USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 597 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 9 LYS NZ :NH3+ 146:sc= -1.45 (180deg=0) USER MOD Set 1.2: A 52 ASN : amide:sc= -9.1! C(o=-11!,f=-11!) USER MOD Single : A 7 THR OG1 : rot 138:sc= -0.256 USER MOD Single : A 11 MET CE :methyl -175:sc= -0.362 (180deg=-0.456) USER MOD Single : A 14 SER OG : rot 180:sc= -0.151 USER MOD Single : A 23 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.122) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.0631 X(o=-0.063,f=-0.31) USER MOD Single : A 34 THR OG1 : rot -121:sc= -1.51 USER MOD Single : A 37 HIS : no HD1:sc= -3.91! C(o=-3.9!,f=-6.4!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl -176:sc=-0.00238 (180deg=-0.0529) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot -80:sc= 0.176 USER MOD Single : A 78 SER OG : rot 80:sc= 0.364 USER MOD Single : A 79 ASN :FLIP amide:sc= -0.988 F(o=-3!,f=-0.99) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 39 N VAL A 4 4.191 14.353 4.786 1.00 0.00 N ATOM 40 CA VAL A 4 3.380 13.306 5.399 1.00 0.00 C ATOM 41 C VAL A 4 3.357 12.063 4.511 1.00 0.00 C ATOM 42 O VAL A 4 3.134 12.160 3.305 1.00 0.00 O ATOM 43 CB VAL A 4 1.933 13.773 5.652 1.00 0.00 C ATOM 44 CG1 VAL A 4 1.426 13.236 6.982 1.00 0.00 C ATOM 45 CG2 VAL A 4 1.839 15.292 5.614 1.00 0.00 C ATOM 0 HA VAL A 4 3.837 13.069 6.360 1.00 0.00 H new ATOM 0 HB VAL A 4 1.302 13.376 4.857 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.403 13.575 7.145 1.00 0.00 H new ATOM 0 HG12 VAL A 4 1.449 12.146 6.967 1.00 0.00 H new ATOM 0 HG13 VAL A 4 2.062 13.601 7.788 1.00 0.00 H new ATOM 0 HG21 VAL A 4 0.808 15.597 5.795 1.00 0.00 H new ATOM 0 HG22 VAL A 4 2.484 15.716 6.384 1.00 0.00 H new ATOM 0 HG23 VAL A 4 2.157 15.652 4.636 1.00 0.00 H new ATOM 55 N VAL A 5 3.591 10.897 5.106 1.00 0.00 N ATOM 56 CA VAL A 5 3.613 9.649 4.348 1.00 0.00 C ATOM 57 C VAL A 5 2.709 8.592 4.977 1.00 0.00 C ATOM 58 O VAL A 5 2.823 8.295 6.162 1.00 0.00 O ATOM 59 CB VAL A 5 5.045 9.081 4.243 1.00 0.00 C ATOM 60 CG1 VAL A 5 5.027 7.645 3.738 1.00 0.00 C ATOM 61 CG2 VAL A 5 5.901 9.959 3.343 1.00 0.00 C ATOM 0 H VAL A 5 3.767 10.790 6.105 1.00 0.00 H new ATOM 0 HA VAL A 5 3.243 9.887 3.351 1.00 0.00 H new ATOM 0 HB VAL A 5 5.484 9.079 5.241 1.00 0.00 H new ATOM 0 HG11 VAL A 5 6.048 7.269 3.673 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.455 7.024 4.427 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.565 7.612 2.751 1.00 0.00 H new ATOM 0 HG21 VAL A 5 6.907 9.544 3.280 1.00 0.00 H new ATOM 0 HG22 VAL A 5 5.461 9.997 2.346 1.00 0.00 H new ATOM 0 HG23 VAL A 5 5.949 10.966 3.757 1.00 0.00 H new ATOM 71 N ALA A 6 1.826 8.013 4.169 1.00 0.00 N ATOM 72 CA ALA A 6 0.955 6.937 4.632 1.00 0.00 C ATOM 73 C ALA A 6 1.528 5.594 4.199 1.00 0.00 C ATOM 74 O ALA A 6 2.443 5.552 3.378 1.00 0.00 O ATOM 75 CB ALA A 6 -0.457 7.120 4.095 1.00 0.00 C ATOM 0 H ALA A 6 1.694 8.270 3.191 1.00 0.00 H new ATOM 0 HA ALA A 6 0.904 6.965 5.720 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -1.090 6.308 4.452 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -0.858 8.072 4.443 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -0.436 7.112 3.005 1.00 0.00 H new ATOM 81 N THR A 7 1.016 4.498 4.752 1.00 0.00 N ATOM 82 CA THR A 7 1.522 3.178 4.386 1.00 0.00 C ATOM 83 C THR A 7 0.415 2.128 4.322 1.00 0.00 C ATOM 84 O THR A 7 -0.405 1.991 5.243 1.00 0.00 O ATOM 85 CB THR A 7 2.617 2.735 5.349 1.00 0.00 C ATOM 86 OG1 THR A 7 3.541 3.784 5.573 1.00 0.00 O ATOM 87 CG2 THR A 7 3.393 1.536 4.853 1.00 0.00 C ATOM 0 H THR A 7 0.265 4.495 5.442 1.00 0.00 H new ATOM 0 HA THR A 7 1.943 3.267 3.384 1.00 0.00 H new ATOM 0 HB THR A 7 2.103 2.461 6.270 1.00 0.00 H new ATOM 0 HG1 THR A 7 3.773 3.818 6.525 1.00 0.00 H new ATOM 0 HG21 THR A 7 4.158 1.270 5.583 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.714 0.694 4.716 1.00 0.00 H new ATOM 0 HG23 THR A 7 3.868 1.778 3.902 1.00 0.00 H new ATOM 95 N ILE A 8 0.446 1.361 3.235 1.00 0.00 N ATOM 96 CA ILE A 8 -0.539 0.323 2.962 1.00 0.00 C ATOM 97 C ILE A 8 0.149 -1.028 2.706 1.00 0.00 C ATOM 98 O ILE A 8 0.827 -1.199 1.696 1.00 0.00 O ATOM 99 CB ILE A 8 -1.371 0.717 1.726 1.00 0.00 C ATOM 100 CG1 ILE A 8 -1.808 2.186 1.814 1.00 0.00 C ATOM 101 CG2 ILE A 8 -2.569 -0.193 1.575 1.00 0.00 C ATOM 102 CD1 ILE A 8 -2.965 2.435 2.763 1.00 0.00 C ATOM 0 H ILE A 8 1.163 1.445 2.514 1.00 0.00 H new ATOM 0 HA ILE A 8 -1.189 0.223 3.831 1.00 0.00 H new ATOM 0 HB ILE A 8 -0.745 0.601 0.841 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.957 2.788 2.131 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -2.089 2.530 0.819 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.142 0.103 0.696 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.231 -1.223 1.458 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.198 -0.116 2.462 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -3.211 3.497 2.766 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.833 1.863 2.436 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -2.683 2.125 3.769 1.00 0.00 H new ATOM 114 N LYS A 9 0.027 -1.958 3.658 1.00 0.00 N ATOM 115 CA LYS A 9 0.686 -3.269 3.556 1.00 0.00 C ATOM 116 C LYS A 9 -0.265 -4.354 3.057 1.00 0.00 C ATOM 117 O LYS A 9 -0.998 -4.956 3.836 1.00 0.00 O ATOM 118 CB LYS A 9 1.257 -3.677 4.912 1.00 0.00 C ATOM 119 CG LYS A 9 1.381 -2.526 5.902 1.00 0.00 C ATOM 120 CD LYS A 9 2.827 -2.152 6.156 1.00 0.00 C ATOM 121 CE LYS A 9 3.452 -3.025 7.232 1.00 0.00 C ATOM 122 NZ LYS A 9 4.914 -3.212 7.021 1.00 0.00 N ATOM 0 H LYS A 9 -0.521 -1.830 4.509 1.00 0.00 H new ATOM 0 HA LYS A 9 1.491 -3.169 2.828 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.621 -4.449 5.345 1.00 0.00 H new ATOM 0 HB3 LYS A 9 2.241 -4.122 4.762 1.00 0.00 H new ATOM 0 HG2 LYS A 9 0.844 -1.658 5.519 1.00 0.00 H new ATOM 0 HG3 LYS A 9 0.907 -2.804 6.843 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.396 -2.250 5.232 1.00 0.00 H new ATOM 0 HD3 LYS A 9 2.885 -1.106 6.457 1.00 0.00 H new ATOM 0 HE2 LYS A 9 3.282 -2.573 8.209 1.00 0.00 H new ATOM 0 HE3 LYS A 9 2.960 -3.998 7.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 5.393 -3.272 7.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 5.078 -4.089 6.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 5.294 -2.405 6.486 1.00 0.00 H new ATOM 136 N VAL A 10 -0.224 -4.626 1.762 1.00 0.00 N ATOM 137 CA VAL A 10 -1.130 -5.602 1.150 1.00 0.00 C ATOM 138 C VAL A 10 -0.502 -6.998 1.067 1.00 0.00 C ATOM 139 O VAL A 10 0.673 -7.139 0.730 1.00 0.00 O ATOM 140 CB VAL A 10 -1.589 -5.135 -0.258 1.00 0.00 C ATOM 141 CG1 VAL A 10 -1.190 -3.684 -0.498 1.00 0.00 C ATOM 142 CG2 VAL A 10 -1.041 -6.028 -1.364 1.00 0.00 C ATOM 0 H VAL A 10 0.425 -4.187 1.109 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.004 -5.669 1.798 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.676 -5.212 -0.286 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.520 -3.375 -1.490 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.658 -3.049 0.254 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.106 -3.589 -0.430 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.388 -5.664 -2.331 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.049 -6.011 -1.339 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.391 -7.049 -1.214 1.00 0.00 H new ATOM 152 N MET A 11 -1.299 -8.027 1.376 1.00 0.00 N ATOM 153 CA MET A 11 -0.816 -9.407 1.321 1.00 0.00 C ATOM 154 C MET A 11 -1.933 -10.388 0.926 1.00 0.00 C ATOM 155 O MET A 11 -2.936 -10.535 1.635 1.00 0.00 O ATOM 156 CB MET A 11 -0.177 -9.804 2.669 1.00 0.00 C ATOM 157 CG MET A 11 -0.776 -11.039 3.335 1.00 0.00 C ATOM 158 SD MET A 11 0.388 -12.411 3.433 1.00 0.00 S ATOM 159 CE MET A 11 -0.701 -13.745 3.927 1.00 0.00 C ATOM 0 H MET A 11 -2.273 -7.930 1.664 1.00 0.00 H new ATOM 0 HA MET A 11 -0.053 -9.464 0.544 1.00 0.00 H new ATOM 0 HB2 MET A 11 0.888 -9.977 2.511 1.00 0.00 H new ATOM 0 HB3 MET A 11 -0.265 -8.962 3.356 1.00 0.00 H new ATOM 0 HG2 MET A 11 -1.110 -10.779 4.339 1.00 0.00 H new ATOM 0 HG3 MET A 11 -1.658 -11.355 2.778 1.00 0.00 H new ATOM 0 HE1 MET A 11 -0.113 -14.643 4.116 1.00 0.00 H new ATOM 0 HE2 MET A 11 -1.234 -13.462 4.835 1.00 0.00 H new ATOM 0 HE3 MET A 11 -1.419 -13.942 3.131 1.00 0.00 H new ATOM 169 N PRO A 12 -1.746 -11.103 -0.204 1.00 0.00 N ATOM 170 CA PRO A 12 -2.701 -12.109 -0.695 1.00 0.00 C ATOM 171 C PRO A 12 -2.735 -13.347 0.195 1.00 0.00 C ATOM 172 O PRO A 12 -1.708 -13.975 0.445 1.00 0.00 O ATOM 173 CB PRO A 12 -2.168 -12.467 -2.094 1.00 0.00 C ATOM 174 CG PRO A 12 -1.208 -11.378 -2.426 1.00 0.00 C ATOM 175 CD PRO A 12 -0.606 -10.972 -1.113 1.00 0.00 C ATOM 0 HA PRO A 12 -3.723 -11.730 -0.704 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.677 -13.440 -2.093 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.976 -12.518 -2.824 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.442 -11.726 -3.120 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.714 -10.539 -2.904 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.222 -11.620 -0.826 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.219 -9.953 -1.139 1.00 0.00 H new ATOM 183 N GLU A 13 -3.924 -13.673 0.687 1.00 0.00 N ATOM 184 CA GLU A 13 -4.116 -14.826 1.561 1.00 0.00 C ATOM 185 C GLU A 13 -3.644 -16.116 0.897 1.00 0.00 C ATOM 186 O GLU A 13 -3.227 -17.055 1.574 1.00 0.00 O ATOM 187 CB GLU A 13 -5.592 -14.954 1.948 1.00 0.00 C ATOM 188 CG GLU A 13 -5.972 -14.146 3.179 1.00 0.00 C ATOM 189 CD GLU A 13 -5.829 -14.937 4.463 1.00 0.00 C ATOM 190 OE1 GLU A 13 -4.791 -15.611 4.635 1.00 0.00 O ATOM 191 OE2 GLU A 13 -6.755 -14.883 5.300 1.00 0.00 O ATOM 0 H GLU A 13 -4.778 -13.150 0.494 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.516 -14.666 2.457 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.208 -14.632 1.108 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -5.822 -16.004 2.128 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.344 -13.256 3.233 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.002 -13.804 3.080 1.00 0.00 H new ATOM 198 N SER A 14 -3.745 -16.166 -0.426 1.00 0.00 N ATOM 199 CA SER A 14 -3.337 -17.346 -1.178 1.00 0.00 C ATOM 200 C SER A 14 -1.818 -17.409 -1.318 1.00 0.00 C ATOM 201 O SER A 14 -1.153 -16.376 -1.385 1.00 0.00 O ATOM 202 CB SER A 14 -3.987 -17.338 -2.563 1.00 0.00 C ATOM 203 OG SER A 14 -5.356 -16.977 -2.483 1.00 0.00 O ATOM 0 H SER A 14 -4.106 -15.404 -1.000 1.00 0.00 H new ATOM 0 HA SER A 14 -3.668 -18.228 -0.630 1.00 0.00 H new ATOM 0 HB2 SER A 14 -3.460 -16.637 -3.211 1.00 0.00 H new ATOM 0 HB3 SER A 14 -3.894 -18.324 -3.017 1.00 0.00 H new ATOM 0 HG SER A 14 -5.748 -16.978 -3.381 1.00 0.00 H new ATOM 209 N PRO A 15 -1.245 -18.627 -1.372 1.00 0.00 N ATOM 210 CA PRO A 15 0.202 -18.809 -1.526 1.00 0.00 C ATOM 211 C PRO A 15 0.694 -18.308 -2.878 1.00 0.00 C ATOM 212 O PRO A 15 1.895 -18.291 -3.150 1.00 0.00 O ATOM 213 CB PRO A 15 0.390 -20.325 -1.417 1.00 0.00 C ATOM 214 CG PRO A 15 -0.931 -20.900 -1.794 1.00 0.00 C ATOM 215 CD PRO A 15 -1.960 -19.916 -1.311 1.00 0.00 C ATOM 0 HA PRO A 15 0.768 -18.248 -0.782 1.00 0.00 H new ATOM 0 HB2 PRO A 15 1.178 -20.675 -2.083 1.00 0.00 H new ATOM 0 HB3 PRO A 15 0.674 -20.617 -0.406 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -1.002 -21.042 -2.872 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.078 -21.877 -1.333 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.846 -19.916 -1.945 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.293 -20.145 -0.299 1.00 0.00 H new ATOM 223 N ASP A 16 -0.251 -17.928 -3.731 1.00 0.00 N ATOM 224 CA ASP A 16 0.069 -17.414 -5.057 1.00 0.00 C ATOM 225 C ASP A 16 0.160 -15.894 -5.035 1.00 0.00 C ATOM 226 O ASP A 16 -0.252 -15.220 -5.980 1.00 0.00 O ATOM 227 CB ASP A 16 -0.987 -17.862 -6.071 1.00 0.00 C ATOM 228 CG ASP A 16 -2.401 -17.604 -5.588 1.00 0.00 C ATOM 229 OD1 ASP A 16 -2.759 -16.423 -5.403 1.00 0.00 O ATOM 230 OD2 ASP A 16 -3.151 -18.584 -5.396 1.00 0.00 O ATOM 0 H ASP A 16 -1.249 -17.967 -3.526 1.00 0.00 H new ATOM 0 HA ASP A 16 1.037 -17.816 -5.355 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -0.827 -17.338 -7.013 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -0.864 -18.926 -6.273 1.00 0.00 H new ATOM 235 N VAL A 17 0.688 -15.360 -3.938 1.00 0.00 N ATOM 236 CA VAL A 17 0.826 -13.919 -3.781 1.00 0.00 C ATOM 237 C VAL A 17 1.863 -13.377 -4.772 1.00 0.00 C ATOM 238 O VAL A 17 3.067 -13.359 -4.507 1.00 0.00 O ATOM 239 CB VAL A 17 1.159 -13.519 -2.312 1.00 0.00 C ATOM 240 CG1 VAL A 17 1.646 -14.714 -1.520 1.00 0.00 C ATOM 241 CG2 VAL A 17 2.149 -12.361 -2.219 1.00 0.00 C ATOM 0 H VAL A 17 1.027 -15.905 -3.145 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.136 -13.460 -4.009 1.00 0.00 H new ATOM 0 HB VAL A 17 0.227 -13.165 -1.870 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.871 -14.406 -0.499 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.872 -15.481 -1.506 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.546 -15.116 -1.985 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.341 -12.129 -1.171 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.083 -12.641 -2.705 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.731 -11.484 -2.714 1.00 0.00 H new ATOM 251 N ASP A 18 1.380 -13.036 -5.960 1.00 0.00 N ATOM 252 CA ASP A 18 2.230 -12.485 -7.011 1.00 0.00 C ATOM 253 C ASP A 18 2.713 -11.101 -6.617 1.00 0.00 C ATOM 254 O ASP A 18 1.953 -10.137 -6.640 1.00 0.00 O ATOM 255 CB ASP A 18 1.472 -12.425 -8.335 1.00 0.00 C ATOM 256 CG ASP A 18 0.976 -13.787 -8.781 1.00 0.00 C ATOM 257 OD1 ASP A 18 1.814 -14.619 -9.188 1.00 0.00 O ATOM 258 OD2 ASP A 18 -0.250 -14.023 -8.721 1.00 0.00 O ATOM 0 H ASP A 18 0.399 -13.132 -6.222 1.00 0.00 H new ATOM 0 HA ASP A 18 3.094 -13.137 -7.139 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.624 -11.748 -8.234 1.00 0.00 H new ATOM 0 HB3 ASP A 18 2.123 -12.009 -9.104 1.00 0.00 H new ATOM 263 N LEU A 19 3.973 -11.023 -6.215 1.00 0.00 N ATOM 264 CA LEU A 19 4.560 -9.771 -5.770 1.00 0.00 C ATOM 265 C LEU A 19 4.552 -8.722 -6.873 1.00 0.00 C ATOM 266 O LEU A 19 4.070 -7.607 -6.674 1.00 0.00 O ATOM 267 CB LEU A 19 5.995 -10.008 -5.297 1.00 0.00 C ATOM 268 CG LEU A 19 6.409 -9.220 -4.055 1.00 0.00 C ATOM 269 CD1 LEU A 19 7.371 -10.033 -3.203 1.00 0.00 C ATOM 270 CD2 LEU A 19 7.034 -7.891 -4.451 1.00 0.00 C ATOM 0 H LEU A 19 4.611 -11.818 -6.189 1.00 0.00 H new ATOM 0 HA LEU A 19 3.955 -9.396 -4.944 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.122 -11.071 -5.092 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.675 -9.756 -6.111 1.00 0.00 H new ATOM 0 HG LEU A 19 5.517 -9.016 -3.463 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.655 -9.456 -2.323 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.887 -10.958 -2.890 1.00 0.00 H new ATOM 0 HD13 LEU A 19 8.262 -10.269 -3.785 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.323 -7.343 -3.554 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.916 -8.072 -5.065 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.312 -7.304 -5.018 1.00 0.00 H new ATOM 282 N GLU A 20 5.075 -9.084 -8.038 1.00 0.00 N ATOM 283 CA GLU A 20 5.163 -8.143 -9.150 1.00 0.00 C ATOM 284 C GLU A 20 3.793 -7.852 -9.735 1.00 0.00 C ATOM 285 O GLU A 20 3.526 -6.735 -10.180 1.00 0.00 O ATOM 286 CB GLU A 20 6.093 -8.669 -10.231 1.00 0.00 C ATOM 287 CG GLU A 20 5.551 -9.885 -10.948 1.00 0.00 C ATOM 288 CD GLU A 20 6.015 -11.189 -10.330 1.00 0.00 C ATOM 289 OE1 GLU A 20 7.190 -11.558 -10.536 1.00 0.00 O ATOM 290 OE2 GLU A 20 5.205 -11.840 -9.637 1.00 0.00 O ATOM 0 H GLU A 20 5.442 -10.014 -8.238 1.00 0.00 H new ATOM 0 HA GLU A 20 5.572 -7.211 -8.760 1.00 0.00 H new ATOM 0 HB2 GLU A 20 6.276 -7.879 -10.959 1.00 0.00 H new ATOM 0 HB3 GLU A 20 7.055 -8.919 -9.783 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.462 -9.851 -10.938 1.00 0.00 H new ATOM 0 HG3 GLU A 20 5.861 -9.853 -11.992 1.00 0.00 H new ATOM 297 N ALA A 21 2.920 -8.850 -9.739 1.00 0.00 N ATOM 298 CA ALA A 21 1.567 -8.639 -10.226 1.00 0.00 C ATOM 299 C ALA A 21 0.832 -7.723 -9.265 1.00 0.00 C ATOM 300 O ALA A 21 0.040 -6.873 -9.673 1.00 0.00 O ATOM 301 CB ALA A 21 0.830 -9.957 -10.395 1.00 0.00 C ATOM 0 H ALA A 21 3.120 -9.797 -9.417 1.00 0.00 H new ATOM 0 HA ALA A 21 1.611 -8.170 -11.209 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.179 -9.765 -10.760 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.363 -10.583 -11.111 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.777 -10.470 -9.435 1.00 0.00 H new ATOM 307 N LEU A 22 1.134 -7.889 -7.984 1.00 0.00 N ATOM 308 CA LEU A 22 0.572 -7.038 -6.949 1.00 0.00 C ATOM 309 C LEU A 22 1.092 -5.623 -7.123 1.00 0.00 C ATOM 310 O LEU A 22 0.393 -4.650 -6.854 1.00 0.00 O ATOM 311 CB LEU A 22 0.941 -7.568 -5.556 1.00 0.00 C ATOM 312 CG LEU A 22 -0.080 -7.302 -4.436 1.00 0.00 C ATOM 313 CD1 LEU A 22 -1.469 -7.016 -4.997 1.00 0.00 C ATOM 314 CD2 LEU A 22 -0.132 -8.480 -3.479 1.00 0.00 C ATOM 0 H LEU A 22 1.768 -8.609 -7.638 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.514 -7.040 -7.039 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.097 -8.644 -5.629 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.894 -7.127 -5.263 1.00 0.00 H new ATOM 0 HG LEU A 22 0.248 -6.415 -3.894 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.162 -6.833 -4.176 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.428 -6.137 -5.640 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.811 -7.873 -5.577 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.858 -8.278 -2.692 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.427 -9.378 -4.023 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.852 -8.631 -3.035 1.00 0.00 H new ATOM 326 N LYS A 23 2.333 -5.530 -7.590 1.00 0.00 N ATOM 327 CA LYS A 23 2.972 -4.249 -7.842 1.00 0.00 C ATOM 328 C LYS A 23 2.126 -3.421 -8.794 1.00 0.00 C ATOM 329 O LYS A 23 1.874 -2.239 -8.556 1.00 0.00 O ATOM 330 CB LYS A 23 4.363 -4.468 -8.449 1.00 0.00 C ATOM 331 CG LYS A 23 5.515 -4.162 -7.504 1.00 0.00 C ATOM 332 CD LYS A 23 6.092 -5.425 -6.892 1.00 0.00 C ATOM 333 CE LYS A 23 7.539 -5.224 -6.473 1.00 0.00 C ATOM 334 NZ LYS A 23 7.699 -4.061 -5.558 1.00 0.00 N ATOM 0 H LYS A 23 2.919 -6.337 -7.803 1.00 0.00 H new ATOM 0 HA LYS A 23 3.072 -3.716 -6.897 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.444 -5.504 -8.778 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.461 -3.843 -9.337 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.297 -3.630 -8.045 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.169 -3.499 -6.711 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.498 -5.717 -6.026 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.029 -6.242 -7.611 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.902 -6.126 -5.980 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.156 -5.075 -7.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.661 -4.059 -5.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.540 -3.179 -6.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.008 -4.131 -4.784 1.00 0.00 H new ATOM 348 N LYS A 24 1.676 -4.058 -9.869 1.00 0.00 N ATOM 349 CA LYS A 24 0.848 -3.387 -10.858 1.00 0.00 C ATOM 350 C LYS A 24 -0.496 -2.990 -10.259 1.00 0.00 C ATOM 351 O LYS A 24 -0.992 -1.889 -10.501 1.00 0.00 O ATOM 352 CB LYS A 24 0.627 -4.292 -12.074 1.00 0.00 C ATOM 353 CG LYS A 24 1.847 -5.119 -12.450 1.00 0.00 C ATOM 354 CD LYS A 24 1.929 -5.345 -13.951 1.00 0.00 C ATOM 355 CE LYS A 24 1.208 -6.618 -14.364 1.00 0.00 C ATOM 356 NZ LYS A 24 0.035 -6.335 -15.235 1.00 0.00 N ATOM 0 H LYS A 24 1.872 -5.037 -10.076 1.00 0.00 H new ATOM 0 HA LYS A 24 1.369 -2.484 -11.177 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.207 -4.963 -11.870 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.339 -3.677 -12.926 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.750 -4.613 -12.108 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.807 -6.081 -11.938 1.00 0.00 H new ATOM 0 HD2 LYS A 24 1.493 -4.493 -14.472 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.974 -5.403 -14.255 1.00 0.00 H new ATOM 0 HE2 LYS A 24 1.902 -7.273 -14.891 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.878 -7.153 -13.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.429 -7.229 -15.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.639 -5.731 -14.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.352 -5.847 -16.097 1.00 0.00 H new ATOM 370 N GLU A 25 -1.091 -3.900 -9.493 1.00 0.00 N ATOM 371 CA GLU A 25 -2.382 -3.637 -8.869 1.00 0.00 C ATOM 372 C GLU A 25 -2.261 -2.539 -7.825 1.00 0.00 C ATOM 373 O GLU A 25 -3.209 -1.800 -7.563 1.00 0.00 O ATOM 374 CB GLU A 25 -2.929 -4.911 -8.222 1.00 0.00 C ATOM 375 CG GLU A 25 -3.322 -5.983 -9.223 1.00 0.00 C ATOM 376 CD GLU A 25 -4.484 -6.830 -8.744 1.00 0.00 C ATOM 377 OE1 GLU A 25 -5.631 -6.337 -8.775 1.00 0.00 O ATOM 378 OE2 GLU A 25 -4.246 -7.986 -8.334 1.00 0.00 O ATOM 0 H GLU A 25 -0.702 -4.821 -9.291 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.073 -3.306 -9.644 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.177 -5.316 -7.545 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -3.798 -4.656 -7.616 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.587 -5.512 -10.169 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -2.464 -6.626 -9.416 1.00 0.00 H new ATOM 385 N ILE A 26 -1.094 -2.463 -7.210 1.00 0.00 N ATOM 386 CA ILE A 26 -0.832 -1.472 -6.183 1.00 0.00 C ATOM 387 C ILE A 26 -0.950 -0.063 -6.748 1.00 0.00 C ATOM 388 O ILE A 26 -1.511 0.825 -6.109 1.00 0.00 O ATOM 389 CB ILE A 26 0.565 -1.674 -5.558 1.00 0.00 C ATOM 390 CG1 ILE A 26 0.468 -2.615 -4.356 1.00 0.00 C ATOM 391 CG2 ILE A 26 1.178 -0.345 -5.144 1.00 0.00 C ATOM 392 CD1 ILE A 26 1.630 -3.577 -4.245 1.00 0.00 C ATOM 0 H ILE A 26 -0.307 -3.082 -7.407 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.581 -1.601 -5.402 1.00 0.00 H new ATOM 0 HB ILE A 26 1.215 -2.122 -6.309 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.410 -2.021 -3.444 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.459 -3.184 -4.425 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.161 -0.518 -4.707 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.278 0.298 -6.019 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.535 0.139 -4.409 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.494 -4.213 -3.370 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.676 -4.197 -5.140 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.559 -3.016 -4.144 1.00 0.00 H new ATOM 404 N GLN A 27 -0.383 0.141 -7.930 1.00 0.00 N ATOM 405 CA GLN A 27 -0.416 1.447 -8.572 1.00 0.00 C ATOM 406 C GLN A 27 -1.846 1.874 -8.870 1.00 0.00 C ATOM 407 O GLN A 27 -2.189 3.051 -8.767 1.00 0.00 O ATOM 408 CB GLN A 27 0.403 1.422 -9.864 1.00 0.00 C ATOM 409 CG GLN A 27 1.856 1.028 -9.657 1.00 0.00 C ATOM 410 CD GLN A 27 2.823 2.102 -10.113 1.00 0.00 C ATOM 411 OE1 GLN A 27 2.635 2.720 -11.161 1.00 0.00 O ATOM 412 NE2 GLN A 27 3.869 2.330 -9.326 1.00 0.00 N ATOM 0 H GLN A 27 0.104 -0.580 -8.462 1.00 0.00 H new ATOM 0 HA GLN A 27 0.021 2.172 -7.886 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -0.058 0.724 -10.563 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.365 2.408 -10.327 1.00 0.00 H new ATOM 0 HG2 GLN A 27 2.024 0.818 -8.601 1.00 0.00 H new ATOM 0 HG3 GLN A 27 2.060 0.106 -10.202 1.00 0.00 H new ATOM 0 HE21 GLN A 27 3.986 1.795 -8.466 1.00 0.00 H new ATOM 0 HE22 GLN A 27 4.555 3.041 -9.582 1.00 0.00 H new ATOM 421 N GLU A 28 -2.669 0.915 -9.286 1.00 0.00 N ATOM 422 CA GLU A 28 -4.059 1.198 -9.625 1.00 0.00 C ATOM 423 C GLU A 28 -4.921 1.344 -8.377 1.00 0.00 C ATOM 424 O GLU A 28 -6.004 1.930 -8.424 1.00 0.00 O ATOM 425 CB GLU A 28 -4.619 0.101 -10.531 1.00 0.00 C ATOM 426 CG GLU A 28 -4.956 -1.189 -9.804 1.00 0.00 C ATOM 427 CD GLU A 28 -5.636 -2.205 -10.700 1.00 0.00 C ATOM 428 OE1 GLU A 28 -6.817 -1.993 -11.047 1.00 0.00 O ATOM 429 OE2 GLU A 28 -4.988 -3.212 -11.054 1.00 0.00 O ATOM 0 H GLU A 28 -2.398 -0.062 -9.396 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.084 2.148 -10.159 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.517 0.474 -11.023 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.893 -0.115 -11.315 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.042 -1.622 -9.399 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.605 -0.965 -8.957 1.00 0.00 H new ATOM 436 N ARG A 29 -4.449 0.790 -7.267 1.00 0.00 N ATOM 437 CA ARG A 29 -5.189 0.844 -6.014 1.00 0.00 C ATOM 438 C ARG A 29 -4.820 2.088 -5.208 1.00 0.00 C ATOM 439 O ARG A 29 -5.459 2.396 -4.201 1.00 0.00 O ATOM 440 CB ARG A 29 -4.928 -0.424 -5.197 1.00 0.00 C ATOM 441 CG ARG A 29 -3.658 -0.369 -4.365 1.00 0.00 C ATOM 442 CD ARG A 29 -3.698 -1.375 -3.228 1.00 0.00 C ATOM 443 NE ARG A 29 -2.454 -1.390 -2.467 1.00 0.00 N ATOM 444 CZ ARG A 29 -2.015 -0.363 -1.743 1.00 0.00 C ATOM 445 NH1 ARG A 29 -2.722 0.759 -1.676 1.00 0.00 N ATOM 446 NH2 ARG A 29 -0.871 -0.461 -1.083 1.00 0.00 N ATOM 0 H ARG A 29 -3.557 0.298 -7.210 1.00 0.00 H new ATOM 0 HA ARG A 29 -6.252 0.903 -6.246 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.777 -0.600 -4.536 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.870 -1.276 -5.875 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.796 -0.570 -5.001 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.529 0.635 -3.961 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.527 -1.137 -2.562 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -3.889 -2.370 -3.631 1.00 0.00 H new ATOM 0 HE ARG A 29 -1.887 -2.237 -2.491 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -3.605 0.836 -2.180 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -2.382 1.544 -1.120 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -0.327 -1.323 -1.130 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -0.534 0.325 -0.528 1.00 0.00 H new ATOM 460 N ILE A 30 -3.781 2.793 -5.651 1.00 0.00 N ATOM 461 CA ILE A 30 -3.331 4.003 -4.968 1.00 0.00 C ATOM 462 C ILE A 30 -4.438 5.057 -4.919 1.00 0.00 C ATOM 463 O ILE A 30 -5.127 5.285 -5.913 1.00 0.00 O ATOM 464 CB ILE A 30 -2.092 4.614 -5.657 1.00 0.00 C ATOM 465 CG1 ILE A 30 -0.899 3.661 -5.552 1.00 0.00 C ATOM 466 CG2 ILE A 30 -1.750 5.974 -5.055 1.00 0.00 C ATOM 467 CD1 ILE A 30 -0.390 3.462 -4.138 1.00 0.00 C ATOM 0 H ILE A 30 -3.236 2.548 -6.478 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.067 3.708 -3.953 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.325 4.762 -6.712 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.183 2.693 -5.964 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.086 4.044 -6.169 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.874 6.384 -5.557 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.593 6.652 -5.185 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.538 5.859 -3.992 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.455 2.774 -4.149 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.072 4.420 -3.727 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.187 3.048 -3.519 1.00 0.00 H new ATOM 479 N PRO A 31 -4.599 5.743 -3.769 1.00 0.00 N ATOM 480 CA PRO A 31 -5.604 6.799 -3.606 1.00 0.00 C ATOM 481 C PRO A 31 -5.542 7.835 -4.726 1.00 0.00 C ATOM 482 O PRO A 31 -4.524 8.502 -4.914 1.00 0.00 O ATOM 483 CB PRO A 31 -5.240 7.447 -2.260 1.00 0.00 C ATOM 484 CG PRO A 31 -3.898 6.903 -1.897 1.00 0.00 C ATOM 485 CD PRO A 31 -3.822 5.552 -2.537 1.00 0.00 C ATOM 0 HA PRO A 31 -6.617 6.399 -3.638 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -5.212 8.533 -2.344 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.980 7.205 -1.497 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.101 7.553 -2.259 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.784 6.831 -0.815 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.793 5.259 -2.747 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.251 4.777 -1.902 1.00 0.00 H new ATOM 493 N GLU A 32 -6.639 7.956 -5.471 1.00 0.00 N ATOM 494 CA GLU A 32 -6.727 8.907 -6.580 1.00 0.00 C ATOM 495 C GLU A 32 -6.505 10.349 -6.121 1.00 0.00 C ATOM 496 O GLU A 32 -6.525 11.273 -6.935 1.00 0.00 O ATOM 497 CB GLU A 32 -8.091 8.789 -7.264 1.00 0.00 C ATOM 498 CG GLU A 32 -8.031 8.120 -8.628 1.00 0.00 C ATOM 499 CD GLU A 32 -9.403 7.923 -9.241 1.00 0.00 C ATOM 500 OE1 GLU A 32 -10.107 8.932 -9.460 1.00 0.00 O ATOM 501 OE2 GLU A 32 -9.775 6.760 -9.504 1.00 0.00 O ATOM 0 H GLU A 32 -7.485 7.404 -5.326 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.935 8.658 -7.286 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.764 8.223 -6.620 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.520 9.785 -7.375 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.421 8.725 -9.299 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.537 7.153 -8.533 1.00 0.00 H new ATOM 508 N GLY A 33 -6.295 10.542 -4.822 1.00 0.00 N ATOM 509 CA GLY A 33 -6.101 11.881 -4.293 1.00 0.00 C ATOM 510 C GLY A 33 -4.678 12.379 -4.454 1.00 0.00 C ATOM 511 O GLY A 33 -4.459 13.535 -4.817 1.00 0.00 O ATOM 0 H GLY A 33 -6.256 9.796 -4.127 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.780 12.568 -4.798 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -6.366 11.890 -3.236 1.00 0.00 H new ATOM 515 N THR A 34 -3.708 11.512 -4.181 1.00 0.00 N ATOM 516 CA THR A 34 -2.302 11.882 -4.296 1.00 0.00 C ATOM 517 C THR A 34 -1.528 10.843 -5.107 1.00 0.00 C ATOM 518 O THR A 34 -2.055 10.271 -6.061 1.00 0.00 O ATOM 519 CB THR A 34 -1.683 12.038 -2.905 1.00 0.00 C ATOM 520 OG1 THR A 34 -2.683 12.314 -1.940 1.00 0.00 O ATOM 521 CG2 THR A 34 -0.651 13.143 -2.829 1.00 0.00 C ATOM 0 H THR A 34 -3.869 10.551 -3.879 1.00 0.00 H new ATOM 0 HA THR A 34 -2.241 12.836 -4.820 1.00 0.00 H new ATOM 0 HB THR A 34 -1.188 11.089 -2.700 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.489 13.170 -1.504 1.00 0.00 H new ATOM 0 HG21 THR A 34 -0.252 13.199 -1.816 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.159 12.933 -3.527 1.00 0.00 H new ATOM 0 HG23 THR A 34 -1.116 14.094 -3.089 1.00 0.00 H new ATOM 529 N GLU A 35 -0.277 10.602 -4.721 1.00 0.00 N ATOM 530 CA GLU A 35 0.568 9.637 -5.413 1.00 0.00 C ATOM 531 C GLU A 35 1.272 8.724 -4.419 1.00 0.00 C ATOM 532 O GLU A 35 1.289 8.992 -3.217 1.00 0.00 O ATOM 533 CB GLU A 35 1.602 10.361 -6.276 1.00 0.00 C ATOM 534 CG GLU A 35 1.017 10.994 -7.527 1.00 0.00 C ATOM 535 CD GLU A 35 1.858 12.143 -8.048 1.00 0.00 C ATOM 536 OE1 GLU A 35 3.076 11.946 -8.241 1.00 0.00 O ATOM 537 OE2 GLU A 35 1.299 13.240 -8.261 1.00 0.00 O ATOM 0 H GLU A 35 0.173 11.064 -3.931 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.068 9.027 -6.054 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.083 11.135 -5.678 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.379 9.654 -6.566 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.924 10.235 -8.304 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.011 11.354 -7.311 1.00 0.00 H new ATOM 544 N LEU A 36 1.854 7.645 -4.929 1.00 0.00 N ATOM 545 CA LEU A 36 2.550 6.681 -4.085 1.00 0.00 C ATOM 546 C LEU A 36 3.913 7.214 -3.644 1.00 0.00 C ATOM 547 O LEU A 36 4.259 8.365 -3.914 1.00 0.00 O ATOM 548 CB LEU A 36 2.714 5.344 -4.818 1.00 0.00 C ATOM 549 CG LEU A 36 3.845 5.282 -5.852 1.00 0.00 C ATOM 550 CD1 LEU A 36 3.935 3.887 -6.451 1.00 0.00 C ATOM 551 CD2 LEU A 36 3.639 6.318 -6.948 1.00 0.00 C ATOM 0 H LEU A 36 1.858 7.416 -5.923 1.00 0.00 H new ATOM 0 HA LEU A 36 1.945 6.521 -3.193 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.883 4.563 -4.076 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.775 5.109 -5.320 1.00 0.00 H new ATOM 0 HG LEU A 36 4.783 5.508 -5.345 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.742 3.857 -7.183 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.135 3.164 -5.660 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.992 3.639 -6.939 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.455 6.253 -7.668 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.692 6.129 -7.454 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.622 7.315 -6.508 1.00 0.00 H new ATOM 563 N HIS A 37 4.663 6.375 -2.937 1.00 0.00 N ATOM 564 CA HIS A 37 5.978 6.750 -2.428 1.00 0.00 C ATOM 565 C HIS A 37 7.018 5.693 -2.761 1.00 0.00 C ATOM 566 O HIS A 37 7.828 5.856 -3.674 1.00 0.00 O ATOM 567 CB HIS A 37 5.912 6.927 -0.912 1.00 0.00 C ATOM 568 CG HIS A 37 7.220 7.299 -0.285 1.00 0.00 C ATOM 569 ND1 HIS A 37 7.726 8.574 -0.380 1.00 0.00 N ATOM 570 CD2 HIS A 37 8.082 6.533 0.427 1.00 0.00 C ATOM 571 CE1 HIS A 37 8.876 8.557 0.271 1.00 0.00 C ATOM 572 NE2 HIS A 37 9.132 7.341 0.777 1.00 0.00 N ATOM 0 H HIS A 37 4.380 5.424 -2.702 1.00 0.00 H new ATOM 0 HA HIS A 37 6.269 7.687 -2.903 1.00 0.00 H new ATOM 0 HB2 HIS A 37 5.177 7.697 -0.678 1.00 0.00 H new ATOM 0 HB3 HIS A 37 5.556 5.999 -0.463 1.00 0.00 H new ATOM 0 HD2 HIS A 37 7.964 5.488 0.671 1.00 0.00 H new ATOM 0 HE1 HIS A 37 9.526 9.412 0.382 1.00 0.00 H new ATOM 0 HE2 HIS A 37 9.952 7.070 1.319 1.00 0.00 H new ATOM 580 N LYS A 38 6.972 4.604 -2.009 1.00 0.00 N ATOM 581 CA LYS A 38 7.910 3.506 -2.171 1.00 0.00 C ATOM 582 C LYS A 38 7.384 2.267 -1.453 1.00 0.00 C ATOM 583 O LYS A 38 6.898 2.353 -0.324 1.00 0.00 O ATOM 584 CB LYS A 38 9.288 3.919 -1.632 1.00 0.00 C ATOM 585 CG LYS A 38 9.932 2.908 -0.695 1.00 0.00 C ATOM 586 CD LYS A 38 10.635 1.803 -1.466 1.00 0.00 C ATOM 587 CE LYS A 38 11.638 1.065 -0.594 1.00 0.00 C ATOM 588 NZ LYS A 38 12.346 -0.007 -1.347 1.00 0.00 N ATOM 0 H LYS A 38 6.284 4.457 -1.270 1.00 0.00 H new ATOM 0 HA LYS A 38 8.016 3.265 -3.229 1.00 0.00 H new ATOM 0 HB2 LYS A 38 9.957 4.090 -2.476 1.00 0.00 H new ATOM 0 HB3 LYS A 38 9.188 4.869 -1.107 1.00 0.00 H new ATOM 0 HG2 LYS A 38 10.649 3.415 -0.048 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.170 2.474 -0.048 1.00 0.00 H new ATOM 0 HD2 LYS A 38 9.896 1.098 -1.849 1.00 0.00 H new ATOM 0 HD3 LYS A 38 11.146 2.229 -2.329 1.00 0.00 H new ATOM 0 HE2 LYS A 38 12.367 1.773 -0.200 1.00 0.00 H new ATOM 0 HE3 LYS A 38 11.123 0.628 0.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 13.021 -0.486 -0.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 11.654 -0.697 -1.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 12.859 0.413 -2.149 1.00 0.00 H new ATOM 602 N ILE A 39 7.435 1.125 -2.131 1.00 0.00 N ATOM 603 CA ILE A 39 6.896 -0.109 -1.580 1.00 0.00 C ATOM 604 C ILE A 39 7.951 -0.929 -0.843 1.00 0.00 C ATOM 605 O ILE A 39 9.150 -0.784 -1.082 1.00 0.00 O ATOM 606 CB ILE A 39 6.258 -0.974 -2.677 1.00 0.00 C ATOM 607 CG1 ILE A 39 5.511 -0.085 -3.681 1.00 0.00 C ATOM 608 CG2 ILE A 39 5.322 -1.993 -2.045 1.00 0.00 C ATOM 609 CD1 ILE A 39 4.500 -0.822 -4.534 1.00 0.00 C ATOM 0 H ILE A 39 7.844 1.030 -3.061 1.00 0.00 H new ATOM 0 HA ILE A 39 6.133 0.189 -0.860 1.00 0.00 H new ATOM 0 HB ILE A 39 7.038 -1.511 -3.217 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.999 0.708 -3.136 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.239 0.396 -4.335 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.871 -2.606 -2.825 1.00 0.00 H new ATOM 0 HG22 ILE A 39 5.885 -2.631 -1.363 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.539 -1.474 -1.493 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.018 -0.120 -5.215 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.006 -1.597 -5.110 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.747 -1.280 -3.892 1.00 0.00 H new ATOM 621 N ASP A 40 7.484 -1.801 0.048 1.00 0.00 N ATOM 622 CA ASP A 40 8.359 -2.636 0.853 1.00 0.00 C ATOM 623 C ASP A 40 8.032 -4.115 0.675 1.00 0.00 C ATOM 624 O ASP A 40 6.898 -4.534 0.894 1.00 0.00 O ATOM 625 CB ASP A 40 8.188 -2.269 2.321 1.00 0.00 C ATOM 626 CG ASP A 40 8.640 -0.854 2.628 1.00 0.00 C ATOM 627 OD1 ASP A 40 8.230 0.072 1.896 1.00 0.00 O ATOM 628 OD2 ASP A 40 9.404 -0.673 3.598 1.00 0.00 O ATOM 0 H ASP A 40 6.490 -1.945 0.229 1.00 0.00 H new ATOM 0 HA ASP A 40 9.386 -2.466 0.529 1.00 0.00 H new ATOM 0 HB2 ASP A 40 7.140 -2.379 2.599 1.00 0.00 H new ATOM 0 HB3 ASP A 40 8.756 -2.968 2.935 1.00 0.00 H new ATOM 633 N GLU A 41 9.032 -4.907 0.314 1.00 0.00 N ATOM 634 CA GLU A 41 8.837 -6.342 0.154 1.00 0.00 C ATOM 635 C GLU A 41 9.010 -7.058 1.492 1.00 0.00 C ATOM 636 O GLU A 41 10.034 -7.696 1.741 1.00 0.00 O ATOM 637 CB GLU A 41 9.819 -6.909 -0.876 1.00 0.00 C ATOM 638 CG GLU A 41 10.295 -5.888 -1.897 1.00 0.00 C ATOM 639 CD GLU A 41 11.581 -6.308 -2.584 1.00 0.00 C ATOM 640 OE1 GLU A 41 11.631 -7.440 -3.108 1.00 0.00 O ATOM 641 OE2 GLU A 41 12.537 -5.503 -2.599 1.00 0.00 O ATOM 0 H GLU A 41 9.981 -4.583 0.127 1.00 0.00 H new ATOM 0 HA GLU A 41 7.821 -6.509 -0.204 1.00 0.00 H new ATOM 0 HB2 GLU A 41 10.684 -7.317 -0.353 1.00 0.00 H new ATOM 0 HB3 GLU A 41 9.343 -7.738 -1.400 1.00 0.00 H new ATOM 0 HG2 GLU A 41 9.518 -5.740 -2.647 1.00 0.00 H new ATOM 0 HG3 GLU A 41 10.448 -4.929 -1.402 1.00 0.00 H new ATOM 648 N GLU A 42 8.017 -6.912 2.366 1.00 0.00 N ATOM 649 CA GLU A 42 8.051 -7.543 3.681 1.00 0.00 C ATOM 650 C GLU A 42 7.229 -8.826 3.673 1.00 0.00 C ATOM 651 O GLU A 42 6.095 -8.831 3.203 1.00 0.00 O ATOM 652 CB GLU A 42 7.517 -6.584 4.746 1.00 0.00 C ATOM 653 CG GLU A 42 8.563 -6.175 5.769 1.00 0.00 C ATOM 654 CD GLU A 42 8.007 -6.111 7.178 1.00 0.00 C ATOM 655 OE1 GLU A 42 7.326 -5.115 7.502 1.00 0.00 O ATOM 656 OE2 GLU A 42 8.252 -7.056 7.956 1.00 0.00 O ATOM 0 H GLU A 42 7.178 -6.361 2.186 1.00 0.00 H new ATOM 0 HA GLU A 42 9.086 -7.790 3.920 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.128 -5.690 4.258 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.680 -7.055 5.262 1.00 0.00 H new ATOM 0 HG2 GLU A 42 9.390 -6.884 5.741 1.00 0.00 H new ATOM 0 HG3 GLU A 42 8.969 -5.200 5.498 1.00 0.00 H new ATOM 663 N PRO A 43 7.790 -9.937 4.178 1.00 0.00 N ATOM 664 CA PRO A 43 7.109 -11.223 4.184 1.00 0.00 C ATOM 665 C PRO A 43 6.239 -11.427 5.413 1.00 0.00 C ATOM 666 O PRO A 43 6.431 -10.780 6.443 1.00 0.00 O ATOM 667 CB PRO A 43 8.261 -12.223 4.157 1.00 0.00 C ATOM 668 CG PRO A 43 9.423 -11.519 4.789 1.00 0.00 C ATOM 669 CD PRO A 43 9.137 -10.034 4.756 1.00 0.00 C ATOM 0 HA PRO A 43 6.417 -11.323 3.347 1.00 0.00 H new ATOM 0 HB2 PRO A 43 8.006 -13.129 4.707 1.00 0.00 H new ATOM 0 HB3 PRO A 43 8.494 -12.525 3.136 1.00 0.00 H new ATOM 0 HG2 PRO A 43 9.563 -11.858 5.815 1.00 0.00 H new ATOM 0 HG3 PRO A 43 10.344 -11.743 4.251 1.00 0.00 H new ATOM 0 HD2 PRO A 43 9.174 -9.600 5.755 1.00 0.00 H new ATOM 0 HD3 PRO A 43 9.869 -9.501 4.150 1.00 0.00 H new ATOM 677 N ILE A 44 5.264 -12.316 5.281 1.00 0.00 N ATOM 678 CA ILE A 44 4.318 -12.591 6.352 1.00 0.00 C ATOM 679 C ILE A 44 4.302 -14.075 6.703 1.00 0.00 C ATOM 680 O ILE A 44 4.955 -14.504 7.655 1.00 0.00 O ATOM 681 CB ILE A 44 2.900 -12.144 5.948 1.00 0.00 C ATOM 682 CG1 ILE A 44 2.979 -10.945 4.994 1.00 0.00 C ATOM 683 CG2 ILE A 44 2.072 -11.808 7.181 1.00 0.00 C ATOM 684 CD1 ILE A 44 3.560 -9.695 5.629 1.00 0.00 C ATOM 0 H ILE A 44 5.108 -12.863 4.434 1.00 0.00 H new ATOM 0 HA ILE A 44 4.638 -12.027 7.228 1.00 0.00 H new ATOM 0 HB ILE A 44 2.406 -12.965 5.429 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.586 -11.219 4.131 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.979 -10.721 4.623 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.074 -11.494 6.875 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.996 -12.688 7.819 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.553 -11.000 7.733 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.584 -8.891 4.894 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.941 -9.395 6.475 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.573 -9.900 5.975 1.00 0.00 H new ATOM 696 N ALA A 45 3.554 -14.856 5.928 1.00 0.00 N ATOM 697 CA ALA A 45 3.466 -16.294 6.148 1.00 0.00 C ATOM 698 C ALA A 45 4.803 -16.971 5.856 1.00 0.00 C ATOM 699 O ALA A 45 5.853 -16.330 5.881 1.00 0.00 O ATOM 700 CB ALA A 45 2.364 -16.893 5.285 1.00 0.00 C ATOM 0 H ALA A 45 3.000 -14.515 5.142 1.00 0.00 H new ATOM 0 HA ALA A 45 3.221 -16.467 7.196 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.309 -17.968 5.459 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.410 -16.434 5.543 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.583 -16.707 4.234 1.00 0.00 H new ATOM 706 N PHE A 46 4.758 -18.268 5.567 1.00 0.00 N ATOM 707 CA PHE A 46 5.968 -19.021 5.262 1.00 0.00 C ATOM 708 C PHE A 46 6.506 -18.641 3.887 1.00 0.00 C ATOM 709 O PHE A 46 7.696 -18.797 3.609 1.00 0.00 O ATOM 710 CB PHE A 46 5.689 -20.523 5.319 1.00 0.00 C ATOM 711 CG PHE A 46 5.751 -21.091 6.708 1.00 0.00 C ATOM 712 CD1 PHE A 46 4.866 -20.664 7.686 1.00 0.00 C ATOM 713 CD2 PHE A 46 6.697 -22.048 7.038 1.00 0.00 C ATOM 714 CE1 PHE A 46 4.923 -21.183 8.966 1.00 0.00 C ATOM 715 CE2 PHE A 46 6.759 -22.570 8.317 1.00 0.00 C ATOM 716 CZ PHE A 46 5.870 -22.138 9.282 1.00 0.00 C ATOM 0 H PHE A 46 3.899 -18.817 5.538 1.00 0.00 H new ATOM 0 HA PHE A 46 6.721 -18.774 6.010 1.00 0.00 H new ATOM 0 HB2 PHE A 46 4.702 -20.717 4.899 1.00 0.00 H new ATOM 0 HB3 PHE A 46 6.411 -21.043 4.690 1.00 0.00 H new ATOM 0 HD1 PHE A 46 4.124 -19.917 7.445 1.00 0.00 H new ATOM 0 HD2 PHE A 46 7.394 -22.390 6.288 1.00 0.00 H new ATOM 0 HE1 PHE A 46 4.228 -20.842 9.719 1.00 0.00 H new ATOM 0 HE2 PHE A 46 7.502 -23.315 8.561 1.00 0.00 H new ATOM 0 HZ PHE A 46 5.915 -22.546 10.281 1.00 0.00 H new ATOM 726 N GLY A 47 5.625 -18.118 3.039 1.00 0.00 N ATOM 727 CA GLY A 47 6.029 -17.720 1.700 1.00 0.00 C ATOM 728 C GLY A 47 5.189 -16.585 1.138 1.00 0.00 C ATOM 729 O GLY A 47 5.431 -16.125 0.021 1.00 0.00 O ATOM 0 H GLY A 47 4.640 -17.963 3.254 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.075 -17.416 1.718 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.959 -18.580 1.035 1.00 0.00 H new ATOM 733 N LEU A 48 4.204 -16.129 1.908 1.00 0.00 N ATOM 734 CA LEU A 48 3.326 -15.051 1.477 1.00 0.00 C ATOM 735 C LEU A 48 3.878 -13.693 1.904 1.00 0.00 C ATOM 736 O LEU A 48 3.745 -13.296 3.062 1.00 0.00 O ATOM 737 CB LEU A 48 1.924 -15.266 2.053 1.00 0.00 C ATOM 738 CG LEU A 48 1.108 -16.369 1.370 1.00 0.00 C ATOM 739 CD1 LEU A 48 1.719 -17.739 1.623 1.00 0.00 C ATOM 740 CD2 LEU A 48 -0.335 -16.338 1.842 1.00 0.00 C ATOM 0 H LEU A 48 3.996 -16.493 2.838 1.00 0.00 H new ATOM 0 HA LEU A 48 3.270 -15.061 0.388 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.015 -15.505 3.113 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.371 -14.329 1.984 1.00 0.00 H new ATOM 0 HG LEU A 48 1.127 -16.182 0.296 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.119 -18.502 1.127 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.735 -17.763 1.229 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.741 -17.935 2.695 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.897 -17.129 1.345 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.368 -16.492 2.921 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.777 -15.371 1.599 1.00 0.00 H new ATOM 752 N VAL A 49 4.502 -12.991 0.962 1.00 0.00 N ATOM 753 CA VAL A 49 5.109 -11.693 1.241 1.00 0.00 C ATOM 754 C VAL A 49 4.165 -10.539 0.914 1.00 0.00 C ATOM 755 O VAL A 49 3.585 -10.483 -0.169 1.00 0.00 O ATOM 756 CB VAL A 49 6.418 -11.510 0.443 1.00 0.00 C ATOM 757 CG1 VAL A 49 6.995 -10.115 0.652 1.00 0.00 C ATOM 758 CG2 VAL A 49 7.432 -12.577 0.826 1.00 0.00 C ATOM 0 H VAL A 49 4.601 -13.301 -0.005 1.00 0.00 H new ATOM 0 HA VAL A 49 5.325 -11.676 2.309 1.00 0.00 H new ATOM 0 HB VAL A 49 6.187 -11.621 -0.616 1.00 0.00 H new ATOM 0 HG11 VAL A 49 7.917 -10.013 0.079 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.274 -9.369 0.316 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.207 -9.964 1.710 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.348 -12.431 0.253 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.654 -12.502 1.890 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.022 -13.563 0.609 1.00 0.00 H new ATOM 768 N ALA A 50 4.060 -9.595 1.847 1.00 0.00 N ATOM 769 CA ALA A 50 3.229 -8.412 1.658 1.00 0.00 C ATOM 770 C ALA A 50 4.063 -7.237 1.164 1.00 0.00 C ATOM 771 O ALA A 50 5.290 -7.244 1.267 1.00 0.00 O ATOM 772 CB ALA A 50 2.531 -8.033 2.953 1.00 0.00 C ATOM 0 H ALA A 50 4.543 -9.629 2.745 1.00 0.00 H new ATOM 0 HA ALA A 50 2.477 -8.651 0.906 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.916 -7.148 2.789 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.899 -8.858 3.281 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.276 -7.821 3.719 1.00 0.00 H new ATOM 778 N LEU A 51 3.387 -6.231 0.627 1.00 0.00 N ATOM 779 CA LEU A 51 4.055 -5.042 0.121 1.00 0.00 C ATOM 780 C LEU A 51 3.555 -3.797 0.839 1.00 0.00 C ATOM 781 O LEU A 51 2.366 -3.479 0.797 1.00 0.00 O ATOM 782 CB LEU A 51 3.815 -4.906 -1.384 1.00 0.00 C ATOM 783 CG LEU A 51 4.770 -5.711 -2.267 1.00 0.00 C ATOM 784 CD1 LEU A 51 4.619 -7.197 -1.991 1.00 0.00 C ATOM 785 CD2 LEU A 51 4.518 -5.410 -3.736 1.00 0.00 C ATOM 0 H LEU A 51 2.372 -6.216 0.531 1.00 0.00 H new ATOM 0 HA LEU A 51 5.124 -5.143 0.307 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.793 -5.216 -1.603 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.894 -3.853 -1.655 1.00 0.00 H new ATOM 0 HG LEU A 51 5.793 -5.419 -2.029 1.00 0.00 H new ATOM 0 HD11 LEU A 51 5.305 -7.757 -2.627 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.848 -7.398 -0.945 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.595 -7.504 -2.203 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.206 -5.991 -4.350 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.492 -5.675 -3.991 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.675 -4.347 -3.922 1.00 0.00 H new ATOM 797 N ASN A 52 4.468 -3.090 1.492 1.00 0.00 N ATOM 798 CA ASN A 52 4.119 -1.870 2.203 1.00 0.00 C ATOM 799 C ASN A 52 4.271 -0.671 1.284 1.00 0.00 C ATOM 800 O ASN A 52 5.345 -0.077 1.180 1.00 0.00 O ATOM 801 CB ASN A 52 4.999 -1.703 3.442 1.00 0.00 C ATOM 802 CG ASN A 52 5.318 -3.028 4.111 1.00 0.00 C ATOM 803 OD1 ASN A 52 6.415 -3.222 4.634 1.00 0.00 O ATOM 804 ND2 ASN A 52 4.356 -3.943 4.103 1.00 0.00 N ATOM 0 H ASN A 52 5.455 -3.341 1.543 1.00 0.00 H new ATOM 0 HA ASN A 52 3.080 -1.938 2.525 1.00 0.00 H new ATOM 0 HB2 ASN A 52 5.929 -1.209 3.160 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.496 -1.051 4.156 1.00 0.00 H new ATOM 0 HD21 ASN A 52 4.511 -4.850 4.542 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.462 -3.739 3.657 1.00 0.00 H new ATOM 811 N VAL A 53 3.183 -0.332 0.612 1.00 0.00 N ATOM 812 CA VAL A 53 3.173 0.767 -0.335 1.00 0.00 C ATOM 813 C VAL A 53 2.866 2.088 0.354 1.00 0.00 C ATOM 814 O VAL A 53 1.713 2.388 0.663 1.00 0.00 O ATOM 815 CB VAL A 53 2.135 0.534 -1.446 1.00 0.00 C ATOM 816 CG1 VAL A 53 2.376 1.483 -2.609 1.00 0.00 C ATOM 817 CG2 VAL A 53 2.163 -0.914 -1.908 1.00 0.00 C ATOM 0 H VAL A 53 2.287 -0.809 0.708 1.00 0.00 H new ATOM 0 HA VAL A 53 4.169 0.814 -0.774 1.00 0.00 H new ATOM 0 HB VAL A 53 1.144 0.740 -1.043 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.632 1.303 -3.385 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.296 2.513 -2.261 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.373 1.314 -3.016 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.422 -1.060 -2.694 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.154 -1.154 -2.294 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.933 -1.569 -1.067 1.00 0.00 H new ATOM 827 N MET A 54 3.902 2.894 0.542 1.00 0.00 N ATOM 828 CA MET A 54 3.751 4.197 1.173 1.00 0.00 C ATOM 829 C MET A 54 3.339 5.238 0.144 1.00 0.00 C ATOM 830 O MET A 54 3.406 4.991 -1.059 1.00 0.00 O ATOM 831 CB MET A 54 5.059 4.616 1.848 1.00 0.00 C ATOM 832 CG MET A 54 5.374 3.825 3.107 1.00 0.00 C ATOM 833 SD MET A 54 7.077 3.232 3.147 1.00 0.00 S ATOM 834 CE MET A 54 6.900 1.759 4.153 1.00 0.00 C ATOM 0 H MET A 54 4.857 2.668 0.266 1.00 0.00 H new ATOM 0 HA MET A 54 2.972 4.125 1.932 1.00 0.00 H new ATOM 0 HB2 MET A 54 5.878 4.497 1.139 1.00 0.00 H new ATOM 0 HB3 MET A 54 5.006 5.676 2.098 1.00 0.00 H new ATOM 0 HG2 MET A 54 5.191 4.451 3.980 1.00 0.00 H new ATOM 0 HG3 MET A 54 4.696 2.975 3.177 1.00 0.00 H new ATOM 0 HE1 MET A 54 7.881 1.318 4.328 1.00 0.00 H new ATOM 0 HE2 MET A 54 6.445 2.023 5.108 1.00 0.00 H new ATOM 0 HE3 MET A 54 6.266 1.039 3.635 1.00 0.00 H new ATOM 844 N VAL A 55 2.876 6.389 0.620 1.00 0.00 N ATOM 845 CA VAL A 55 2.424 7.451 -0.267 1.00 0.00 C ATOM 846 C VAL A 55 2.891 8.821 0.219 1.00 0.00 C ATOM 847 O VAL A 55 2.857 9.111 1.415 1.00 0.00 O ATOM 848 CB VAL A 55 0.886 7.453 -0.404 1.00 0.00 C ATOM 849 CG1 VAL A 55 0.366 6.044 -0.644 1.00 0.00 C ATOM 850 CG2 VAL A 55 0.224 8.063 0.823 1.00 0.00 C ATOM 0 H VAL A 55 2.805 6.609 1.614 1.00 0.00 H new ATOM 0 HA VAL A 55 2.866 7.254 -1.244 1.00 0.00 H new ATOM 0 HB VAL A 55 0.630 8.069 -1.266 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.720 6.068 -0.738 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.801 5.647 -1.561 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.644 5.406 0.195 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.859 8.050 0.697 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.493 7.485 1.707 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.563 9.092 0.946 1.00 0.00 H new ATOM 860 N VAL A 56 3.347 9.653 -0.713 1.00 0.00 N ATOM 861 CA VAL A 56 3.808 10.995 -0.375 1.00 0.00 C ATOM 862 C VAL A 56 2.687 12.016 -0.549 1.00 0.00 C ATOM 863 O VAL A 56 2.177 12.207 -1.653 1.00 0.00 O ATOM 864 CB VAL A 56 5.013 11.428 -1.239 1.00 0.00 C ATOM 865 CG1 VAL A 56 6.041 12.161 -0.390 1.00 0.00 C ATOM 866 CG2 VAL A 56 5.641 10.231 -1.935 1.00 0.00 C ATOM 0 H VAL A 56 3.407 9.422 -1.705 1.00 0.00 H new ATOM 0 HA VAL A 56 4.120 10.961 0.669 1.00 0.00 H new ATOM 0 HB VAL A 56 4.653 12.111 -2.008 1.00 0.00 H new ATOM 0 HG11 VAL A 56 6.883 12.459 -1.015 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.584 13.048 0.050 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.393 11.503 0.404 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.487 10.563 -2.537 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.985 9.515 -1.188 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.902 9.756 -2.579 1.00 0.00 H new ATOM 876 N VAL A 57 2.310 12.670 0.545 1.00 0.00 N ATOM 877 CA VAL A 57 1.259 13.679 0.509 1.00 0.00 C ATOM 878 C VAL A 57 1.712 14.963 1.196 1.00 0.00 C ATOM 879 O VAL A 57 2.414 14.922 2.207 1.00 0.00 O ATOM 880 CB VAL A 57 -0.036 13.179 1.179 1.00 0.00 C ATOM 881 CG1 VAL A 57 -0.587 11.968 0.441 1.00 0.00 C ATOM 882 CG2 VAL A 57 0.207 12.854 2.644 1.00 0.00 C ATOM 0 H VAL A 57 2.717 12.519 1.468 1.00 0.00 H new ATOM 0 HA VAL A 57 1.053 13.881 -0.542 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.778 13.976 1.128 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.501 11.630 0.929 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.806 12.240 -0.592 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.151 11.166 0.456 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.720 12.503 3.097 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.967 12.076 2.723 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.549 13.749 3.163 1.00 0.00 H new ATOM 892 N GLY A 58 1.309 16.100 0.640 1.00 0.00 N ATOM 893 CA GLY A 58 1.681 17.378 1.218 1.00 0.00 C ATOM 894 C GLY A 58 0.807 18.513 0.724 1.00 0.00 C ATOM 895 O GLY A 58 -0.008 19.050 1.475 1.00 0.00 O ATOM 0 H GLY A 58 0.732 16.160 -0.199 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.612 17.316 2.304 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.722 17.593 0.977 1.00 0.00 H new ATOM 899 N ASP A 59 0.979 18.881 -0.541 1.00 0.00 N ATOM 900 CA ASP A 59 0.191 19.955 -1.139 1.00 0.00 C ATOM 901 C ASP A 59 -1.171 19.436 -1.578 1.00 0.00 C ATOM 902 O ASP A 59 -2.030 20.201 -2.017 1.00 0.00 O ATOM 903 CB ASP A 59 0.933 20.557 -2.334 1.00 0.00 C ATOM 904 CG ASP A 59 0.420 21.936 -2.698 1.00 0.00 C ATOM 905 OD1 ASP A 59 -0.540 22.022 -3.495 1.00 0.00 O ATOM 906 OD2 ASP A 59 0.979 22.931 -2.191 1.00 0.00 O ATOM 0 H ASP A 59 1.656 18.453 -1.172 1.00 0.00 H new ATOM 0 HA ASP A 59 0.043 20.732 -0.389 1.00 0.00 H new ATOM 0 HB2 ASP A 59 1.997 20.617 -2.105 1.00 0.00 H new ATOM 0 HB3 ASP A 59 0.829 19.895 -3.194 1.00 0.00 H new ATOM 911 N ALA A 60 -1.354 18.125 -1.460 1.00 0.00 N ATOM 912 CA ALA A 60 -2.606 17.485 -1.835 1.00 0.00 C ATOM 913 C ALA A 60 -3.738 17.896 -0.898 1.00 0.00 C ATOM 914 O ALA A 60 -3.713 18.981 -0.314 1.00 0.00 O ATOM 915 CB ALA A 60 -2.433 15.975 -1.831 1.00 0.00 C ATOM 0 H ALA A 60 -0.645 17.483 -1.105 1.00 0.00 H new ATOM 0 HA ALA A 60 -2.873 17.812 -2.840 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.373 15.500 -2.112 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.658 15.696 -2.544 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.144 15.645 -0.833 1.00 0.00 H new ATOM 921 N GLU A 61 -4.728 17.022 -0.754 1.00 0.00 N ATOM 922 CA GLU A 61 -5.871 17.292 0.109 1.00 0.00 C ATOM 923 C GLU A 61 -6.403 16.004 0.720 1.00 0.00 C ATOM 924 O GLU A 61 -5.725 14.976 0.718 1.00 0.00 O ATOM 925 CB GLU A 61 -6.982 17.982 -0.684 1.00 0.00 C ATOM 926 CG GLU A 61 -6.979 17.645 -2.166 1.00 0.00 C ATOM 927 CD GLU A 61 -8.369 17.663 -2.770 1.00 0.00 C ATOM 928 OE1 GLU A 61 -9.161 16.746 -2.467 1.00 0.00 O ATOM 929 OE2 GLU A 61 -8.667 18.596 -3.546 1.00 0.00 O ATOM 0 H GLU A 61 -4.761 16.118 -1.225 1.00 0.00 H new ATOM 0 HA GLU A 61 -5.540 17.950 0.913 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -7.946 17.702 -0.259 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.883 19.061 -0.566 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -6.347 18.358 -2.696 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.537 16.659 -2.310 1.00 0.00 H new ATOM 936 N GLY A 62 -7.633 16.060 1.219 1.00 0.00 N ATOM 937 CA GLY A 62 -8.253 14.881 1.787 1.00 0.00 C ATOM 938 C GLY A 62 -8.830 13.990 0.708 1.00 0.00 C ATOM 939 O GLY A 62 -9.612 13.081 0.990 1.00 0.00 O ATOM 0 H GLY A 62 -8.210 16.901 1.240 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -7.517 14.324 2.367 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -9.043 15.179 2.477 1.00 0.00 H new ATOM 943 N GLY A 63 -8.435 14.257 -0.534 1.00 0.00 N ATOM 944 CA GLY A 63 -8.912 13.470 -1.655 1.00 0.00 C ATOM 945 C GLY A 63 -8.346 12.065 -1.655 1.00 0.00 C ATOM 946 O GLY A 63 -8.709 11.245 -2.499 1.00 0.00 O ATOM 0 H GLY A 63 -7.791 15.007 -0.783 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.000 13.421 -1.624 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.642 13.968 -2.586 1.00 0.00 H new ATOM 950 N THR A 64 -7.460 11.784 -0.705 1.00 0.00 N ATOM 951 CA THR A 64 -6.865 10.460 -0.591 1.00 0.00 C ATOM 952 C THR A 64 -7.875 9.481 -0.009 1.00 0.00 C ATOM 953 O THR A 64 -7.602 8.288 0.116 1.00 0.00 O ATOM 954 CB THR A 64 -5.608 10.496 0.280 1.00 0.00 C ATOM 955 OG1 THR A 64 -5.931 10.254 1.638 1.00 0.00 O ATOM 956 CG2 THR A 64 -4.865 11.813 0.210 1.00 0.00 C ATOM 0 H THR A 64 -7.140 12.454 -0.006 1.00 0.00 H new ATOM 0 HA THR A 64 -6.579 10.129 -1.589 1.00 0.00 H new ATOM 0 HB THR A 64 -4.961 9.714 -0.117 1.00 0.00 H new ATOM 0 HG1 THR A 64 -5.114 10.279 2.178 1.00 0.00 H new ATOM 0 HG21 THR A 64 -3.985 11.769 0.851 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.556 12.002 -0.818 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.519 12.618 0.546 1.00 0.00 H new ATOM 964 N GLU A 65 -9.046 10.005 0.344 1.00 0.00 N ATOM 965 CA GLU A 65 -10.130 9.186 0.867 1.00 0.00 C ATOM 966 C GLU A 65 -10.449 8.063 -0.104 1.00 0.00 C ATOM 967 O GLU A 65 -10.980 7.019 0.278 1.00 0.00 O ATOM 968 CB GLU A 65 -11.372 10.043 1.081 1.00 0.00 C ATOM 969 CG GLU A 65 -11.793 10.827 -0.152 1.00 0.00 C ATOM 970 CD GLU A 65 -13.292 10.801 -0.377 1.00 0.00 C ATOM 971 OE1 GLU A 65 -13.905 9.734 -0.167 1.00 0.00 O ATOM 972 OE2 GLU A 65 -13.852 11.847 -0.766 1.00 0.00 O ATOM 0 H GLU A 65 -9.267 10.999 0.276 1.00 0.00 H new ATOM 0 HA GLU A 65 -9.819 8.758 1.820 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -12.196 9.401 1.392 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -11.185 10.740 1.898 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -11.463 11.861 -0.051 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -11.291 10.416 -1.028 1.00 0.00 H new ATOM 979 N ALA A 66 -10.097 8.291 -1.360 1.00 0.00 N ATOM 980 CA ALA A 66 -10.341 7.322 -2.420 1.00 0.00 C ATOM 981 C ALA A 66 -9.694 5.983 -2.098 1.00 0.00 C ATOM 982 O ALA A 66 -10.173 4.938 -2.529 1.00 0.00 O ATOM 983 CB ALA A 66 -9.817 7.847 -3.748 1.00 0.00 C ATOM 0 H ALA A 66 -9.637 9.146 -1.673 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.418 7.172 -2.496 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -10.007 7.112 -4.530 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -10.324 8.780 -3.996 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -8.745 8.026 -3.671 1.00 0.00 H new ATOM 989 N ALA A 67 -8.627 6.017 -1.306 1.00 0.00 N ATOM 990 CA ALA A 67 -7.931 4.797 -0.918 1.00 0.00 C ATOM 991 C ALA A 67 -8.867 3.887 -0.135 1.00 0.00 C ATOM 992 O ALA A 67 -9.053 2.722 -0.487 1.00 0.00 O ATOM 993 CB ALA A 67 -6.694 5.126 -0.097 1.00 0.00 C ATOM 0 H ALA A 67 -8.227 6.873 -0.922 1.00 0.00 H new ATOM 0 HA ALA A 67 -7.612 4.275 -1.820 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.187 4.203 0.184 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.019 5.745 -0.688 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.988 5.667 0.803 1.00 0.00 H new ATOM 999 N GLU A 68 -9.480 4.439 0.906 1.00 0.00 N ATOM 1000 CA GLU A 68 -10.432 3.689 1.713 1.00 0.00 C ATOM 1001 C GLU A 68 -11.587 3.199 0.849 1.00 0.00 C ATOM 1002 O GLU A 68 -12.112 2.105 1.056 1.00 0.00 O ATOM 1003 CB GLU A 68 -10.964 4.557 2.854 1.00 0.00 C ATOM 1004 CG GLU A 68 -9.870 5.214 3.681 1.00 0.00 C ATOM 1005 CD GLU A 68 -10.399 5.844 4.955 1.00 0.00 C ATOM 1006 OE1 GLU A 68 -11.614 6.125 5.021 1.00 0.00 O ATOM 1007 OE2 GLU A 68 -9.597 6.060 5.888 1.00 0.00 O ATOM 0 H GLU A 68 -9.334 5.402 1.210 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.919 2.826 2.138 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.609 5.332 2.439 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -11.583 3.943 3.508 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -9.115 4.470 3.935 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.375 5.978 3.081 1.00 0.00 H new ATOM 1014 N GLU A 69 -11.997 4.033 -0.105 1.00 0.00 N ATOM 1015 CA GLU A 69 -13.069 3.673 -1.022 1.00 0.00 C ATOM 1016 C GLU A 69 -12.674 2.447 -1.835 1.00 0.00 C ATOM 1017 O GLU A 69 -13.437 1.489 -1.951 1.00 0.00 O ATOM 1018 CB GLU A 69 -13.391 4.841 -1.956 1.00 0.00 C ATOM 1019 CG GLU A 69 -14.849 5.269 -1.913 1.00 0.00 C ATOM 1020 CD GLU A 69 -15.515 5.212 -3.274 1.00 0.00 C ATOM 1021 OE1 GLU A 69 -14.874 5.620 -4.266 1.00 0.00 O ATOM 1022 OE2 GLU A 69 -16.676 4.761 -3.348 1.00 0.00 O ATOM 0 H GLU A 69 -11.602 4.960 -0.260 1.00 0.00 H new ATOM 0 HA GLU A 69 -13.960 3.439 -0.438 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -12.763 5.692 -1.691 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -13.133 4.561 -2.977 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -15.392 4.626 -1.220 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.914 6.285 -1.523 1.00 0.00 H new ATOM 1029 N SER A 70 -11.473 2.497 -2.401 1.00 0.00 N ATOM 1030 CA SER A 70 -10.947 1.390 -3.183 1.00 0.00 C ATOM 1031 C SER A 70 -10.764 0.162 -2.304 1.00 0.00 C ATOM 1032 O SER A 70 -10.701 -0.962 -2.797 1.00 0.00 O ATOM 1033 CB SER A 70 -9.613 1.781 -3.825 1.00 0.00 C ATOM 1034 OG SER A 70 -9.458 1.166 -5.093 1.00 0.00 O ATOM 0 H SER A 70 -10.845 3.297 -2.331 1.00 0.00 H new ATOM 0 HA SER A 70 -11.660 1.153 -3.972 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.562 2.864 -3.934 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.791 1.487 -3.172 1.00 0.00 H new ATOM 0 HG SER A 70 -8.599 1.432 -5.483 1.00 0.00 H new ATOM 1040 N LEU A 71 -10.701 0.389 -0.995 1.00 0.00 N ATOM 1041 CA LEU A 71 -10.539 -0.694 -0.033 1.00 0.00 C ATOM 1042 C LEU A 71 -11.840 -1.477 0.111 1.00 0.00 C ATOM 1043 O LEU A 71 -11.827 -2.681 0.369 1.00 0.00 O ATOM 1044 CB LEU A 71 -10.114 -0.133 1.324 1.00 0.00 C ATOM 1045 CG LEU A 71 -8.725 -0.562 1.810 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -8.664 -2.071 2.001 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -7.649 -0.097 0.839 1.00 0.00 C ATOM 0 H LEU A 71 -10.760 1.317 -0.576 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.764 -1.368 -0.397 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.141 0.955 1.272 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.850 -0.435 2.069 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.540 -0.090 2.775 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.670 -2.354 2.346 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.405 -2.374 2.741 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.874 -2.567 1.053 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.671 -0.412 1.202 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.830 -0.536 -0.142 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.675 0.990 0.761 1.00 0.00 H new ATOM 1059 N SER A 72 -12.962 -0.784 -0.072 1.00 0.00 N ATOM 1060 CA SER A 72 -14.276 -1.411 0.018 1.00 0.00 C ATOM 1061 C SER A 72 -14.456 -2.450 -1.086 1.00 0.00 C ATOM 1062 O SER A 72 -15.421 -3.215 -1.083 1.00 0.00 O ATOM 1063 CB SER A 72 -15.375 -0.351 -0.076 1.00 0.00 C ATOM 1064 OG SER A 72 -15.869 -0.244 -1.401 1.00 0.00 O ATOM 0 H SER A 72 -12.986 0.213 -0.284 1.00 0.00 H new ATOM 0 HA SER A 72 -14.349 -1.915 0.982 1.00 0.00 H new ATOM 0 HB2 SER A 72 -16.191 -0.608 0.600 1.00 0.00 H new ATOM 0 HB3 SER A 72 -14.983 0.613 0.248 1.00 0.00 H new ATOM 0 HG SER A 72 -15.255 0.302 -1.936 1.00 0.00 H new ATOM 1070 N GLY A 73 -13.516 -2.469 -2.027 1.00 0.00 N ATOM 1071 CA GLY A 73 -13.576 -3.413 -3.128 1.00 0.00 C ATOM 1072 C GLY A 73 -12.197 -3.767 -3.647 1.00 0.00 C ATOM 1073 O GLY A 73 -12.044 -4.212 -4.786 1.00 0.00 O ATOM 0 H GLY A 73 -12.710 -1.844 -2.046 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -14.084 -4.320 -2.801 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -14.170 -2.989 -3.937 1.00 0.00 H new ATOM 1077 N ILE A 74 -11.193 -3.570 -2.800 1.00 0.00 N ATOM 1078 CA ILE A 74 -9.808 -3.858 -3.153 1.00 0.00 C ATOM 1079 C ILE A 74 -9.565 -5.368 -3.198 1.00 0.00 C ATOM 1080 O ILE A 74 -10.514 -6.151 -3.234 1.00 0.00 O ATOM 1081 CB ILE A 74 -8.845 -3.185 -2.146 1.00 0.00 C ATOM 1082 CG1 ILE A 74 -7.508 -2.855 -2.813 1.00 0.00 C ATOM 1083 CG2 ILE A 74 -8.637 -4.056 -0.912 1.00 0.00 C ATOM 1084 CD1 ILE A 74 -7.125 -1.396 -2.699 1.00 0.00 C ATOM 0 H ILE A 74 -11.315 -3.208 -1.854 1.00 0.00 H new ATOM 0 HA ILE A 74 -9.614 -3.451 -4.145 1.00 0.00 H new ATOM 0 HB ILE A 74 -9.303 -2.252 -1.819 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.725 -3.465 -2.362 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -7.559 -3.129 -3.867 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -7.956 -3.555 -0.224 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -9.594 -4.222 -0.418 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -8.212 -5.014 -1.210 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.167 -1.232 -3.193 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -7.889 -0.781 -3.175 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -7.042 -1.123 -1.647 1.00 0.00 H new ATOM 1096 N GLU A 75 -8.295 -5.771 -3.195 1.00 0.00 N ATOM 1097 CA GLU A 75 -7.938 -7.187 -3.221 1.00 0.00 C ATOM 1098 C GLU A 75 -8.686 -7.958 -2.141 1.00 0.00 C ATOM 1099 O GLU A 75 -8.311 -7.930 -0.969 1.00 0.00 O ATOM 1100 CB GLU A 75 -6.433 -7.350 -3.015 1.00 0.00 C ATOM 1101 CG GLU A 75 -5.672 -7.696 -4.284 1.00 0.00 C ATOM 1102 CD GLU A 75 -6.112 -9.012 -4.897 1.00 0.00 C ATOM 1103 OE1 GLU A 75 -7.229 -9.065 -5.453 1.00 0.00 O ATOM 1104 OE2 GLU A 75 -5.333 -9.986 -4.836 1.00 0.00 O ATOM 0 H GLU A 75 -7.497 -5.136 -3.175 1.00 0.00 H new ATOM 0 HA GLU A 75 -8.220 -7.590 -4.194 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.030 -6.425 -2.602 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.260 -8.131 -2.275 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -5.810 -6.898 -5.013 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -4.606 -7.744 -4.061 1.00 0.00 H new ATOM 1111 N GLY A 76 -9.752 -8.638 -2.549 1.00 0.00 N ATOM 1112 CA GLY A 76 -10.539 -9.415 -1.611 1.00 0.00 C ATOM 1113 C GLY A 76 -9.733 -10.532 -0.981 1.00 0.00 C ATOM 1114 O GLY A 76 -10.017 -10.961 0.138 1.00 0.00 O ATOM 0 H GLY A 76 -10.085 -8.665 -3.513 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -10.922 -8.759 -0.829 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -11.403 -9.837 -2.125 1.00 0.00 H new ATOM 1118 N VAL A 77 -8.721 -10.997 -1.703 1.00 0.00 N ATOM 1119 CA VAL A 77 -7.857 -12.062 -1.216 1.00 0.00 C ATOM 1120 C VAL A 77 -6.671 -11.490 -0.452 1.00 0.00 C ATOM 1121 O VAL A 77 -6.241 -12.042 0.559 1.00 0.00 O ATOM 1122 CB VAL A 77 -7.347 -12.942 -2.376 1.00 0.00 C ATOM 1123 CG1 VAL A 77 -6.098 -12.354 -3.019 1.00 0.00 C ATOM 1124 CG2 VAL A 77 -7.082 -14.359 -1.890 1.00 0.00 C ATOM 0 H VAL A 77 -8.479 -10.651 -2.631 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.451 -12.680 -0.543 1.00 0.00 H new ATOM 0 HB VAL A 77 -8.126 -12.971 -3.138 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.768 -13.001 -3.832 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.324 -11.363 -3.413 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.307 -12.276 -2.273 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -6.723 -14.967 -2.720 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.329 -14.339 -1.103 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -8.004 -14.788 -1.499 1.00 0.00 H new ATOM 1134 N SER A 78 -6.172 -10.360 -0.934 1.00 0.00 N ATOM 1135 CA SER A 78 -5.031 -9.702 -0.326 1.00 0.00 C ATOM 1136 C SER A 78 -5.489 -8.618 0.637 1.00 0.00 C ATOM 1137 O SER A 78 -5.669 -7.465 0.246 1.00 0.00 O ATOM 1138 CB SER A 78 -4.140 -9.096 -1.420 1.00 0.00 C ATOM 1139 OG SER A 78 -4.059 -9.956 -2.542 1.00 0.00 O ATOM 0 H SER A 78 -6.546 -9.879 -1.752 1.00 0.00 H new ATOM 0 HA SER A 78 -4.458 -10.440 0.236 1.00 0.00 H new ATOM 0 HB2 SER A 78 -4.540 -8.129 -1.726 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.141 -8.916 -1.022 1.00 0.00 H new ATOM 0 HG SER A 78 -4.864 -9.853 -3.092 1.00 0.00 H new ATOM 1145 N ASN A 79 -5.697 -8.994 1.898 1.00 0.00 N ATOM 1146 CA ASN A 79 -6.109 -8.026 2.905 1.00 0.00 C ATOM 1147 C ASN A 79 -4.918 -7.199 3.308 1.00 0.00 C ATOM 1148 O ASN A 79 -3.839 -7.723 3.584 1.00 0.00 O ATOM 1149 CB ASN A 79 -6.723 -8.700 4.131 1.00 0.00 C ATOM 1150 CG ASN A 79 -6.558 -7.887 5.417 1.00 0.00 C ATOM 1151 OD1 ASN A 79 -6.744 -6.557 5.361 1.00 0.00 O flip ATOM 1152 ND2 ASN A 79 -6.277 -8.455 6.473 1.00 0.00 N flip ATOM 0 H ASN A 79 -5.588 -9.949 2.240 1.00 0.00 H new ATOM 0 HA ASN A 79 -6.879 -7.389 2.471 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -7.785 -8.869 3.950 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -6.263 -9.679 4.267 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -6.141 -9.466 6.488 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -6.180 -7.915 7.333 1.00 0.00 H new ATOM 1159 N ILE A 80 -5.123 -5.907 3.330 1.00 0.00 N ATOM 1160 CA ILE A 80 -4.058 -4.987 3.605 1.00 0.00 C ATOM 1161 C ILE A 80 -4.088 -4.475 5.034 1.00 0.00 C ATOM 1162 O ILE A 80 -5.154 -4.265 5.614 1.00 0.00 O ATOM 1163 CB ILE A 80 -4.158 -3.789 2.659 1.00 0.00 C ATOM 1164 CG1 ILE A 80 -4.436 -4.254 1.229 1.00 0.00 C ATOM 1165 CG2 ILE A 80 -2.895 -2.966 2.730 1.00 0.00 C ATOM 1166 CD1 ILE A 80 -4.825 -3.133 0.290 1.00 0.00 C ATOM 0 H ILE A 80 -6.028 -5.469 3.159 1.00 0.00 H new ATOM 0 HA ILE A 80 -3.123 -5.528 3.457 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.993 -3.161 2.971 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.548 -4.751 0.839 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.235 -4.995 1.246 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -2.976 -2.116 2.053 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.752 -2.606 3.749 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -2.043 -3.581 2.439 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.007 -3.539 -0.705 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.731 -2.650 0.656 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.018 -2.402 0.242 1.00 0.00 H new ATOM 1178 N GLU A 81 -2.903 -4.220 5.568 1.00 0.00 N ATOM 1179 CA GLU A 81 -2.771 -3.602 6.869 1.00 0.00 C ATOM 1180 C GLU A 81 -2.845 -2.107 6.652 1.00 0.00 C ATOM 1181 O GLU A 81 -1.838 -1.398 6.694 1.00 0.00 O ATOM 1182 CB GLU A 81 -1.447 -3.994 7.529 1.00 0.00 C ATOM 1183 CG GLU A 81 -1.406 -3.716 9.023 1.00 0.00 C ATOM 1184 CD GLU A 81 -2.115 -4.781 9.834 1.00 0.00 C ATOM 1185 OE1 GLU A 81 -2.003 -5.973 9.477 1.00 0.00 O ATOM 1186 OE2 GLU A 81 -2.782 -4.425 10.828 1.00 0.00 O ATOM 0 H GLU A 81 -2.016 -4.435 5.113 1.00 0.00 H new ATOM 0 HA GLU A 81 -3.564 -3.936 7.538 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.267 -5.056 7.360 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.635 -3.452 7.045 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -0.368 -3.649 9.348 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -1.866 -2.748 9.221 1.00 0.00 H new ATOM 1193 N VAL A 82 -4.044 -1.666 6.298 1.00 0.00 N ATOM 1194 CA VAL A 82 -4.290 -0.288 5.930 1.00 0.00 C ATOM 1195 C VAL A 82 -4.431 0.593 7.170 1.00 0.00 C ATOM 1196 O VAL A 82 -5.386 1.357 7.316 1.00 0.00 O ATOM 1197 CB VAL A 82 -5.559 -0.199 5.052 1.00 0.00 C ATOM 1198 CG1 VAL A 82 -5.823 1.235 4.619 1.00 0.00 C ATOM 1199 CG2 VAL A 82 -5.428 -1.103 3.839 1.00 0.00 C ATOM 0 H VAL A 82 -4.873 -2.259 6.259 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.437 0.077 5.358 1.00 0.00 H new ATOM 0 HB VAL A 82 -6.408 -0.534 5.648 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -6.721 1.269 4.003 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -5.963 1.861 5.500 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -4.974 1.604 4.044 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -6.330 -1.029 3.231 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.565 -0.796 3.248 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.295 -2.134 4.166 1.00 0.00 H new ATOM 1209 N THR A 83 -3.486 0.438 8.087 1.00 0.00 N ATOM 1210 CA THR A 83 -3.475 1.219 9.314 1.00 0.00 C ATOM 1211 C THR A 83 -2.089 1.793 9.593 1.00 0.00 C ATOM 1212 O THR A 83 -1.823 2.265 10.700 1.00 0.00 O ATOM 1213 CB THR A 83 -3.927 0.355 10.491 1.00 0.00 C ATOM 1214 OG1 THR A 83 -4.933 -0.556 10.087 1.00 0.00 O ATOM 1215 CG2 THR A 83 -4.472 1.160 11.649 1.00 0.00 C ATOM 0 H THR A 83 -2.715 -0.224 8.003 1.00 0.00 H new ATOM 0 HA THR A 83 -4.168 2.051 9.189 1.00 0.00 H new ATOM 0 HB THR A 83 -3.032 -0.170 10.825 1.00 0.00 H new ATOM 0 HG1 THR A 83 -5.208 -1.101 10.854 1.00 0.00 H new ATOM 0 HG21 THR A 83 -4.775 0.486 12.450 1.00 0.00 H new ATOM 0 HG22 THR A 83 -3.701 1.837 12.016 1.00 0.00 H new ATOM 0 HG23 THR A 83 -5.334 1.738 11.316 1.00 0.00 H new ATOM 1223 N ASP A 84 -1.175 1.677 8.629 1.00 0.00 N ATOM 1224 CA ASP A 84 0.179 2.164 8.821 1.00 0.00 C ATOM 1225 C ASP A 84 0.284 3.645 8.472 1.00 0.00 C ATOM 1226 O ASP A 84 -0.463 4.151 7.633 1.00 0.00 O ATOM 1227 CB ASP A 84 1.154 1.336 7.988 1.00 0.00 C ATOM 1228 CG ASP A 84 2.595 1.515 8.429 1.00 0.00 C ATOM 1229 OD1 ASP A 84 3.114 2.644 8.322 1.00 0.00 O ATOM 1230 OD2 ASP A 84 3.202 0.523 8.885 1.00 0.00 O ATOM 0 H ASP A 84 -1.351 1.253 7.718 1.00 0.00 H new ATOM 0 HA ASP A 84 0.440 2.056 9.874 1.00 0.00 H new ATOM 0 HB2 ASP A 84 0.884 0.282 8.060 1.00 0.00 H new ATOM 0 HB3 ASP A 84 1.061 1.618 6.939 1.00 0.00 H new