9.161 1.00 0.00 H new ATOM 0 HG12 VAL A 31 10.537 0.852 -7.407 1.00 0.00 H new ATOM 0 HG13 VAL A 31 11.047 -0.656 -8.203 1.00 0.00 H new ATOM 0 HG21 VAL A 31 9.263 -0.378 -10.681 1.00 0.00 H new ATOM 0 HG22 VAL A 31 9.473 -1.862 -9.720 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.842 -1.213 -10.010 1.00 0.00 H new ATOM 469 N ASP A 32 10.480 -1.609 -6.220 1.00 0.00 N ATOM 470 CA ASP A 32 11.481 -2.620 -5.783 1.00 0.00 C ATOM 471 C ASP A 32 10.723 -3.732 -5.063 1.00 0.00 C ATOM 472 O ASP A 32 11.019 -4.902 -5.197 1.00 0.00 O ATOM 473 CB ASP A 32 12.488 -1.975 -4.828 1.00 0.00 C ATOM 474 CG ASP A 32 13.336 -0.956 -5.591 1.00 0.00 C ATOM 475 OD1 ASP A 32 13.276 -0.960 -6.810 1.00 0.00 O ATOM 476 OD2 ASP A 32 14.031 -0.190 -4.944 1.00 0.00 O ATOM 0 H ASP A 32 10.644 -0.658 -5.890 1.00 0.00 H new ATOM 0 HA ASP A 32 12.027 -3.017 -6.639 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.964 -1.486 -4.007 1.00 0.00 H new ATOM 0 HB3 ASP A 32 13.128 -2.739 -4.387 1.00 0.00 H new ATOM 481 N ASN A 33 9.721 -3.356 -4.319 1.00 0.00 N ATOM 482 CA ASN A 33 8.890 -4.353 -3.597 1.00 0.00 C ATOM 483 C ASN A 33 7.772 -4.804 -4.534 1.00 0.00 C ATOM 484 O ASN A 33 6.776 -5.360 -4.115 1.00 0.00 O ATOM 485 CB ASN A 33 8.289 -3.713 -2.349 1.00 0.00 C ATOM 486 CG ASN A 33 9.413 -3.227 -1.435 1.00 0.00 C ATOM 487 OD1 ASN A 33 10.056 -4.015 -0.770 1.00 0.00 O ATOM 488 ND2 ASN A 33 9.683 -1.953 -1.380 1.00 0.00 N ATOM 0 H ASN A 33 9.440 -2.385 -4.180 1.00 0.00 H new ATOM 0 HA ASN A 33 9.498 -5.206 -3.295 1.00 0.00 H new ATOM 0 HB2 ASN A 33 7.646 -2.878 -2.629 1.00 0.00 H new ATOM 0 HB3 ASN A 33 7.664 -4.434 -1.823 1.00 0.00 H new ATOM 0 HD21 ASN A 33 10.435 -1.617 -0.778 1.00 0.00 H new ATOM 0 HD22 ASN A 33 9.143 -1.293 -1.939 1.00 0.00 H new ATOM 495 N GLY A 34 7.929 -4.535 -5.802 1.00 0.00 N ATOM 496 CA GLY A 34 6.885 -4.912 -6.796 1.00 0.00 C ATOM 497 C GLY A 34 6.348 -6.310 -6.493 1.00 0.00 C ATOM 498 O GLY A 34 5.311 -6.702 -6.985 1.00 0.00 O ATOM 0 H GLY A 34 8.745 -4.065 -6.195 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.070 -4.188 -6.771 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.304 -4.886 -7.802 1.00 0.00 H new ATOM 502 N VAL A 35 7.029 -7.067 -5.684 1.00 0.00 N ATOM 503 CA VAL A 35 6.520 -8.427 -5.367 1.00 0.00 C ATOM 504 C VAL A 35 5.064 -8.305 -4.914 1.00 0.00 C ATOM 505 O VAL A 35 4.232 -9.136 -5.221 1.00 0.00 O ATOM 506 CB VAL A 35 7.358 -9.042 -4.248 1.00 0.00 C ATOM 507 CG1 VAL A 35 6.932 -8.440 -2.913 1.00 0.00 C ATOM 508 CG2 VAL A 35 7.138 -10.556 -4.217 1.00 0.00 C ATOM 0 H VAL A 35 7.906 -6.808 -5.233 1.00 0.00 H new ATOM 0 HA VAL A 35 6.586 -9.066 -6.247 1.00 0.00 H new ATOM 0 HB VAL A 35 8.413 -8.834 -4.425 1.00 0.00 H new ATOM 0 HG11 VAL A 35 7.527 -8.876 -2.111 1.00 0.00 H new ATOM 0 HG12 VAL A 35 7.086 -7.361 -2.935 1.00 0.00 H new ATOM 0 HG13 VAL A 35 5.877 -8.652 -2.738 1.00 0.00 H new ATOM 0 HG21 VAL A 35 7.736 -10.994 -3.418 1.00 0.00 H new ATOM 0 HG22 VAL A 35 6.084 -10.767 -4.038 1.00 0.00 H new ATOM 0 HG23 VAL A 35 7.437 -10.987 -5.173 1.00 0.00 H new ATOM 518 N ILE A 36 4.754 -7.267 -4.187 1.00 0.00 N ATOM 519 CA ILE A 36 3.355 -7.069 -3.710 1.00 0.00 C ATOM 520 C ILE A 36 2.458 -6.623 -4.865 1.00 0.00 C ATOM 521 O ILE A 36 1.260 -6.790 -4.833 1.00 0.00 O ATOM 522 CB ILE A 36 3.338 -5.978 -2.645 1.00 0.00 C ATOM 523 CG1 ILE A 36 2.076 -6.128 -1.801 1.00 0.00 C ATOM 524 CG2 ILE A 36 3.334 -4.607 -3.324 1.00 0.00 C ATOM 525 CD1 ILE A 36 1.824 -4.843 -1.009 1.00 0.00 C ATOM 0 H ILE A 36 5.413 -6.543 -3.901 1.00 0.00 H new ATOM 0 HA ILE A 36 2.988 -8.012 -3.304 1.00 0.00 H new ATOM 0 HB ILE A 36 4.220 -6.067 -2.010 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.222 -6.343 -2.443 1.00 0.00 H new ATOM 0 HG13 ILE A 36 2.182 -6.971 -1.119 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.322 -3.825 -2.565 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.228 -4.503 -3.938 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.449 -4.515 -3.953 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.921 -4.957 -0.409 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.673 -4.647 -0.354 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.698 -4.009 -1.699 1.00 0.00 H new ATOM 537 N ASP A 37 3.026 -6.022 -5.864 1.00 0.00 N ATOM 538 CA ASP A 37 2.203 -5.523 -7.005 1.00 0.00 C ATOM 539 C ASP A 37 1.413 -6.660 -7.660 1.00 0.00 C ATOM 540 O ASP A 37 0.353 -6.436 -8.209 1.00 0.00 O ATOM 541 CB ASP A 37 3.108 -4.868 -8.050 1.00 0.00 C ATOM 542 CG ASP A 37 3.721 -3.594 -7.467 1.00 0.00 C ATOM 543 OD1 ASP A 37 3.290 -3.187 -6.401 1.00 0.00 O ATOM 544 OD2 ASP A 37 4.612 -3.047 -8.096 1.00 0.00 O ATOM 0 H ASP A 37 4.028 -5.851 -5.946 1.00 0.00 H new ATOM 0 HA ASP A 37 1.496 -4.792 -6.614 1.00 0.00 H new ATOM 0 HB2 ASP A 37 3.896 -5.559 -8.349 1.00 0.00 H new ATOM 0 HB3 ASP A 37 2.535 -4.631 -8.946 1.00 0.00 H new ATOM 549 N SER A 38 1.919 -7.865 -7.638 1.00 0.00 N ATOM 550 CA SER A 38 1.184 -8.987 -8.297 1.00 0.00 C ATOM 551 C SER A 38 0.642 -9.980 -7.264 1.00 0.00 C ATOM 552 O SER A 38 -0.552 -10.163 -7.138 1.00 0.00 O ATOM 553 CB SER A 38 2.133 -9.713 -9.250 1.00 0.00 C ATOM 554 OG SER A 38 3.449 -9.163 -9.116 1.00 0.00 O ATOM 0 H SER A 38 2.802 -8.121 -7.196 1.00 0.00 H new ATOM 0 HA SER A 38 0.338 -8.572 -8.845 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.147 -10.779 -9.025 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.785 -9.608 -10.278 1.00 0.00 H new ATOM 0 HG SER A 38 4.061 -9.627 -9.724 1.00 0.00 H new ATOM 559 N LEU A 39 1.502 -10.644 -6.545 1.00 0.00 N ATOM 560 CA LEU A 39 1.018 -11.645 -5.550 1.00 0.00 C ATOM 561 C LEU A 39 0.330 -10.946 -4.377 1.00 0.00 C ATOM 562 O LEU A 39 -0.769 -11.293 -3.994 1.00 0.00 O ATOM 563 CB LEU A 39 2.201 -12.462 -5.025 1.00 0.00 C ATOM 564 CG LEU A 39 2.751 -13.368 -6.130 1.00 0.00 C ATOM 565 CD1 LEU A 39 3.857 -12.637 -6.896 1.00 0.00 C ATOM 566 CD2 LEU A 39 3.326 -14.640 -5.503 1.00 0.00 C ATOM 0 H LEU A 39 2.515 -10.539 -6.601 1.00 0.00 H new ATOM 0 HA LEU A 39 0.301 -12.303 -6.041 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.985 -11.793 -4.670 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.886 -13.065 -4.173 1.00 0.00 H new ATOM 0 HG LEU A 39 1.946 -13.627 -6.818 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.245 -13.285 -7.681 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.451 -11.729 -7.343 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.663 -12.375 -6.210 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.718 -15.287 -6.288 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.129 -14.376 -4.815 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.541 -15.165 -4.959 1.00 0.00 H new ATOM 578 N GLY A 40 0.969 -9.971 -3.800 1.00 0.00 N ATOM 579 CA GLY A 40 0.351 -9.258 -2.647 1.00 0.00 C ATOM 580 C GLY A 40 -0.832 -8.420 -3.129 1.00 0.00 C ATOM 581 O GLY A 40 -1.831 -8.288 -2.451 1.00 0.00 O ATOM 0 H GLY A 40 1.892 -9.635 -4.075 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.018 -9.978 -1.899 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.090 -8.617 -2.166 1.00 0.00 H new ATOM 585 N LEU A 41 -0.717 -7.842 -4.289 1.00 0.00 N ATOM 586 CA LEU A 41 -1.821 -6.998 -4.820 1.00 0.00 C ATOM 587 C LEU A 41 -3.093 -7.829 -4.949 1.00 0.00 C ATOM 588 O LEU A 41 -4.170 -7.390 -4.600 1.00 0.00 O ATOM 589 CB LEU A 41 -1.417 -6.458 -6.193 1.00 0.00 C ATOM 590 CG LEU A 41 -2.471 -5.462 -6.693 1.00 0.00 C ATOM 591 CD1 LEU A 41 -1.878 -4.617 -7.821 1.00 0.00 C ATOM 592 CD2 LEU A 41 -3.709 -6.206 -7.216 1.00 0.00 C ATOM 0 H LEU A 41 0.099 -7.918 -4.896 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.009 -6.169 -4.137 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.444 -5.970 -6.130 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.316 -7.280 -6.901 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.768 -4.821 -5.863 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.626 -3.909 -8.177 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.010 -4.072 -7.450 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.574 -5.267 -8.642 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.446 -5.484 -7.567 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.420 -6.859 -8.040 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.140 -6.804 -6.413 1.00 0.00 H new ATOM 604 N LEU A 42 -2.982 -9.027 -5.441 1.00 0.00 N ATOM 605 CA LEU A 42 -4.196 -9.875 -5.584 1.00 0.00 C ATOM 606 C LEU A 42 -4.803 -10.115 -4.203 1.00 0.00 C ATOM 607 O LEU A 42 -5.999 -10.020 -4.012 1.00 0.00 O ATOM 608 CB LEU A 42 -3.813 -11.216 -6.216 1.00 0.00 C ATOM 609 CG LEU A 42 -5.071 -12.050 -6.454 1.00 0.00 C ATOM 610 CD1 LEU A 42 -5.917 -11.396 -7.543 1.00 0.00 C ATOM 611 CD2 LEU A 42 -4.671 -13.459 -6.900 1.00 0.00 C ATOM 0 H LEU A 42 -2.109 -9.456 -5.749 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.923 -9.372 -6.222 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.292 -11.049 -7.159 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.126 -11.754 -5.563 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.648 -12.109 -5.531 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.814 -11.991 -7.713 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.201 -10.392 -7.229 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.340 -11.338 -8.466 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.568 -14.055 -7.070 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.095 -13.399 -7.823 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.065 -13.928 -6.124 1.00 0.00 H new ATOM 623 N LYS A 43 -3.984 -10.420 -3.234 1.00 0.00 N ATOM 624 CA LYS A 43 -4.507 -10.660 -1.863 1.00 0.00 C ATOM 625 C LYS A 43 -4.955 -9.338 -1.232 1.00 0.00 C ATOM 626 O LYS A 43 -5.962 -9.271 -0.556 1.00 0.00 O ATOM 627 CB LYS A 43 -3.405 -11.283 -1.012 1.00 0.00 C ATOM 628 CG LYS A 43 -3.052 -12.666 -1.563 1.00 0.00 C ATOM 629 CD LYS A 43 -2.031 -13.338 -0.643 1.00 0.00 C ATOM 630 CE LYS A 43 -1.593 -14.670 -1.254 1.00 0.00 C ATOM 631 NZ LYS A 43 -0.343 -15.134 -0.589 1.00 0.00 N ATOM 0 H LYS A 43 -2.973 -10.513 -3.335 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.362 -11.334 -1.915 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.523 -10.643 -1.016 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.734 -11.366 0.024 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.950 -13.280 -1.637 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.645 -12.575 -2.570 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.167 -12.688 -0.504 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.467 -13.503 0.342 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.380 -15.414 -1.133 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.426 -14.554 -2.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.045 -16.040 -1.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.407 -14.426 -0.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.517 -15.260 0.428 1.00 0.00 H new ATOM 645 N VAL A 44 -4.202 -8.290 -1.432 1.00 0.00 N ATOM 646 CA VAL A 44 -4.567 -6.975 -0.828 1.00 0.00 C ATOM 647 C VAL A 44 -5.846 -6.427 -1.461 1.00 0.00 C ATOM 648 O VAL A 44 -6.740 -5.978 -0.776 1.00 0.00 O ATOM 649 CB VAL A 44 -3.428 -5.983 -1.052 1.00 0.00 C ATOM 650 CG1 VAL A 44 -3.863 -4.595 -0.580 1.00 0.00 C ATOM 651 CG2 VAL A 44 -2.202 -6.433 -0.256 1.00 0.00 C ATOM 0 H VAL A 44 -3.348 -8.287 -1.989 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.737 -7.115 0.239 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.179 -5.944 -2.113 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.051 -3.886 -0.739 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.739 -4.277 -1.145 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.109 -4.632 0.481 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.387 -5.727 -0.414 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.450 -6.470 0.805 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.894 -7.423 -0.591 1.00 0.00 H new ATOM 661 N ILE A 45 -5.945 -6.450 -2.758 1.00 0.00 N ATOM 662 CA ILE A 45 -7.170 -5.921 -3.411 1.00 0.00 C ATOM 663 C ILE A 45 -8.375 -6.762 -2.991 1.00 0.00 C ATOM 664 O ILE A 45 -9.426 -6.242 -2.678 1.00 0.00 O ATOM 665 CB ILE A 45 -6.999 -5.970 -4.930 1.00 0.00 C ATOM 666 CG1 ILE A 45 -6.472 -4.620 -5.422 1.00 0.00 C ATOM 667 CG2 ILE A 45 -8.344 -6.265 -5.595 1.00 0.00 C ATOM 668 CD1 ILE A 45 -5.199 -4.253 -4.658 1.00 0.00 C ATOM 0 H ILE A 45 -5.233 -6.811 -3.393 1.00 0.00 H new ATOM 0 HA ILE A 45 -7.333 -4.888 -3.104 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.292 -6.758 -5.189 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -6.265 -4.668 -6.491 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -7.229 -3.849 -5.278 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -8.215 -6.299 -6.677 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -8.720 -7.226 -5.244 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -9.056 -5.481 -5.338 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -4.827 -3.291 -5.011 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -5.420 -4.187 -3.593 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -4.441 -5.018 -4.825 1.00 0.00 H new ATOM 680 N ALA A 46 -8.233 -8.057 -2.984 1.00 0.00 N ATOM 681 CA ALA A 46 -9.375 -8.927 -2.587 1.00 0.00 C ATOM 682 C ALA A 46 -9.730 -8.685 -1.118 1.00 0.00 C ATOM 683 O ALA A 46 -10.884 -8.573 -0.759 1.00 0.00 O ATOM 684 CB ALA A 46 -8.977 -10.391 -2.777 1.00 0.00 C ATOM 0 H ALA A 46 -7.377 -8.551 -3.236 1.00 0.00 H new ATOM 0 HA ALA A 46 -10.241 -8.693 -3.207 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.808 -11.034 -2.488 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.728 -10.567 -3.823 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.111 -10.616 -2.155 1.00 0.00 H new ATOM 690 N TRP A 47 -8.748 -8.609 -0.263 1.00 0.00 N ATOM 691 CA TRP A 47 -9.035 -8.374 1.179 1.00 0.00 C ATOM 692 C TRP A 47 -9.333 -6.893 1.422 1.00 0.00 C ATOM 693 O TRP A 47 -10.299 -6.539 2.068 1.00 0.00 O ATOM 694 CB TRP A 47 -7.827 -8.796 2.011 1.00 0.00 C ATOM 695 CG TRP A 47 -7.770 -7.971 3.253 1.00 0.00 C ATOM 696 CD1 TRP A 47 -8.800 -7.760 4.103 1.00 0.00 C ATOM 697 CD2 TRP A 47 -6.637 -7.243 3.793 1.00 0.00 C ATOM 698 NE1 TRP A 47 -8.366 -6.945 5.134 1.00 0.00 N ATOM 699 CE2 TRP A 47 -7.037 -6.601 4.986 1.00 0.00 C ATOM 700 CE3 TRP A 47 -5.314 -7.084 3.362 1.00 0.00 C ATOM 701 CZ2 TRP A 47 -6.148 -5.823 5.729 1.00 0.00 C ATOM 702 CZ3 TRP A 47 -4.413 -6.303 4.104 1.00 0.00 C ATOM 703 CH2 TRP A 47 -4.830 -5.673 5.286 1.00 0.00 C ATOM 0 H TRP A 47 -7.760 -8.699 -0.501 1.00 0.00 H new ATOM 0 HA TRP A 47 -9.905 -8.962 1.471 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -7.898 -9.853 2.266 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -6.911 -8.669 1.434 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -9.797 -8.161 3.995 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -8.955 -6.637 5.907 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -4.984 -7.565 2.453 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -6.475 -5.341 6.638 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -3.395 -6.187 3.763 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -4.134 -5.073 5.853 1.00 0.00 H new ATOM 714 N LEU A 48 -8.493 -6.030 0.924 1.00 0.00 N ATOM 715 CA LEU A 48 -8.696 -4.569 1.135 1.00 0.00 C ATOM 716 C LEU A 48 -10.034 -4.120 0.539 1.00 0.00 C ATOM 717 O LEU A 48 -10.749 -3.335 1.130 1.00 0.00 O ATOM 718 CB LEU A 48 -7.561 -3.807 0.451 1.00 0.00 C ATOM 719 CG LEU A 48 -7.611 -2.339 0.853 1.00 0.00 C ATOM 720 CD1 LEU A 48 -6.896 -2.162 2.188 1.00 0.00 C ATOM 721 CD2 LEU A 48 -6.914 -1.497 -0.217 1.00 0.00 C ATOM 0 H LEU A 48 -7.669 -6.275 0.376 1.00 0.00 H new ATOM 0 HA LEU A 48 -8.702 -4.362 2.205 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.600 -4.238 0.732 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.648 -3.900 -0.631 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.648 -2.017 0.948 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.928 -1.113 2.482 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.390 -2.767 2.948 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.858 -2.480 2.090 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.948 -0.445 0.068 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.875 -1.814 -0.310 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.421 -1.631 -1.173 1.00 0.00 H new ATOM 733 N GLU A 49 -10.379 -4.597 -0.626 1.00 0.00 N ATOM 734 CA GLU A 49 -11.667 -4.175 -1.240 1.00 0.00 C ATOM 735 C GLU A 49 -12.830 -4.718 -0.410 1.00 0.00 C ATOM 736 O GLU A 49 -13.836 -4.061 -0.226 1.00 0.00 O ATOM 737 CB GLU A 49 -11.750 -4.717 -2.670 1.00 0.00 C ATOM 738 CG GLU A 49 -11.973 -6.225 -2.636 1.00 0.00 C ATOM 739 CD GLU A 49 -13.473 -6.523 -2.584 1.00 0.00 C ATOM 740 OE1 GLU A 49 -14.235 -5.596 -2.362 1.00 0.00 O ATOM 741 OE2 GLU A 49 -13.835 -7.674 -2.766 1.00 0.00 O ATOM 0 H GLU A 49 -9.828 -5.256 -1.175 1.00 0.00 H new ATOM 0 HA GLU A 49 -11.722 -3.087 -1.264 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -12.565 -4.231 -3.207 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -10.831 -4.488 -3.210 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.531 -6.688 -3.518 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.476 -6.656 -1.767 1.00 0.00 H new ATOM 748 N ASP A 50 -12.699 -5.911 0.099 1.00 0.00 N ATOM 749 CA ASP A 50 -13.790 -6.496 0.924 1.00 0.00 C ATOM 750 C ASP A 50 -13.937 -5.701 2.221 1.00 0.00 C ATOM 751 O ASP A 50 -15.029 -5.445 2.688 1.00 0.00 O ATOM 752 CB ASP A 50 -13.441 -7.944 1.258 1.00 0.00 C ATOM 753 CG ASP A 50 -14.642 -8.621 1.921 1.00 0.00 C ATOM 754 OD1 ASP A 50 -15.507 -9.088 1.198 1.00 0.00 O ATOM 755 OD2 ASP A 50 -14.676 -8.662 3.140 1.00 0.00 O ATOM 0 H ASP A 50 -11.880 -6.507 -0.022 1.00 0.00 H new ATOM 0 HA ASP A 50 -14.727 -6.458 0.369 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -13.163 -8.480 0.351 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -12.579 -7.977 1.924 1.00 0.00 H new ATOM 760 N ARG A 51 -12.838 -5.325 2.812 1.00 0.00 N ATOM 761 CA ARG A 51 -12.893 -4.563 4.091 1.00 0.00 C ATOM 762 C ARG A 51 -13.635 -3.236 3.901 1.00 0.00 C ATOM 763 O ARG A 51 -14.393 -2.822 4.755 1.00 0.00 O ATOM 764 CB ARG A 51 -11.467 -4.295 4.579 1.00 0.00 C ATOM 765 CG ARG A 51 -11.513 -3.583 5.932 1.00 0.00 C ATOM 766 CD ARG A 51 -10.125 -3.619 6.576 1.00 0.00 C ATOM 767 NE ARG A 51 -9.170 -2.821 5.758 1.00 0.00 N ATOM 768 CZ ARG A 51 -8.038 -2.429 6.277 1.00 0.00 C ATOM 769 NH1 ARG A 51 -7.755 -2.721 7.517 1.00 0.00 N ATOM 770 NH2 ARG A 51 -7.189 -1.747 5.558 1.00 0.00 N ATOM 0 H ARG A 51 -11.899 -5.514 2.462 1.00 0.00 H new ATOM 0 HA ARG A 51 -13.433 -5.154 4.831 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -10.920 -5.234 4.669 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -10.932 -3.683 3.853 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -11.838 -2.551 5.801 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -12.241 -4.066 6.584 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -10.173 -3.219 7.589 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -9.777 -4.649 6.656 1.00 0.00 H new ATOM 0 HE ARG A 51 -9.400 -2.581 4.794 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -8.418 -3.255 8.079 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -6.871 -2.415 7.924 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -7.409 -1.519 4.588 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -6.305 -1.442 5.966 1.00 0.00 H new ATOM 784 N PHE A 52 -13.422 -2.559 2.801 1.00 0.00 N ATOM 785 CA PHE A 52 -14.113 -1.260 2.584 1.00 0.00 C ATOM 786 C PHE A 52 -15.198 -1.416 1.519 1.00 0.00 C ATOM 787 O PHE A 52 -15.965 -0.508 1.266 1.00 0.00 O ATOM 788 CB PHE A 52 -13.083 -0.228 2.132 1.00 0.00 C ATOM 789 CG PHE A 52 -12.111 0.024 3.256 1.00 0.00 C ATOM 790 CD1 PHE A 52 -12.438 0.923 4.278 1.00 0.00 C ATOM 791 CD2 PHE A 52 -10.883 -0.648 3.281 1.00 0.00 C ATOM 792 CE1 PHE A 52 -11.537 1.149 5.325 1.00 0.00 C ATOM 793 CE2 PHE A 52 -9.983 -0.421 4.326 1.00 0.00 C ATOM 794 CZ PHE A 52 -10.309 0.477 5.349 1.00 0.00 C ATOM 0 H PHE A 52 -12.800 -2.852 2.047 1.00 0.00 H new ATOM 0 HA PHE A 52 -14.583 -0.932 3.511 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -12.553 -0.587 1.250 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -13.580 0.700 1.849 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -13.385 1.442 4.259 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -10.631 -1.342 2.493 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -11.789 1.842 6.114 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -9.035 -0.939 4.344 1.00 0.00 H new ATOM 0 HZ PHE A 52 -9.613 0.651 6.157 1.00 0.00 H new ATOM 804 N GLY A 53 -15.276 -2.558 0.895 1.00 0.00 N ATOM 805 CA GLY A 53 -16.321 -2.761 -0.146 1.00 0.00 C ATOM 806 C GLY A 53 -16.052 -1.831 -1.329 1.00 0.00 C ATOM 807 O GLY A 53 -16.964 -1.305 -1.936 1.00 0.00 O ATOM 0 H GLY A 53 -14.664 -3.357 1.060 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -16.321 -3.799 -0.479 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -17.308 -2.560 0.271 1.00 0.00 H new ATOM 811 N ILE A 54 -14.808 -1.615 -1.661 1.00 0.00 N ATOM 812 CA ILE A 54 -14.494 -0.709 -2.805 1.00 0.00 C ATOM 813 C ILE A 54 -14.321 -1.533 -4.082 1.00 0.00 C ATOM 814 O ILE A 54 -13.527 -2.446 -4.140 1.00 0.00 O ATOM 815 CB ILE A 54 -13.197 0.045 -2.511 1.00 0.00 C ATOM 816 CG1 ILE A 54 -13.353 0.836 -1.211 1.00 0.00 C ATOM 817 CG2 ILE A 54 -12.895 1.009 -3.659 1.00 0.00 C ATOM 818 CD1 ILE A 54 -11.981 1.323 -0.743 1.00 0.00 C ATOM 0 H ILE A 54 -13.999 -2.024 -1.193 1.00 0.00 H new ATOM 0 HA ILE A 54 -15.311 0.000 -2.940 1.00 0.00 H new ATOM 0 HB ILE A 54 -12.378 -0.667 -2.410 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -14.018 1.685 -1.367 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -13.810 0.210 -0.444 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -11.970 1.546 -3.449 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -12.786 0.447 -4.587 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -13.714 1.721 -3.761 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -12.092 1.887 0.183 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -11.330 0.466 -0.571 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -11.542 1.964 -1.508 1.00 0.00 H new ATOM 830 N ALA A 55 -15.059 -1.215 -5.109 1.00 0.00 N ATOM 831 CA ALA A 55 -14.933 -1.982 -6.381 1.00 0.00 C ATOM 832 C ALA A 55 -13.559 -1.725 -7.000 1.00 0.00 C ATOM 833 O ALA A 55 -13.066 -0.614 -7.004 1.00 0.00 O ATOM 834 CB ALA A 55 -16.024 -1.534 -7.356 1.00 0.00 C ATOM 0 H ALA A 55 -15.743 -0.459 -5.123 1.00 0.00 H new ATOM 0 HA ALA A 55 -15.044 -3.047 -6.175 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -15.933 -2.094 -8.287 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -17.004 -1.719 -6.916 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -15.914 -0.469 -7.561 1.00 0.00 H new ATOM 840 N ALA A 56 -12.936 -2.744 -7.527 1.00 0.00 N ATOM 841 CA ALA A 56 -11.596 -2.557 -8.150 1.00 0.00 C ATOM 842 C ALA A 56 -11.728 -1.655 -9.380 1.00 0.00 C ATOM 843 O ALA A 56 -10.817 -0.934 -9.736 1.00 0.00 O ATOM 844 CB ALA A 56 -11.035 -3.917 -8.571 1.00 0.00 C ATOM 0 H ALA A 56 -13.298 -3.697 -7.553 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.921 -2.094 -7.430 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -10.054 -3.781 -9.027 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -10.942 -4.559 -7.695 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -11.709 -4.381 -9.291 1.00 0.00 H new ATOM 850 N ASP A 57 -12.858 -1.695 -10.032 1.00 0.00 N ATOM 851 CA ASP A 57 -13.059 -0.847 -11.242 1.00 0.00 C ATOM 852 C ASP A 57 -12.822 0.623 -10.889 1.00 0.00 C ATOM 853 O ASP A 57 -12.332 1.392 -11.691 1.00 0.00 O ATOM 854 CB ASP A 57 -14.487 -1.024 -11.755 1.00 0.00 C ATOM 855 CG ASP A 57 -14.664 -2.443 -12.296 1.00 0.00 C ATOM 856 OD1 ASP A 57 -13.664 -3.125 -12.455 1.00 0.00 O ATOM 857 OD2 ASP A 57 -15.796 -2.825 -12.543 1.00 0.00 O ATOM 0 H ASP A 57 -13.654 -2.281 -9.778 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.353 -1.149 -12.015 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -15.199 -0.839 -10.951 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -14.696 -0.296 -12.539 1.00 0.00 H new ATOM 862 N ASP A 58 -13.171 1.021 -9.697 1.00 0.00 N ATOM 863 CA ASP A 58 -12.971 2.442 -9.297 1.00 0.00 C ATOM 864 C ASP A 58 -11.524 2.855 -9.572 1.00 0.00 C ATOM 865 O ASP A 58 -11.251 3.981 -9.939 1.00 0.00 O ATOM 866 CB ASP A 58 -13.272 2.599 -7.807 1.00 0.00 C ATOM 867 CG ASP A 58 -14.768 2.394 -7.563 1.00 0.00 C ATOM 868 OD1 ASP A 58 -15.507 2.359 -8.533 1.00 0.00 O ATOM 869 OD2 ASP A 58 -15.149 2.277 -6.410 1.00 0.00 O ATOM 0 H ASP A 58 -13.586 0.423 -8.982 1.00 0.00 H new ATOM 0 HA ASP A 58 -13.643 3.078 -9.873 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.696 1.875 -7.231 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -12.970 3.589 -7.467 1.00 0.00 H new ATOM 874 N VAL A 59 -10.597 1.953 -9.396 1.00 0.00 N ATOM 875 CA VAL A 59 -9.165 2.290 -9.645 1.00 0.00 C ATOM 876 C VAL A 59 -8.548 1.245 -10.577 1.00 0.00 C ATOM 877 O VAL A 59 -8.864 0.074 -10.509 1.00 0.00 O ATOM 878 CB VAL A 59 -8.406 2.299 -8.317 1.00 0.00 C ATOM 879 CG1 VAL A 59 -8.387 0.887 -7.730 1.00 0.00 C ATOM 880 CG2 VAL A 59 -6.969 2.770 -8.555 1.00 0.00 C ATOM 0 H VAL A 59 -10.769 0.995 -9.090 1.00 0.00 H new ATOM 0 HA VAL A 59 -9.099 3.274 -10.109 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.901 2.976 -7.621 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -7.846 0.894 -6.784 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -9.410 0.549 -7.561 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -7.892 0.210 -8.426 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.427 2.777 -7.609 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.475 2.093 -9.252 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -6.981 3.776 -8.974 1.00 0.00 H new ATOM 890 N GLU A 60 -7.670 1.660 -11.450 1.00 0.00 N ATOM 891 CA GLU A 60 -7.033 0.692 -12.387 1.00 0.00 C ATOM 892 C GLU A 60 -5.737 0.165 -11.771 1.00 0.00 C ATOM 893 O GLU A 60 -5.019 0.882 -11.102 1.00 0.00 O ATOM 894 CB GLU A 60 -6.722 1.390 -13.712 1.00 0.00 C ATOM 895 CG GLU A 60 -6.192 0.368 -14.712 1.00 0.00 C ATOM 896 CD GLU A 60 -5.793 1.078 -16.008 1.00 0.00 C ATOM 897 OE1 GLU A 60 -5.917 2.290 -16.058 1.00 0.00 O ATOM 898 OE2 GLU A 60 -5.371 0.396 -16.927 1.00 0.00 O ATOM 0 H GLU A 60 -7.367 2.628 -11.554 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.714 -0.139 -12.568 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.621 1.866 -14.104 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.985 2.178 -13.556 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.333 -0.155 -14.292 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.954 -0.384 -14.917 1.00 0.00 H new ATOM 905 N LEU A 61 -5.434 -1.086 -11.984 1.00 0.00 N ATOM 906 CA LEU A 61 -4.189 -1.659 -11.404 1.00 0.00 C ATOM 907 C LEU A 61 -3.040 -1.511 -12.404 1.00 0.00 C ATOM 908 O LEU A 61 -3.185 -1.789 -13.578 1.00 0.00 O ATOM 909 CB LEU A 61 -4.415 -3.141 -11.103 1.00 0.00 C ATOM 910 CG LEU A 61 -5.675 -3.300 -10.255 1.00 0.00 C ATOM 911 CD1 LEU A 61 -5.866 -4.772 -9.890 1.00 0.00 C ATOM 912 CD2 LEU A 61 -5.537 -2.470 -8.977 1.00 0.00 C ATOM 0 H LEU A 61 -5.995 -1.735 -12.535 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.935 -1.130 -10.485 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.516 -3.701 -12.033 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.554 -3.552 -10.575 1.00 0.00 H new ATOM 0 HG LEU A 61 -6.539 -2.954 -10.822 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -6.766 -4.883 -9.285 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.966 -5.363 -10.801 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.003 -5.121 -9.324 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.436 -2.583 -8.371 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.672 -2.815 -8.411 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.405 -1.420 -9.238 1.00 0.00 H new ATOM 924 N SER A 62 -1.897 -1.075 -11.947 1.00 0.00 N ATOM 925 CA SER A 62 -0.737 -0.910 -12.867 1.00 0.00 C ATOM 926 C SER A 62 0.534 -0.683 -12.043 1.00 0.00 C ATOM 927 O SER A 62 0.476 -0.239 -10.914 1.00 0.00 O ATOM 928 CB SER A 62 -0.980 0.296 -13.774 1.00 0.00 C ATOM 929 OG SER A 62 -0.824 -0.097 -15.131 1.00 0.00 O ATOM 0 H SER A 62 -1.717 -0.826 -10.974 1.00 0.00 H new ATOM 0 HA SER A 62 -0.620 -1.806 -13.476 1.00 0.00 H new ATOM 0 HB2 SER A 62 -1.982 0.692 -13.611 1.00 0.00 H new ATOM 0 HB3 SER A 62 -0.279 1.095 -13.532 1.00 0.00 H new ATOM 0 HG SER A 62 -0.981 0.674 -15.715 1.00 0.00 H new ATOM 935 N PRO A 63 1.676 -0.981 -12.606 1.00 0.00 N ATOM 936 CA PRO A 63 2.984 -0.800 -11.912 1.00 0.00 C ATOM 937 C PRO A 63 3.242 0.668 -11.567 1.00 0.00 C ATOM 938 O PRO A 63 3.911 0.985 -10.604 1.00 0.00 O ATOM 939 CB PRO A 63 4.023 -1.307 -12.919 1.00 0.00 C ATOM 940 CG PRO A 63 3.333 -1.332 -14.244 1.00 0.00 C ATOM 941 CD PRO A 63 1.844 -1.516 -13.963 1.00 0.00 C ATOM 0 HA PRO A 63 3.016 -1.337 -10.964 1.00 0.00 H new ATOM 0 HB2 PRO A 63 4.894 -0.652 -12.945 1.00 0.00 H new ATOM 0 HB3 PRO A 63 4.379 -2.300 -12.646 1.00 0.00 H new ATOM 0 HG2 PRO A 63 3.512 -0.406 -14.790 1.00 0.00 H new ATOM 0 HG3 PRO A 63 3.713 -2.145 -14.862 1.00 0.00 H new ATOM 0 HD2 PRO A 63 1.231 -0.976 -14.685 1.00 0.00 H new ATOM 0 HD3 PRO A 63 1.553 -2.565 -14.019 1.00 0.00 H new ATOM 949 N GLU A 64 2.705 1.565 -12.347 1.00 0.00 N ATOM 950 CA GLU A 64 2.904 3.014 -12.071 1.00 0.00 C ATOM 951 C GLU A 64 2.259 3.364 -10.730 1.00 0.00 C ATOM 952 O GLU A 64 2.669 4.285 -10.053 1.00 0.00 O ATOM 953 CB GLU A 64 2.256 3.839 -13.181 1.00 0.00 C ATOM 954 CG GLU A 64 2.969 3.570 -14.502 1.00 0.00 C ATOM 955 CD GLU A 64 2.366 4.449 -15.599 1.00 0.00 C ATOM 956 OE1 GLU A 64 1.351 5.075 -15.338 1.00 0.00 O ATOM 957 OE2 GLU A 64 2.929 4.482 -16.680 1.00 0.00 O ATOM 0 H GLU A 64 2.135 1.355 -13.166 1.00 0.00 H new ATOM 0 HA GLU A 64 3.970 3.236 -12.033 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.200 3.584 -13.268 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.309 4.900 -12.937 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.034 3.777 -14.401 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.873 2.518 -14.771 1.00 0.00 H new ATOM 964 N HIS A 65 1.248 2.634 -10.344 1.00 0.00 N ATOM 965 CA HIS A 65 0.570 2.923 -9.049 1.00 0.00 C ATOM 966 C HIS A 65 1.521 2.612 -7.893 1.00 0.00 C ATOM 967 O HIS A 65 1.423 3.181 -6.825 1.00 0.00 O ATOM 968 CB HIS A 65 -0.680 2.050 -8.929 1.00 0.00 C ATOM 969 CG HIS A 65 -1.378 2.343 -7.630 1.00 0.00 C ATOM 970 ND1 HIS A 65 -1.985 3.565 -7.374 1.00 0.00 N ATOM 971 CD2 HIS A 65 -1.574 1.583 -6.503 1.00 0.00 C ATOM 972 CE1 HIS A 65 -2.513 3.504 -6.137 1.00 0.00 C ATOM 973 NE2 HIS A 65 -2.289 2.320 -5.566 1.00 0.00 N ATOM 0 H HIS A 65 0.862 1.850 -10.870 1.00 0.00 H new ATOM 0 HA HIS A 65 0.288 3.975 -9.011 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -1.352 2.242 -9.766 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -0.406 0.996 -8.976 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -2.024 4.363 -8.008 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -1.226 0.570 -6.366 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -3.051 4.313 -5.666 1.00 0.00 H new ATOM 982 N PHE A 66 2.439 1.710 -8.096 1.00 0.00 N ATOM 983 CA PHE A 66 3.394 1.358 -7.009 1.00 0.00 C ATOM 984 C PHE A 66 4.727 2.073 -7.244 1.00 0.00 C ATOM 985 O PHE A 66 5.693 1.852 -6.541 1.00 0.00 O ATOM 986 CB PHE A 66 3.614 -0.156 -7.008 1.00 0.00 C ATOM 987 CG PHE A 66 2.308 -0.845 -6.698 1.00 0.00 C ATOM 988 CD1 PHE A 66 1.957 -1.118 -5.370 1.00 0.00 C ATOM 989 CD2 PHE A 66 1.445 -1.209 -7.739 1.00 0.00 C ATOM 990 CE1 PHE A 66 0.744 -1.755 -5.083 1.00 0.00 C ATOM 991 CE2 PHE A 66 0.232 -1.845 -7.452 1.00 0.00 C ATOM 992 CZ PHE A 66 -0.119 -2.118 -6.124 1.00 0.00 C ATOM 0 H PHE A 66 2.570 1.200 -8.970 1.00 0.00 H new ATOM 0 HA PHE A 66 2.987 1.670 -6.047 1.00 0.00 H new ATOM 0 HB2 PHE A 66 3.990 -0.482 -7.978 1.00 0.00 H new ATOM 0 HB3 PHE A 66 4.367 -0.426 -6.267 1.00 0.00 H new ATOM 0 HD1 PHE A 66 2.622 -0.837 -4.567 1.00 0.00 H new ATOM 0 HD2 PHE A 66 1.716 -0.999 -8.763 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.474 -1.966 -4.059 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.434 -2.125 -8.255 1.00 0.00 H new ATOM 0 HZ PHE A 66 -1.055 -2.609 -5.903 1.00 0.00 H new ATOM 1002 N ARG A 67 4.787 2.924 -8.230 1.00 0.00 N ATOM 1003 CA ARG A 67 6.059 3.649 -8.514 1.00 0.00 C ATOM 1004 C ARG A 67 6.507 4.418 -7.266 1.00 0.00 C ATOM 1005 O ARG A 67 7.680 4.485 -6.962 1.00 0.00 O ATOM 1006 CB ARG A 67 5.835 4.630 -9.672 1.00 0.00 C ATOM 1007 CG ARG A 67 7.154 5.307 -10.067 1.00 0.00 C ATOM 1008 CD ARG A 67 7.975 4.378 -10.969 1.00 0.00 C ATOM 1009 NE ARG A 67 9.237 5.064 -11.366 1.00 0.00 N ATOM 1010 CZ ARG A 67 9.236 5.908 -12.362 1.00 0.00 C ATOM 1011 NH1 ARG A 67 8.129 6.151 -13.009 1.00 0.00 N ATOM 1012 NH2 ARG A 67 10.341 6.508 -12.709 1.00 0.00 N ATOM 0 H ARG A 67 4.011 3.150 -8.852 1.00 0.00 H new ATOM 0 HA ARG A 67 6.833 2.932 -8.788 1.00 0.00 H new ATOM 0 HB2 ARG A 67 5.420 4.100 -10.530 1.00 0.00 H new ATOM 0 HB3 ARG A 67 5.105 5.385 -9.380 1.00 0.00 H new ATOM 0 HG2 ARG A 67 6.950 6.243 -10.586 1.00 0.00 H new ATOM 0 HG3 ARG A 67 7.725 5.557 -9.173 1.00 0.00 H new ATOM 0 HD2 ARG A 67 8.202 3.450 -10.444 1.00 0.00 H new ATOM 0 HD3 ARG A 67 7.399 4.110 -11.855 1.00 0.00 H new ATOM 0 HE ARG A 67 10.102 4.874 -10.859 1.00 0.00 H new ATOM 0 HH11 ARG A 67 7.265 5.682 -12.736 1.00 0.00 H new ATOM 0 HH12 ARG A 67 8.127 6.810 -13.787 1.00 0.00 H new ATOM 0 HH21 ARG A 67 11.205 6.318 -12.202 1.00 0.00 H new ATOM 0 HH22 ARG A 67 10.341 7.167 -13.487 1.00 0.00 H new ATOM 1026 N SER A 68 5.590 5.003 -6.544 1.00 0.00 N ATOM 1027 CA SER A 68 5.986 5.766 -5.324 1.00 0.00 C ATOM 1028 C SER A 68 4.857 5.726 -4.292 1.00 0.00 C ATOM 1029 O SER A 68 3.690 5.741 -4.630 1.00 0.00 O ATOM 1030 CB SER A 68 6.279 7.216 -5.705 1.00 0.00 C ATOM 1031 OG SER A 68 6.727 7.922 -4.555 1.00 0.00 O ATOM 0 H SER A 68 4.590 4.987 -6.744 1.00 0.00 H new ATOM 0 HA SER A 68 6.879 5.313 -4.892 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.038 7.253 -6.487 1.00 0.00 H new ATOM 0 HB3 SER A 68 5.382 7.686 -6.108 1.00 0.00 H new ATOM 0 HG SER A 68 6.918 8.853 -4.796 1.00 0.00 H new ATOM 1037 N ILE A 69 5.199 5.679 -3.031 1.00 0.00 N ATOM 1038 CA ILE A 69 4.160 5.642 -1.971 1.00 0.00 C ATOM 1039 C ILE A 69 3.319 6.921 -2.018 1.00 0.00 C ATOM 1040 O ILE A 69 2.128 6.901 -1.781 1.00 0.00 O ATOM 1041 CB ILE A 69 4.848 5.542 -0.612 1.00 0.00 C ATOM 1042 CG1 ILE A 69 5.692 4.276 -0.555 1.00 0.00 C ATOM 1043 CG2 ILE A 69 3.797 5.481 0.482 1.00 0.00 C ATOM 1044 CD1 ILE A 69 6.526 4.273 0.727 1.00 0.00 C ATOM 0 H ILE A 69 6.161 5.665 -2.692 1.00 0.00 H new ATOM 0 HA ILE A 69 3.509 4.782 -2.129 1.00 0.00 H new ATOM 0 HB ILE A 69 5.485 6.415 -0.469 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.049 3.396 -0.585 1.00 0.00 H new ATOM 0 HG13 ILE A 69 6.345 4.223 -1.426 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.287 5.410 1.453 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.185 6.383 0.449 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.164 4.607 0.330 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.130 3.366 0.766 1.00 0.00 H new ATOM 0 HD12 ILE A 69 7.180 5.145 0.738 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.864 4.306 1.592 1.00 0.00 H new ATOM 1056 N ARG A 70 3.934 8.036 -2.307 1.00 0.00 N ATOM 1057 CA ARG A 70 3.174 9.318 -2.350 1.00 0.00 C ATOM 1058 C ARG A 70 2.076 9.248 -3.414 1.00 0.00 C ATOM 1059 O ARG A 70 0.973 9.713 -3.206 1.00 0.00 O ATOM 1060 CB ARG A 70 4.131 10.463 -2.686 1.00 0.00 C ATOM 1061 CG ARG A 70 3.379 11.794 -2.616 1.00 0.00 C ATOM 1062 CD ARG A 70 4.343 12.943 -2.914 1.00 0.00 C ATOM 1063 NE ARG A 70 4.747 12.894 -4.347 1.00 0.00 N ATOM 1064 CZ ARG A 70 5.293 13.938 -4.908 1.00 0.00 C ATOM 1065 NH1 ARG A 70 5.487 15.025 -4.213 1.00 0.00 N ATOM 1066 NH2 ARG A 70 5.646 13.895 -6.164 1.00 0.00 N ATOM 0 H ARG A 70 4.929 8.114 -2.515 1.00 0.00 H new ATOM 0 HA ARG A 70 2.715 9.491 -1.377 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.968 10.469 -1.987 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.549 10.321 -3.683 1.00 0.00 H new ATOM 0 HG2 ARG A 70 2.559 11.798 -3.334 1.00 0.00 H new ATOM 0 HG3 ARG A 70 2.938 11.923 -1.628 1.00 0.00 H new ATOM 0 HD2 ARG A 70 3.867 13.898 -2.692 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.223 12.869 -2.274 1.00 0.00 H new ATOM 0 HE ARG A 70 4.597 12.044 -4.890 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.212 15.059 -3.231 1.00 0.00 H new ATOM 0 HH12 ARG A 70 5.914 15.841 -4.651 1.00 0.00 H new ATOM 0 HH21 ARG A 70 5.495 13.045 -6.707 1.00 0.00 H new ATOM 0 HH22 ARG A 70 6.073 14.711 -6.602 1.00 0.00 H new ATOM 1080 N SER A 71 2.362 8.679 -4.553 1.00 0.00 N ATOM 1081 CA SER A 71 1.324 8.596 -5.616 1.00 0.00 C ATOM 1082 C SER A 71 0.125 7.799 -5.100 1.00 0.00 C ATOM 1083 O SER A 71 -1.012 8.190 -5.272 1.00 0.00 O ATOM 1084 CB SER A 71 1.915 7.897 -6.838 1.00 0.00 C ATOM 1085 OG SER A 71 3.111 8.560 -7.227 1.00 0.00 O ATOM 0 H SER A 71 3.265 8.270 -4.792 1.00 0.00 H new ATOM 0 HA SER A 71 0.997 9.599 -5.889 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.123 6.852 -6.608 1.00 0.00 H new ATOM 0 HB3 SER A 71 1.198 7.906 -7.659 1.00 0.00 H new ATOM 0 HG SER A 71 3.493 8.112 -8.010 1.00 0.00 H new ATOM 1091 N ILE A 72 0.372 6.689 -4.461 1.00 0.00 N ATOM 1092 CA ILE A 72 -0.741 5.867 -3.925 1.00 0.00 C ATOM 1093 C ILE A 72 -1.472 6.644 -2.831 1.00 0.00 C ATOM 1094 O ILE A 72 -2.679 6.578 -2.708 1.00 0.00 O ATOM 1095 CB ILE A 72 -0.168 4.578 -3.341 1.00 0.00 C ATOM 1096 CG1 ILE A 72 0.561 3.800 -4.439 1.00 0.00 C ATOM 1097 CG2 ILE A 72 -1.303 3.727 -2.785 1.00 0.00 C ATOM 1098 CD1 ILE A 72 1.252 2.580 -3.829 1.00 0.00 C ATOM 0 H ILE A 72 1.305 6.316 -4.288 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.443 5.630 -4.725 1.00 0.00 H new ATOM 0 HB ILE A 72 0.532 4.820 -2.542 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.146 3.485 -5.206 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.296 4.441 -4.927 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.896 2.806 -2.367 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.824 4.281 -2.004 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -2.002 3.485 -3.586 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.771 2.027 -4.612 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.971 2.907 -3.078 1.00 0.00 H new ATOM 0 HD13 ILE A 72 0.507 1.936 -3.362 1.00 0.00 H new ATOM 1110 N ASP A 73 -0.746 7.370 -2.029 1.00 0.00 N ATOM 1111 CA ASP A 73 -1.386 8.143 -0.933 1.00 0.00 C ATOM 1112 C ASP A 73 -2.453 9.075 -1.511 1.00 0.00 C ATOM 1113 O ASP A 73 -3.509 9.254 -0.938 1.00 0.00 O ATOM 1114 CB ASP A 73 -0.318 8.976 -0.225 1.00 0.00 C ATOM 1115 CG ASP A 73 0.690 8.048 0.453 1.00 0.00 C ATOM 1116 OD1 ASP A 73 0.449 6.852 0.465 1.00 0.00 O ATOM 1117 OD2 ASP A 73 1.690 8.547 0.941 1.00 0.00 O ATOM 0 H ASP A 73 0.268 7.461 -2.087 1.00 0.00 H new ATOM 0 HA ASP A 73 -1.854 7.457 -0.227 1.00 0.00 H new ATOM 0 HB2 ASP A 73 0.191 9.620 -0.943 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -0.782 9.628 0.515 1.00 0.00 H new ATOM 1122 N ALA A 74 -2.184 9.678 -2.637 1.00 0.00 N ATOM 1123 CA ALA A 74 -3.185 10.604 -3.237 1.00 0.00 C ATOM 1124 C ALA A 74 -4.426 9.825 -3.673 1.00 0.00 C ATOM 1125 O ALA A 74 -5.543 10.235 -3.426 1.00 0.00 O ATOM 1126 CB ALA A 74 -2.569 11.304 -4.450 1.00 0.00 C ATOM 0 H ALA A 74 -1.318 9.570 -3.165 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.474 11.346 -2.493 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -3.301 11.982 -4.890 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.692 11.871 -4.137 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.274 10.559 -5.189 1.00 0.00 H new ATOM 1132 N PHE A 75 -4.247 8.708 -4.319 1.00 0.00 N ATOM 1133 CA PHE A 75 -5.426 7.918 -4.764 1.00 0.00 C ATOM 1134 C PHE A 75 -6.204 7.427 -3.542 1.00 0.00 C ATOM 1135 O PHE A 75 -7.416 7.494 -3.499 1.00 0.00 O ATOM 1136 CB PHE A 75 -4.959 6.719 -5.589 1.00 0.00 C ATOM 1137 CG PHE A 75 -4.437 7.195 -6.923 1.00 0.00 C ATOM 1138 CD1 PHE A 75 -5.327 7.672 -7.893 1.00 0.00 C ATOM 1139 CD2 PHE A 75 -3.064 7.155 -7.193 1.00 0.00 C ATOM 1140 CE1 PHE A 75 -4.843 8.110 -9.132 1.00 0.00 C ATOM 1141 CE2 PHE A 75 -2.581 7.593 -8.432 1.00 0.00 C ATOM 1142 CZ PHE A 75 -3.470 8.071 -9.401 1.00 0.00 C ATOM 0 H PHE A 75 -3.339 8.309 -4.557 1.00 0.00 H new ATOM 0 HA PHE A 75 -6.072 8.547 -5.376 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -4.179 6.178 -5.054 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -5.785 6.023 -5.737 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -6.386 7.702 -7.686 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -2.377 6.786 -6.445 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -5.529 8.478 -9.880 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -1.522 7.562 -8.640 1.00 0.00 H new ATOM 0 HZ PHE A 75 -3.097 8.410 -10.356 1.00 0.00 H new ATOM 1152 N VAL A 76 -5.518 6.933 -2.548 1.00 0.00 N ATOM 1153 CA VAL A 76 -6.216 6.440 -1.337 1.00 0.00 C ATOM 1154 C VAL A 76 -6.881 7.612 -0.610 1.00 0.00 C ATOM 1155 O VAL A 76 -8.017 7.528 -0.190 1.00 0.00 O ATOM 1156 CB VAL A 76 -5.198 5.773 -0.414 1.00 0.00 C ATOM 1157 CG1 VAL A 76 -5.861 5.444 0.918 1.00 0.00 C ATOM 1158 CG2 VAL A 76 -4.691 4.483 -1.063 1.00 0.00 C ATOM 0 H VAL A 76 -4.502 6.851 -2.526 1.00 0.00 H new ATOM 0 HA VAL A 76 -6.982 5.719 -1.623 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.360 6.450 -0.246 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -5.136 4.968 1.578 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.224 6.362 1.380 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.698 4.766 0.750 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.964 4.006 -0.405 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.529 3.806 -1.230 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.218 4.717 -2.017 1.00 0.00 H new ATOM 1168 N VAL A 77 -6.184 8.707 -0.461 1.00 0.00 N ATOM 1169 CA VAL A 77 -6.779 9.875 0.236 1.00 0.00 C ATOM 1170 C VAL A 77 -7.960 10.410 -0.574 1.00 0.00 C ATOM 1171 O VAL A 77 -8.981 10.784 -0.032 1.00 0.00 O ATOM 1172 CB VAL A 77 -5.718 10.964 0.375 1.00 0.00 C ATOM 1173 CG1 VAL A 77 -6.378 12.253 0.848 1.00 0.00 C ATOM 1174 CG2 VAL A 77 -4.668 10.525 1.398 1.00 0.00 C ATOM 0 H VAL A 77 -5.229 8.839 -0.793 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.130 9.575 1.223 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.238 11.131 -0.589 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.623 13.033 0.948 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.128 12.565 0.122 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.856 12.084 1.813 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.910 11.302 1.498 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.147 10.359 2.363 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -4.198 9.600 1.063 1.00 0.00 H new ATOM 1184 N GLY A 78 -7.823 10.454 -1.868 1.00 0.00 N ATOM 1185 CA GLY A 78 -8.929 10.971 -2.720 1.00 0.00 C ATOM 1186 C GLY A 78 -10.195 10.135 -2.513 1.00 0.00 C ATOM 1187 O GLY A 78 -11.296 10.639 -2.606 1.00 0.00 O ATOM 0 H GLY A 78 -6.990 10.153 -2.375 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -9.129 12.014 -2.474 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.633 10.942 -3.769 1.00 0.00 H new ATOM 1191 N ALA A 79 -10.055 8.860 -2.253 1.00 0.00 N ATOM 1192 CA ALA A 79 -11.264 8.007 -2.066 1.00 0.00 C ATOM 1193 C ALA A 79 -11.486 7.694 -0.584 1.00 0.00 C ATOM 1194 O ALA A 79 -12.571 7.864 -0.064 1.00 0.00 O ATOM 1195 CB ALA A 79 -11.081 6.698 -2.835 1.00 0.00 C ATOM 0 H ALA A 79 -9.161 8.377 -2.163 1.00 0.00 H new ATOM 0 HA ALA A 79 -12.133 8.547 -2.442 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -11.963 6.071 -2.701 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -10.947 6.914 -3.895 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.203 6.174 -2.458 1.00 0.00 H new ATOM 1201 N THR A 80 -10.479 7.229 0.100 1.00 0.00 N ATOM 1202 CA THR A 80 -10.659 6.900 1.543 1.00 0.00 C ATOM 1203 C THR A 80 -9.299 6.831 2.242 1.00 0.00 C ATOM 1204 O THR A 80 -8.347 6.292 1.715 1.00 0.00 O ATOM 1205 CB THR A 80 -11.364 5.549 1.667 1.00 0.00 C ATOM 1206 OG1 THR A 80 -12.561 5.571 0.903 1.00 0.00 O ATOM 1207 CG2 THR A 80 -11.698 5.271 3.133 1.00 0.00 C ATOM 0 H THR A 80 -9.544 7.063 -0.273 1.00 0.00 H new ATOM 0 HA THR A 80 -11.260 7.677 2.015 1.00 0.00 H new ATOM 0 HB THR A 80 -10.707 4.763 1.295 1.00 0.00 H new ATOM 0 HG1 THR A 80 -12.967 6.461 0.956 1.00 0.00 H new ATOM 0 HG21 THR A 80 -12.200 4.307 3.215 1.00 0.00 H new ATOM 0 HG22 THR A 80 -10.779 5.252 3.718 1.00 0.00 H new ATOM 0 HG23 THR A 80 -12.354 6.055 3.512 1.00 0.00 H new ATOM 1215 N THR A 81 -9.209 7.359 3.434 1.00 0.00 N ATOM 1216 CA THR A 81 -7.921 7.316 4.182 1.00 0.00 C ATOM 1217 C THR A 81 -8.156 6.649 5.543 1.00 0.00 C ATOM 1218 O THR A 81 -8.436 7.310 6.523 1.00 0.00 O ATOM 1219 CB THR A 81 -7.414 8.743 4.395 1.00 0.00 C ATOM 1220 OG1 THR A 81 -6.318 8.725 5.299 1.00 0.00 O ATOM 1221 CG2 THR A 81 -8.538 9.606 4.969 1.00 0.00 C ATOM 0 H THR A 81 -9.976 7.820 3.923 1.00 0.00 H new ATOM 0 HA THR A 81 -7.182 6.748 3.617 1.00 0.00 H new ATOM 0 HB THR A 81 -7.091 9.160 3.441 1.00 0.00 H new ATOM 0 HG1 THR A 81 -6.383 9.490 5.908 1.00 0.00 H new ATOM 0 HG21 THR A 81 -8.175 10.623 5.120 1.00 0.00 H new ATOM 0 HG22 THR A 81 -9.377 9.620 4.274 1.00 0.00 H new ATOM 0 HG23 THR A 81 -8.864 9.191 5.923 1.00 0.00 H new