USER MOD reduce.3.24.130724 H: found=0, std=0, add=343, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 345 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 16 GLN :FLIP amide:sc= -0.627 F(o=-3.4,f=-0.79) USER MOD Set 1.2: A 19 MET CE :methyl -167:sc= -0.163 (180deg=-0.329) USER MOD Single : A 1 GLY N :NH3+ -131:sc= 0.196 (180deg=-0.664) USER MOD Single : A 5 THR OG1 : rot -9:sc= 0.294 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 113:sc= 0.886 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 74:sc= 0.299 USER MOD Single : A 42 MET CE :methyl 166:sc=-0.00901 (180deg=-0.243) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -29.900 -21.022 30.672 1.00 0.00 N ATOM 2 CA GLY A 1 -31.120 -20.242 30.715 1.00 0.00 C ATOM 3 C GLY A 1 -31.127 -19.225 29.585 1.00 0.00 C ATOM 4 O GLY A 1 -30.187 -19.150 28.798 1.00 0.00 O ATOM 0 H1 GLY A 1 -30.132 -22.034 30.736 1.00 0.00 H new ATOM 0 H2 GLY A 1 -29.401 -20.837 29.779 1.00 0.00 H new ATOM 0 H3 GLY A 1 -29.290 -20.756 31.471 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -31.985 -20.900 30.629 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -31.202 -19.732 31.675 1.00 0.00 H new ATOM 8 N VAL A 2 -32.203 -18.446 29.520 1.00 0.00 N ATOM 9 CA VAL A 2 -32.363 -17.420 28.494 1.00 0.00 C ATOM 10 C VAL A 2 -31.386 -16.279 28.725 1.00 0.00 C ATOM 11 O VAL A 2 -30.752 -15.785 27.793 1.00 0.00 O ATOM 12 CB VAL A 2 -33.787 -16.833 28.500 1.00 0.00 C ATOM 13 CG1 VAL A 2 -33.876 -15.643 27.557 1.00 0.00 C ATOM 14 CG2 VAL A 2 -34.796 -17.878 28.053 1.00 0.00 C ATOM 0 H VAL A 2 -32.984 -18.507 30.173 1.00 0.00 H new ATOM 0 HA VAL A 2 -32.171 -17.900 27.534 1.00 0.00 H new ATOM 0 HB VAL A 2 -34.011 -16.515 29.518 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -34.889 -15.241 27.574 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -33.174 -14.873 27.876 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -33.629 -15.962 26.544 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -35.797 -17.446 28.063 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -34.554 -18.209 27.043 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -34.762 -18.730 28.732 1.00 0.00 H new ATOM 24 N ILE A 3 -31.272 -15.866 29.984 1.00 0.00 N ATOM 25 CA ILE A 3 -30.376 -14.781 30.371 1.00 0.00 C ATOM 26 C ILE A 3 -28.926 -15.187 30.163 1.00 0.00 C ATOM 27 O ILE A 3 -28.100 -14.392 29.719 1.00 0.00 O ATOM 28 CB ILE A 3 -30.554 -14.404 31.854 1.00 0.00 C ATOM 29 CG1 ILE A 3 -31.935 -13.790 32.086 1.00 0.00 C ATOM 30 CG2 ILE A 3 -29.499 -13.392 32.276 1.00 0.00 C ATOM 31 CD1 ILE A 3 -32.289 -13.617 33.547 1.00 0.00 C ATOM 0 H ILE A 3 -31.795 -16.271 30.760 1.00 0.00 H new ATOM 0 HA ILE A 3 -30.627 -13.925 29.744 1.00 0.00 H new ATOM 0 HB ILE A 3 -30.450 -15.314 32.445 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -31.978 -12.818 31.594 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -32.687 -14.421 31.612 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -29.639 -13.137 33.326 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -28.507 -13.821 32.136 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -29.594 -12.492 31.668 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -33.282 -13.176 33.631 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -32.280 -14.589 34.041 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -31.560 -12.961 34.023 1.00 0.00 H new ATOM 43 N ASP A 4 -28.629 -16.441 30.491 1.00 0.00 N ATOM 44 CA ASP A 4 -27.282 -16.985 30.351 1.00 0.00 C ATOM 45 C ASP A 4 -26.753 -16.743 28.946 1.00 0.00 C ATOM 46 O ASP A 4 -25.585 -16.406 28.755 1.00 0.00 O ATOM 47 CB ASP A 4 -27.283 -18.492 30.614 1.00 0.00 C ATOM 48 CG ASP A 4 -27.498 -18.828 32.077 1.00 0.00 C ATOM 49 OD1 ASP A 4 -27.372 -20.017 32.438 1.00 0.00 O ATOM 50 OD2 ASP A 4 -27.794 -17.902 32.862 1.00 0.00 O ATOM 0 H ASP A 4 -29.310 -17.105 30.859 1.00 0.00 H new ATOM 0 HA ASP A 4 -26.644 -16.483 31.078 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -28.066 -18.961 30.018 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -26.335 -18.916 30.283 1.00 0.00 H new ATOM 56 N THR A 5 -27.632 -16.919 27.963 1.00 0.00 N ATOM 57 CA THR A 5 -27.281 -16.727 26.559 1.00 0.00 C ATOM 58 C THR A 5 -27.644 -15.321 26.108 1.00 0.00 C ATOM 59 O THR A 5 -27.412 -14.941 24.962 1.00 0.00 O ATOM 60 CB THR A 5 -28.025 -17.723 25.650 1.00 0.00 C ATOM 61 OG1 THR A 5 -29.438 -17.516 25.765 1.00 0.00 O ATOM 62 CG2 THR A 5 -27.702 -19.154 26.052 1.00 0.00 C ATOM 0 H THR A 5 -28.601 -17.197 28.116 1.00 0.00 H new ATOM 0 HA THR A 5 -26.207 -16.891 26.475 1.00 0.00 H new ATOM 0 HB THR A 5 -27.705 -17.558 24.621 1.00 0.00 H new ATOM 0 HG1 THR A 5 -29.619 -16.894 26.500 1.00 0.00 H new ATOM 0 HG21 THR A 5 -28.236 -19.845 25.399 1.00 0.00 H new ATOM 0 HG22 THR A 5 -26.629 -19.324 25.960 1.00 0.00 H new ATOM 0 HG23 THR A 5 -28.009 -19.320 27.085 1.00 0.00 H new ATOM 70 N SER A 6 -28.219 -14.553 27.029 1.00 0.00 N ATOM 71 CA SER A 6 -28.627 -13.179 26.753 1.00 0.00 C ATOM 72 C SER A 6 -27.499 -12.412 26.081 1.00 0.00 C ATOM 73 O SER A 6 -27.643 -11.917 24.964 1.00 0.00 O ATOM 74 CB SER A 6 -28.995 -12.458 28.052 1.00 0.00 C ATOM 75 OG SER A 6 -29.384 -11.119 27.799 1.00 0.00 O ATOM 0 H SER A 6 -28.414 -14.863 27.981 1.00 0.00 H new ATOM 0 HA SER A 6 -29.493 -13.217 26.092 1.00 0.00 H new ATOM 0 HB2 SER A 6 -29.807 -12.988 28.549 1.00 0.00 H new ATOM 0 HB3 SER A 6 -28.144 -12.470 28.732 1.00 0.00 H new ATOM 0 HG SER A 6 -29.616 -10.680 28.644 1.00 0.00 H new ATOM 81 N ALA A 7 -26.371 -12.320 26.780 1.00 0.00 N ATOM 82 CA ALA A 7 -25.196 -11.617 26.274 1.00 0.00 C ATOM 83 C ALA A 7 -24.715 -12.248 24.977 1.00 0.00 C ATOM 84 O ALA A 7 -24.344 -11.555 24.031 1.00 0.00 O ATOM 85 CB ALA A 7 -24.064 -11.678 27.288 1.00 0.00 C ATOM 0 H ALA A 7 -26.246 -12.728 27.707 1.00 0.00 H new ATOM 0 HA ALA A 7 -25.479 -10.580 26.096 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -23.195 -11.149 26.896 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -24.384 -11.210 28.219 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -23.801 -12.719 27.477 1.00 0.00 H new ATOM 91 N VAL A 8 -24.727 -13.578 24.946 1.00 0.00 N ATOM 92 CA VAL A 8 -24.297 -14.335 23.774 1.00 0.00 C ATOM 93 C VAL A 8 -25.199 -14.038 22.588 1.00 0.00 C ATOM 94 O VAL A 8 -24.735 -13.878 21.460 1.00 0.00 O ATOM 95 CB VAL A 8 -24.342 -15.852 24.034 1.00 0.00 C ATOM 96 CG1 VAL A 8 -24.094 -16.621 22.746 1.00 0.00 C ATOM 97 CG2 VAL A 8 -23.277 -16.251 25.045 1.00 0.00 C ATOM 0 H VAL A 8 -25.033 -14.158 25.727 1.00 0.00 H new ATOM 0 HA VAL A 8 -23.272 -14.032 23.561 1.00 0.00 H new ATOM 0 HB VAL A 8 -25.331 -16.093 24.424 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -24.129 -17.691 22.949 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -24.861 -16.364 22.016 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -23.113 -16.359 22.349 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -23.323 -17.326 25.217 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -22.292 -15.987 24.659 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -23.452 -15.726 25.984 1.00 0.00 H new ATOM 107 N GLU A 9 -26.500 -13.966 22.858 1.00 0.00 N ATOM 108 CA GLU A 9 -27.497 -13.687 21.828 1.00 0.00 C ATOM 109 C GLU A 9 -27.189 -12.372 21.131 1.00 0.00 C ATOM 110 O GLU A 9 -27.346 -12.243 19.918 1.00 0.00 O ATOM 111 CB GLU A 9 -28.893 -13.591 22.446 1.00 0.00 C ATOM 112 CG GLU A 9 -30.006 -13.371 21.434 1.00 0.00 C ATOM 113 CD GLU A 9 -31.379 -13.332 22.077 1.00 0.00 C ATOM 114 OE1 GLU A 9 -31.459 -13.475 23.315 1.00 0.00 O ATOM 115 OE2 GLU A 9 -32.374 -13.158 21.342 1.00 0.00 O ATOM 0 H GLU A 9 -26.891 -14.098 23.791 1.00 0.00 H new ATOM 0 HA GLU A 9 -27.467 -14.504 21.107 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -29.097 -14.507 23.001 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -28.904 -12.773 23.166 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -29.830 -12.435 20.904 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -29.979 -14.168 20.691 1.00 0.00 H new ATOM 123 N SER A 10 -26.748 -11.395 21.917 1.00 0.00 N ATOM 124 CA SER A 10 -26.408 -10.072 21.401 1.00 0.00 C ATOM 125 C SER A 10 -25.012 -10.076 20.800 1.00 0.00 C ATOM 126 O SER A 10 -24.795 -9.591 19.691 1.00 0.00 O ATOM 127 CB SER A 10 -26.447 -9.033 22.523 1.00 0.00 C ATOM 128 OG SER A 10 -27.756 -8.900 23.049 1.00 0.00 O ATOM 0 H SER A 10 -26.617 -11.496 22.923 1.00 0.00 H new ATOM 0 HA SER A 10 -27.140 -9.818 20.634 1.00 0.00 H new ATOM 0 HB2 SER A 10 -25.760 -9.325 23.318 1.00 0.00 H new ATOM 0 HB3 SER A 10 -26.104 -8.070 22.144 1.00 0.00 H new ATOM 0 HG SER A 10 -27.754 -8.232 23.766 1.00 0.00 H new ATOM 134 N ALA A 11 -24.065 -10.634 21.551 1.00 0.00 N ATOM 135 CA ALA A 11 -22.674 -10.717 21.116 1.00 0.00 C ATOM 136 C ALA A 11 -22.545 -11.646 19.920 1.00 0.00 C ATOM 137 O ALA A 11 -21.783 -11.384 18.991 1.00 0.00 O ATOM 138 CB ALA A 11 -21.798 -11.252 22.239 1.00 0.00 C ATOM 0 H ALA A 11 -24.239 -11.038 22.471 1.00 0.00 H new ATOM 0 HA ALA A 11 -22.350 -9.713 20.840 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -20.764 -11.308 21.899 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -21.861 -10.585 23.099 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -22.140 -12.247 22.525 1.00 0.00 H new ATOM 144 N ILE A 12 -23.302 -12.738 19.956 1.00 0.00 N ATOM 145 CA ILE A 12 -23.293 -13.730 18.885 1.00 0.00 C ATOM 146 C ILE A 12 -23.880 -13.143 17.612 1.00 0.00 C ATOM 147 O ILE A 12 -23.328 -13.302 16.524 1.00 0.00 O ATOM 148 CB ILE A 12 -24.122 -14.973 19.260 1.00 0.00 C ATOM 149 CG1 ILE A 12 -23.461 -15.726 20.416 1.00 0.00 C ATOM 150 CG2 ILE A 12 -24.234 -15.916 18.072 1.00 0.00 C ATOM 151 CD1 ILE A 12 -22.068 -16.226 20.101 1.00 0.00 C ATOM 0 H ILE A 12 -23.936 -12.960 20.724 1.00 0.00 H new ATOM 0 HA ILE A 12 -22.254 -14.019 18.729 1.00 0.00 H new ATOM 0 HB ILE A 12 -25.115 -14.635 19.558 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -23.414 -15.070 21.285 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -24.088 -16.574 20.691 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -24.823 -16.789 18.354 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -24.722 -15.402 17.244 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -23.238 -16.234 17.765 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -21.665 -16.749 20.968 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -22.110 -16.909 19.252 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -21.425 -15.381 19.856 1.00 0.00 H new ATOM 163 N THR A 13 -25.011 -12.458 17.763 1.00 0.00 N ATOM 164 CA THR A 13 -25.701 -11.832 16.638 1.00 0.00 C ATOM 165 C THR A 13 -24.842 -10.734 16.032 1.00 0.00 C ATOM 166 O THR A 13 -24.748 -10.600 14.813 1.00 0.00 O ATOM 167 CB THR A 13 -27.037 -11.202 17.075 1.00 0.00 C ATOM 168 OG1 THR A 13 -27.906 -12.222 17.582 1.00 0.00 O ATOM 169 CG2 THR A 13 -27.714 -10.519 15.897 1.00 0.00 C ATOM 0 H THR A 13 -25.473 -12.322 18.662 1.00 0.00 H new ATOM 0 HA THR A 13 -25.891 -12.617 15.906 1.00 0.00 H new ATOM 0 HB THR A 13 -26.834 -10.463 17.850 1.00 0.00 H new ATOM 0 HG1 THR A 13 -28.045 -12.086 18.543 1.00 0.00 H new ATOM 0 HG21 THR A 13 -28.656 -10.079 16.224 1.00 0.00 H new ATOM 0 HG22 THR A 13 -27.064 -9.735 15.508 1.00 0.00 H new ATOM 0 HG23 THR A 13 -27.908 -11.252 15.114 1.00 0.00 H new ATOM 177 N ASP A 14 -24.215 -9.947 16.903 1.00 0.00 N ATOM 178 CA ASP A 14 -23.354 -8.847 16.481 1.00 0.00 C ATOM 179 C ASP A 14 -22.095 -9.381 15.820 1.00 0.00 C ATOM 180 O ASP A 14 -21.720 -8.955 14.728 1.00 0.00 O ATOM 181 CB ASP A 14 -22.945 -7.995 17.684 1.00 0.00 C ATOM 182 CG ASP A 14 -24.094 -7.174 18.235 1.00 0.00 C ATOM 183 OD1 ASP A 14 -23.851 -6.337 19.129 1.00 0.00 O ATOM 184 OD2 ASP A 14 -25.238 -7.367 17.771 1.00 0.00 O ATOM 0 H ASP A 14 -24.289 -10.053 17.915 1.00 0.00 H new ATOM 0 HA ASP A 14 -23.915 -8.239 15.771 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -22.558 -8.644 18.469 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -22.134 -7.328 17.393 1.00 0.00 H new ATOM 190 N GLY A 15 -21.443 -10.321 16.498 1.00 0.00 N ATOM 191 CA GLY A 15 -20.217 -10.935 15.998 1.00 0.00 C ATOM 192 C GLY A 15 -20.541 -12.056 15.023 1.00 0.00 C ATOM 193 O GLY A 15 -20.271 -11.956 13.827 1.00 0.00 O ATOM 0 H GLY A 15 -21.747 -10.677 17.404 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -19.602 -10.183 15.505 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -19.634 -11.327 16.831 1.00 0.00 H new ATOM 197 N GLN A 16 -21.124 -13.127 15.552 1.00 0.00 N ATOM 198 CA GLN A 16 -21.499 -14.287 14.750 1.00 0.00 C ATOM 199 C GLN A 16 -22.264 -13.853 13.510 1.00 0.00 C ATOM 200 O GLN A 16 -21.900 -14.193 12.386 1.00 0.00 O ATOM 201 CB GLN A 16 -22.388 -15.233 15.559 1.00 0.00 C ATOM 202 CG GLN A 16 -22.792 -16.495 14.814 1.00 0.00 C ATOM 203 CD GLN A 16 -21.608 -17.383 14.486 1.00 0.00 C ATOM 204 OE1 GLN A 16 -21.451 -17.710 13.209 1.00 0.00 O flip ATOM 205 NE2 GLN A 16 -20.845 -17.768 15.372 1.00 0.00 N flip ATOM 0 H GLN A 16 -21.349 -13.216 16.543 1.00 0.00 H new ATOM 0 HA GLN A 16 -20.582 -14.799 14.459 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -21.864 -15.515 16.472 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -23.289 -14.698 15.861 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -23.506 -17.056 15.417 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -23.302 -16.220 13.891 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -21.006 -17.490 16.340 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -20.051 -18.365 15.138 1.00 0.00 H new ATOM 214 N GLY A 17 -23.333 -13.093 13.732 1.00 0.00 N ATOM 215 CA GLY A 17 -24.174 -12.594 12.647 1.00 0.00 C ATOM 216 C GLY A 17 -23.324 -11.914 11.585 1.00 0.00 C ATOM 217 O GLY A 17 -23.480 -12.163 10.391 1.00 0.00 O ATOM 0 H GLY A 17 -23.639 -12.807 14.662 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -24.732 -13.418 12.202 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -24.907 -11.890 13.041 1.00 0.00 H new ATOM 221 N ASP A 18 -22.420 -11.050 12.038 1.00 0.00 N ATOM 222 CA ASP A 18 -21.527 -10.316 11.146 1.00 0.00 C ATOM 223 C ASP A 18 -20.745 -11.278 10.267 1.00 0.00 C ATOM 224 O ASP A 18 -20.137 -10.882 9.274 1.00 0.00 O ATOM 225 CB ASP A 18 -20.532 -9.480 11.953 1.00 0.00 C ATOM 226 CG ASP A 18 -21.188 -8.303 12.647 1.00 0.00 C ATOM 227 OD1 ASP A 18 -20.564 -7.222 12.702 1.00 0.00 O ATOM 228 OD2 ASP A 18 -22.326 -8.461 13.136 1.00 0.00 O ATOM 0 H ASP A 18 -22.286 -10.840 13.027 1.00 0.00 H new ATOM 0 HA ASP A 18 -22.140 -9.663 10.525 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -20.050 -10.114 12.698 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -19.748 -9.115 11.290 1.00 0.00 H new ATOM 234 N MET A 19 -20.768 -12.552 10.646 1.00 0.00 N ATOM 235 CA MET A 19 -20.067 -13.599 9.909 1.00 0.00 C ATOM 236 C MET A 19 -20.660 -13.760 8.519 1.00 0.00 C ATOM 237 O MET A 19 -19.940 -13.906 7.533 1.00 0.00 O ATOM 238 CB MET A 19 -20.181 -14.938 10.641 1.00 0.00 C ATOM 239 CG MET A 19 -19.407 -16.071 9.987 1.00 0.00 C ATOM 240 SD MET A 19 -19.556 -17.626 10.887 1.00 0.00 S ATOM 241 CE MET A 19 -18.617 -17.252 12.366 1.00 0.00 C ATOM 0 H MET A 19 -21.270 -12.887 11.468 1.00 0.00 H new ATOM 0 HA MET A 19 -19.020 -13.307 9.833 1.00 0.00 H new ATOM 0 HB2 MET A 19 -19.825 -14.812 11.664 1.00 0.00 H new ATOM 0 HB3 MET A 19 -21.233 -15.218 10.702 1.00 0.00 H new ATOM 0 HG2 MET A 19 -19.767 -16.210 8.968 1.00 0.00 H new ATOM 0 HG3 MET A 19 -18.355 -15.795 9.919 1.00 0.00 H new ATOM 0 HE1 MET A 19 -18.419 -18.173 12.914 1.00 0.00 H new ATOM 0 HE2 MET A 19 -17.672 -16.785 12.089 1.00 0.00 H new ATOM 0 HE3 MET A 19 -19.188 -16.570 12.997 1.00 0.00 H new ATOM 251 N LYS A 20 -21.988 -13.731 8.454 1.00 0.00 N ATOM 252 CA LYS A 20 -22.711 -13.872 7.193 1.00 0.00 C ATOM 253 C LYS A 20 -22.280 -12.795 6.210 1.00 0.00 C ATOM 254 O LYS A 20 -22.093 -13.055 5.023 1.00 0.00 O ATOM 255 CB LYS A 20 -24.218 -13.743 7.422 1.00 0.00 C ATOM 256 CG LYS A 20 -25.056 -13.939 6.169 1.00 0.00 C ATOM 257 CD LYS A 20 -26.541 -13.854 6.479 1.00 0.00 C ATOM 258 CE LYS A 20 -27.378 -14.036 5.223 1.00 0.00 C ATOM 259 NZ LYS A 20 -28.837 -13.966 5.513 1.00 0.00 N ATOM 0 H LYS A 20 -22.591 -13.610 9.268 1.00 0.00 H new ATOM 0 HA LYS A 20 -22.482 -14.857 6.787 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -24.525 -14.475 8.169 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -24.428 -12.757 7.836 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -24.793 -13.182 5.431 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -24.830 -14.909 5.726 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -26.807 -14.618 7.210 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -26.766 -12.888 6.932 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -27.115 -13.267 4.497 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -27.144 -14.998 4.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -29.373 -14.095 4.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -29.093 -14.716 6.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -29.065 -13.038 5.924 1.00 0.00 H new ATOM 273 N ALA A 21 -22.125 -11.577 6.723 1.00 0.00 N ATOM 274 CA ALA A 21 -21.716 -10.435 5.911 1.00 0.00 C ATOM 275 C ALA A 21 -20.276 -10.596 5.453 1.00 0.00 C ATOM 276 O ALA A 21 -19.937 -10.306 4.307 1.00 0.00 O ATOM 277 CB ALA A 21 -21.825 -9.148 6.713 1.00 0.00 C ATOM 0 H ALA A 21 -22.278 -11.355 7.707 1.00 0.00 H new ATOM 0 HA ALA A 21 -22.376 -10.389 5.045 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -21.516 -8.306 6.093 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -22.857 -9.005 7.032 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -21.179 -9.209 7.589 1.00 0.00 H new ATOM 283 N ILE A 22 -19.431 -11.065 6.368 1.00 0.00 N ATOM 284 CA ILE A 22 -18.014 -11.275 6.085 1.00 0.00 C ATOM 285 C ILE A 22 -17.838 -12.349 5.023 1.00 0.00 C ATOM 286 O ILE A 22 -17.113 -12.164 4.047 1.00 0.00 O ATOM 287 CB ILE A 22 -17.247 -11.722 7.343 1.00 0.00 C ATOM 288 CG1 ILE A 22 -17.203 -10.590 8.372 1.00 0.00 C ATOM 289 CG2 ILE A 22 -15.819 -12.107 6.989 1.00 0.00 C ATOM 290 CD1 ILE A 22 -16.688 -11.018 9.729 1.00 0.00 C ATOM 0 H ILE A 22 -19.707 -11.308 7.319 1.00 0.00 H new ATOM 0 HA ILE A 22 -17.616 -10.322 5.736 1.00 0.00 H new ATOM 0 HB ILE A 22 -17.768 -12.583 7.762 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -16.571 -9.789 7.990 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -18.205 -10.177 8.488 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -15.292 -12.420 7.891 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -15.831 -12.928 6.272 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -15.309 -11.249 6.550 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -16.686 -10.162 10.404 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -17.333 -11.798 10.134 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -15.673 -11.403 9.628 1.00 0.00 H new ATOM 302 N GLY A 23 -18.512 -13.476 5.227 1.00 0.00 N ATOM 303 CA GLY A 23 -18.450 -14.602 4.299 1.00 0.00 C ATOM 304 C GLY A 23 -19.084 -14.231 2.968 1.00 0.00 C ATOM 305 O GLY A 23 -18.547 -14.528 1.902 1.00 0.00 O ATOM 0 H GLY A 23 -19.114 -13.635 6.035 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -17.412 -14.897 4.144 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -18.965 -15.462 4.727 1.00 0.00 H new ATOM 309 N GLY A 24 -20.238 -13.574 3.045 1.00 0.00 N ATOM 310 CA GLY A 24 -20.973 -13.148 1.858 1.00 0.00 C ATOM 311 C GLY A 24 -20.207 -12.062 1.119 1.00 0.00 C ATOM 312 O GLY A 24 -19.933 -12.177 -0.074 1.00 0.00 O ATOM 0 H GLY A 24 -20.687 -13.323 3.926 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -21.135 -14.000 1.198 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -21.956 -12.776 2.146 1.00 0.00 H new ATOM 316 N TYR A 25 -19.866 -11.003 1.847 1.00 0.00 N ATOM 317 CA TYR A 25 -19.128 -9.875 1.285 1.00 0.00 C ATOM 318 C TYR A 25 -17.829 -10.350 0.656 1.00 0.00 C ATOM 319 O TYR A 25 -17.423 -9.873 -0.403 1.00 0.00 O ATOM 320 CB TYR A 25 -18.793 -8.857 2.377 1.00 0.00 C ATOM 321 CG TYR A 25 -18.014 -7.660 1.880 1.00 0.00 C ATOM 322 CD1 TYR A 25 -18.649 -6.631 1.196 1.00 0.00 C ATOM 323 CD2 TYR A 25 -16.645 -7.563 2.096 1.00 0.00 C ATOM 324 CE1 TYR A 25 -17.945 -5.534 0.738 1.00 0.00 C ATOM 325 CE2 TYR A 25 -15.925 -6.473 1.645 1.00 0.00 C ATOM 326 CZ TYR A 25 -16.588 -5.454 0.962 1.00 0.00 C ATOM 327 OH TYR A 25 -15.885 -4.363 0.507 1.00 0.00 O ATOM 0 H TYR A 25 -20.091 -10.902 2.837 1.00 0.00 H new ATOM 0 HA TYR A 25 -19.758 -9.410 0.527 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -19.720 -8.511 2.834 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -18.218 -9.353 3.159 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -19.713 -6.690 1.019 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -16.134 -8.354 2.626 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -18.455 -4.744 0.207 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -14.861 -6.411 1.820 1.00 0.00 H new ATOM 0 HH TYR A 25 -14.940 -4.460 0.747 1.00 0.00 H new ATOM 337 N ILE A 26 -17.179 -11.299 1.324 1.00 0.00 N ATOM 338 CA ILE A 26 -15.917 -11.861 0.852 1.00 0.00 C ATOM 339 C ILE A 26 -16.158 -12.801 -0.318 1.00 0.00 C ATOM 340 O ILE A 26 -15.452 -12.759 -1.324 1.00 0.00 O ATOM 341 CB ILE A 26 -15.204 -12.658 1.961 1.00 0.00 C ATOM 342 CG1 ILE A 26 -14.752 -11.722 3.083 1.00 0.00 C ATOM 343 CG2 ILE A 26 -13.980 -13.368 1.403 1.00 0.00 C ATOM 344 CD1 ILE A 26 -14.265 -12.443 4.321 1.00 0.00 C ATOM 0 H ILE A 26 -17.510 -11.698 2.202 1.00 0.00 H new ATOM 0 HA ILE A 26 -15.291 -11.022 0.547 1.00 0.00 H new ATOM 0 HB ILE A 26 -15.909 -13.391 2.352 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -13.953 -11.081 2.709 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -15.582 -11.070 3.356 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -13.488 -13.926 2.200 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -14.286 -14.055 0.614 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -13.287 -12.632 0.995 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -13.962 -11.713 5.072 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -15.068 -13.063 4.721 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -13.414 -13.074 4.064 1.00 0.00 H new ATOM 356 N VAL A 27 -17.169 -13.653 -0.172 1.00 0.00 N ATOM 357 CA VAL A 27 -17.529 -14.621 -1.205 1.00 0.00 C ATOM 358 C VAL A 27 -18.242 -13.930 -2.356 1.00 0.00 C ATOM 359 O VAL A 27 -18.146 -14.350 -3.508 1.00 0.00 O ATOM 360 CB VAL A 27 -18.466 -15.712 -0.654 1.00 0.00 C ATOM 361 CG1 VAL A 27 -19.858 -15.148 -0.414 1.00 0.00 C ATOM 362 CG2 VAL A 27 -18.578 -16.865 -1.640 1.00 0.00 C ATOM 0 H VAL A 27 -17.758 -13.693 0.659 1.00 0.00 H new ATOM 0 HA VAL A 27 -16.601 -15.078 -1.549 1.00 0.00 H new ATOM 0 HB VAL A 27 -18.044 -16.068 0.286 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -20.506 -15.933 -0.025 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -19.801 -14.333 0.308 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -20.266 -14.773 -1.353 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -19.244 -17.627 -1.235 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -18.979 -16.498 -2.585 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -17.592 -17.297 -1.808 1.00 0.00 H new ATOM 372 N GLY A 28 -18.961 -12.860 -2.028 1.00 0.00 N ATOM 373 CA GLY A 28 -19.705 -12.087 -3.017 1.00 0.00 C ATOM 374 C GLY A 28 -18.759 -11.231 -3.845 1.00 0.00 C ATOM 375 O GLY A 28 -19.070 -10.847 -4.971 1.00 0.00 O ATOM 0 H GLY A 28 -19.044 -12.506 -1.075 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -20.262 -12.760 -3.669 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -20.436 -11.452 -2.516 1.00 0.00 H new ATOM 379 N ALA A 29 -17.596 -10.938 -3.269 1.00 0.00 N ATOM 380 CA ALA A 29 -16.581 -10.126 -3.931 1.00 0.00 C ATOM 381 C ALA A 29 -15.715 -10.990 -4.836 1.00 0.00 C ATOM 382 O ALA A 29 -15.248 -10.545 -5.883 1.00 0.00 O ATOM 383 CB ALA A 29 -15.684 -9.456 -2.902 1.00 0.00 C ATOM 0 H ALA A 29 -17.332 -11.255 -2.336 1.00 0.00 H new ATOM 0 HA ALA A 29 -17.094 -9.369 -4.524 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -14.932 -8.854 -3.412 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -16.286 -8.815 -2.257 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -15.191 -10.218 -2.298 1.00 0.00 H new ATOM 389 N LEU A 30 -15.509 -12.234 -4.415 1.00 0.00 N ATOM 390 CA LEU A 30 -14.701 -13.188 -5.170 1.00 0.00 C ATOM 391 C LEU A 30 -15.230 -13.329 -6.588 1.00 0.00 C ATOM 392 O LEU A 30 -14.476 -13.586 -7.525 1.00 0.00 O ATOM 393 CB LEU A 30 -14.734 -14.564 -4.503 1.00 0.00 C ATOM 394 CG LEU A 30 -13.993 -14.689 -3.170 1.00 0.00 C ATOM 395 CD1 LEU A 30 -14.214 -16.065 -2.559 1.00 0.00 C ATOM 396 CD2 LEU A 30 -12.498 -14.490 -3.364 1.00 0.00 C ATOM 0 H LEU A 30 -15.894 -12.608 -3.548 1.00 0.00 H new ATOM 0 HA LEU A 30 -13.678 -12.812 -5.192 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -15.776 -14.842 -4.343 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -14.314 -15.291 -5.198 1.00 0.00 H new ATOM 0 HG LEU A 30 -14.386 -13.920 -2.506 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -13.679 -16.133 -1.612 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -15.279 -16.219 -2.386 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -13.843 -16.830 -3.241 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -11.991 -14.583 -2.404 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -12.116 -15.246 -4.051 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -12.314 -13.498 -3.777 1.00 0.00 H new ATOM 408 N VAL A 31 -16.540 -13.156 -6.733 1.00 0.00 N ATOM 409 CA VAL A 31 -17.202 -13.257 -8.031 1.00 0.00 C ATOM 410 C VAL A 31 -16.555 -12.316 -9.033 1.00 0.00 C ATOM 411 O VAL A 31 -16.451 -12.624 -10.219 1.00 0.00 O ATOM 412 CB VAL A 31 -18.695 -12.891 -7.933 1.00 0.00 C ATOM 413 CG1 VAL A 31 -19.308 -12.780 -9.321 1.00 0.00 C ATOM 414 CG2 VAL A 31 -19.454 -13.955 -7.156 1.00 0.00 C ATOM 0 H VAL A 31 -17.170 -12.943 -5.960 1.00 0.00 H new ATOM 0 HA VAL A 31 -17.101 -14.292 -8.358 1.00 0.00 H new ATOM 0 HB VAL A 31 -18.769 -11.933 -7.418 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -20.363 -12.521 -9.233 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -18.790 -12.006 -9.887 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -19.211 -13.734 -9.839 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -20.507 -13.680 -7.096 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -19.357 -14.915 -7.664 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -19.042 -14.034 -6.150 1.00 0.00 H new ATOM 424 N ILE A 32 -16.121 -11.160 -8.539 1.00 0.00 N ATOM 425 CA ILE A 32 -15.477 -10.148 -9.372 1.00 0.00 C ATOM 426 C ILE A 32 -14.153 -10.666 -9.910 1.00 0.00 C ATOM 427 O ILE A 32 -13.819 -10.467 -11.077 1.00 0.00 O ATOM 428 CB ILE A 32 -15.194 -8.860 -8.577 1.00 0.00 C ATOM 429 CG1 ILE A 32 -16.505 -8.177 -8.183 1.00 0.00 C ATOM 430 CG2 ILE A 32 -14.377 -7.887 -9.414 1.00 0.00 C ATOM 431 CD1 ILE A 32 -16.331 -7.044 -7.196 1.00 0.00 C ATOM 0 H ILE A 32 -16.205 -10.899 -7.557 1.00 0.00 H new ATOM 0 HA ILE A 32 -16.162 -9.928 -10.190 1.00 0.00 H new ATOM 0 HB ILE A 32 -14.637 -9.136 -7.682 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -16.988 -7.793 -9.081 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -17.176 -8.921 -7.754 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -14.186 -6.982 -8.837 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -13.429 -8.350 -9.688 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -14.930 -7.631 -10.318 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -17.304 -6.610 -6.965 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -15.877 -7.425 -6.281 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -15.686 -6.280 -7.630 1.00 0.00 H new ATOM 443 N LEU A 33 -13.402 -11.335 -9.040 1.00 0.00 N ATOM 444 CA LEU A 33 -12.103 -11.896 -9.401 1.00 0.00 C ATOM 445 C LEU A 33 -12.260 -12.942 -10.492 1.00 0.00 C ATOM 446 O LEU A 33 -11.544 -12.932 -11.492 1.00 0.00 O ATOM 447 CB LEU A 33 -11.449 -12.558 -8.187 1.00 0.00 C ATOM 448 CG LEU A 33 -10.929 -11.616 -7.099 1.00 0.00 C ATOM 449 CD1 LEU A 33 -10.423 -12.405 -5.901 1.00 0.00 C ATOM 450 CD2 LEU A 33 -9.783 -10.766 -7.626 1.00 0.00 C ATOM 0 H LEU A 33 -13.674 -11.503 -8.071 1.00 0.00 H new ATOM 0 HA LEU A 33 -11.476 -11.079 -9.759 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -12.173 -13.236 -7.735 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -10.617 -13.169 -8.537 1.00 0.00 H new ATOM 0 HG LEU A 33 -11.759 -10.976 -6.799 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.058 -11.716 -5.139 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -11.236 -13.003 -5.489 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.612 -13.062 -6.214 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.428 -10.104 -6.836 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.968 -11.414 -7.949 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.130 -10.171 -8.470 1.00 0.00 H new ATOM 462 N ALA A 34 -13.210 -13.849 -10.286 1.00 0.00 N ATOM 463 CA ALA A 34 -13.487 -14.920 -11.240 1.00 0.00 C ATOM 464 C ALA A 34 -13.862 -14.343 -12.595 1.00 0.00 C ATOM 465 O ALA A 34 -13.439 -14.840 -13.638 1.00 0.00 O ATOM 466 CB ALA A 34 -14.639 -15.783 -10.749 1.00 0.00 C ATOM 0 H ALA A 34 -13.807 -13.864 -9.459 1.00 0.00 H new ATOM 0 HA ALA A 34 -12.585 -15.524 -11.333 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -14.833 -16.576 -11.471 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -14.379 -16.224 -9.787 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -15.532 -15.168 -10.637 1.00 0.00 H new ATOM 472 N VAL A 35 -14.665 -13.283 -12.566 1.00 0.00 N ATOM 473 CA VAL A 35 -15.116 -12.613 -13.782 1.00 0.00 C ATOM 474 C VAL A 35 -13.928 -12.178 -14.623 1.00 0.00 C ATOM 475 O VAL A 35 -13.917 -12.342 -15.842 1.00 0.00 O ATOM 476 CB VAL A 35 -15.951 -11.360 -13.459 1.00 0.00 C ATOM 477 CG1 VAL A 35 -16.232 -10.566 -14.726 1.00 0.00 C ATOM 478 CG2 VAL A 35 -17.281 -11.752 -12.834 1.00 0.00 C ATOM 0 H VAL A 35 -15.019 -12.866 -11.705 1.00 0.00 H new ATOM 0 HA VAL A 35 -15.729 -13.329 -14.329 1.00 0.00 H new ATOM 0 HB VAL A 35 -15.378 -10.751 -12.759 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -16.823 -9.684 -14.479 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -15.290 -10.256 -15.178 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -16.785 -11.188 -15.430 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -17.858 -10.854 -12.612 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -17.839 -12.379 -13.529 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -17.101 -12.304 -11.912 1.00 0.00 H new ATOM 488 N ALA A 36 -12.923 -11.621 -13.953 1.00 0.00 N ATOM 489 CA ALA A 36 -11.710 -11.150 -14.615 1.00 0.00 C ATOM 490 C ALA A 36 -10.952 -12.315 -15.229 1.00 0.00 C ATOM 491 O ALA A 36 -10.513 -12.255 -16.377 1.00 0.00 O ATOM 492 CB ALA A 36 -10.798 -10.454 -13.617 1.00 0.00 C ATOM 0 H ALA A 36 -12.926 -11.484 -12.942 1.00 0.00 H new ATOM 0 HA ALA A 36 -12.007 -10.450 -15.397 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -9.898 -10.109 -14.126 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.319 -9.601 -13.182 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -10.523 -11.153 -12.827 1.00 0.00 H new ATOM 498 N GLY A 37 -10.804 -13.381 -14.447 1.00 0.00 N ATOM 499 CA GLY A 37 -10.100 -14.581 -14.888 1.00 0.00 C ATOM 500 C GLY A 37 -10.614 -15.030 -16.247 1.00 0.00 C ATOM 501 O GLY A 37 -9.864 -15.102 -17.219 1.00 0.00 O ATOM 0 H GLY A 37 -11.166 -13.437 -13.495 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -9.030 -14.382 -14.945 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -10.237 -15.379 -14.159 1.00 0.00 H new ATOM 505 N LEU A 38 -11.908 -15.330 -16.301 1.00 0.00 N ATOM 506 CA LEU A 38 -12.556 -15.776 -17.532 1.00 0.00 C ATOM 507 C LEU A 38 -12.436 -14.713 -18.611 1.00 0.00 C ATOM 508 O LEU A 38 -12.218 -15.018 -19.782 1.00 0.00 O ATOM 509 CB LEU A 38 -14.041 -16.051 -17.287 1.00 0.00 C ATOM 510 CG LEU A 38 -14.372 -17.285 -16.445 1.00 0.00 C ATOM 511 CD1 LEU A 38 -15.866 -17.366 -16.174 1.00 0.00 C ATOM 512 CD2 LEU A 38 -13.950 -18.556 -17.167 1.00 0.00 C ATOM 0 H LEU A 38 -12.535 -15.272 -15.498 1.00 0.00 H new ATOM 0 HA LEU A 38 -12.059 -16.691 -17.856 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -14.475 -15.178 -16.800 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -14.534 -16.154 -18.254 1.00 0.00 H new ATOM 0 HG LEU A 38 -13.829 -17.194 -15.504 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -16.080 -18.251 -15.574 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -16.187 -16.475 -15.634 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -16.404 -17.430 -17.120 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -14.194 -19.422 -16.552 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -14.478 -18.626 -18.118 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -12.876 -18.531 -17.349 1.00 0.00 H new ATOM 524 N ILE A 39 -12.582 -13.457 -18.200 1.00 0.00 N ATOM 525 CA ILE A 39 -12.495 -12.321 -19.113 1.00 0.00 C ATOM 526 C ILE A 39 -11.144 -12.299 -19.808 1.00 0.00 C ATOM 527 O ILE A 39 -11.053 -12.084 -21.016 1.00 0.00 O ATOM 528 CB ILE A 39 -12.666 -10.984 -18.368 1.00 0.00 C ATOM 529 CG1 ILE A 39 -14.093 -10.851 -17.831 1.00 0.00 C ATOM 530 CG2 ILE A 39 -12.392 -9.815 -19.302 1.00 0.00 C ATOM 531 CD1 ILE A 39 -15.155 -10.873 -18.909 1.00 0.00 C ATOM 0 H ILE A 39 -12.763 -13.198 -17.230 1.00 0.00 H new ATOM 0 HA ILE A 39 -13.298 -12.438 -19.841 1.00 0.00 H new ATOM 0 HB ILE A 39 -11.956 -10.970 -17.541 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -14.284 -11.662 -17.129 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -14.175 -9.919 -17.271 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -12.517 -8.878 -18.759 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -11.371 -9.882 -19.679 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -13.090 -9.846 -20.138 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -16.140 -10.774 -18.452 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -14.990 -10.045 -19.599 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -15.101 -11.816 -19.454 1.00 0.00 H new ATOM 543 N TYR A 40 -10.092 -12.526 -19.026 1.00 0.00 N ATOM 544 CA TYR A 40 -8.726 -12.538 -19.541 1.00 0.00 C ATOM 545 C TYR A 40 -8.507 -13.741 -20.442 1.00 0.00 C ATOM 546 O TYR A 40 -7.877 -13.642 -21.494 1.00 0.00 O ATOM 547 CB TYR A 40 -7.720 -12.607 -18.390 1.00 0.00 C ATOM 548 CG TYR A 40 -6.276 -12.597 -18.838 1.00 0.00 C ATOM 549 CD1 TYR A 40 -5.660 -11.414 -19.228 1.00 0.00 C ATOM 550 CD2 TYR A 40 -5.532 -13.770 -18.868 1.00 0.00 C ATOM 551 CE1 TYR A 40 -4.341 -11.396 -19.639 1.00 0.00 C ATOM 552 CE2 TYR A 40 -4.212 -13.770 -19.275 1.00 0.00 C ATOM 553 CZ TYR A 40 -3.619 -12.569 -19.662 1.00 0.00 C ATOM 554 OH TYR A 40 -2.305 -12.553 -20.070 1.00 0.00 O ATOM 0 H TYR A 40 -10.161 -12.706 -18.024 1.00 0.00 H new ATOM 0 HA TYR A 40 -8.577 -11.619 -20.108 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -7.889 -11.763 -17.722 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -7.905 -13.513 -17.812 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -6.222 -10.492 -19.210 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -5.994 -14.699 -18.568 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -3.879 -10.468 -19.940 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -3.646 -14.690 -19.293 1.00 0.00 H new ATOM 0 HH TYR A 40 -1.938 -13.461 -20.027 1.00 0.00 H new ATOM 564 N SER A 41 -9.036 -14.885 -20.014 1.00 0.00 N ATOM 565 CA SER A 41 -8.915 -16.130 -20.765 1.00 0.00 C ATOM 566 C SER A 41 -9.540 -15.985 -22.143 1.00 0.00 C ATOM 567 O SER A 41 -8.928 -16.317 -23.157 1.00 0.00 O ATOM 568 CB SER A 41 -9.624 -17.270 -20.031 1.00 0.00 C ATOM 569 OG SER A 41 -8.982 -17.563 -18.802 1.00 0.00 O ATOM 0 H SER A 41 -9.557 -14.974 -19.142 1.00 0.00 H new ATOM 0 HA SER A 41 -7.853 -16.356 -20.862 1.00 0.00 H new ATOM 0 HB2 SER A 41 -10.663 -16.997 -19.846 1.00 0.00 H new ATOM 0 HB3 SER A 41 -9.635 -18.160 -20.660 1.00 0.00 H new ATOM 0 HG SER A 41 -9.180 -16.856 -18.153 1.00 0.00 H new ATOM 575 N MET A 42 -10.771 -15.481 -22.165 1.00 0.00 N ATOM 576 CA MET A 42 -11.508 -15.278 -23.409 1.00 0.00 C ATOM 577 C MET A 42 -10.808 -14.250 -24.282 1.00 0.00 C ATOM 578 O MET A 42 -10.709 -14.409 -25.498 1.00 0.00 O ATOM 579 CB MET A 42 -12.925 -14.779 -23.117 1.00 0.00 C ATOM 580 CG MET A 42 -13.794 -14.620 -24.354 1.00 0.00 C ATOM 581 SD MET A 42 -15.463 -14.062 -23.964 1.00 0.00 S ATOM 582 CE MET A 42 -15.147 -12.370 -23.467 1.00 0.00 C ATOM 0 H MET A 42 -11.283 -15.204 -21.327 1.00 0.00 H new ATOM 0 HA MET A 42 -11.552 -16.235 -23.928 1.00 0.00 H new ATOM 0 HB2 MET A 42 -13.410 -15.475 -22.432 1.00 0.00 H new ATOM 0 HB3 MET A 42 -12.862 -13.819 -22.604 1.00 0.00 H new ATOM 0 HG2 MET A 42 -13.326 -13.907 -25.033 1.00 0.00 H new ATOM 0 HG3 MET A 42 -13.848 -15.573 -24.880 1.00 0.00 H new ATOM 0 HE1 MET A 42 -16.087 -11.819 -23.435 1.00 0.00 H new ATOM 0 HE2 MET A 42 -14.687 -12.361 -22.479 1.00 0.00 H new ATOM 0 HE3 MET A 42 -14.475 -11.900 -24.185 1.00 0.00 H new ATOM 592 N LEU A 43 -10.322 -13.190 -23.643 1.00 0.00 N ATOM 593 CA LEU A 43 -9.622 -12.113 -24.337 1.00 0.00 C ATOM 594 C LEU A 43 -8.221 -12.554 -24.728 1.00 0.00 C ATOM 595 O LEU A 43 -7.738 -12.248 -25.817 1.00 0.00 O ATOM 596 CB LEU A 43 -9.508 -10.881 -23.437 1.00 0.00 C ATOM 597 CG LEU A 43 -10.806 -10.121 -23.160 1.00 0.00 C ATOM 598 CD1 LEU A 43 -10.571 -9.003 -22.156 1.00 0.00 C ATOM 599 CD2 LEU A 43 -11.352 -9.504 -24.439 1.00 0.00 C ATOM 0 H LEU A 43 -10.401 -13.053 -22.635 1.00 0.00 H new ATOM 0 HA LEU A 43 -10.195 -11.866 -25.231 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.084 -11.193 -22.483 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -8.797 -10.190 -23.891 1.00 0.00 H new ATOM 0 HG LEU A 43 -11.523 -10.837 -22.758 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -11.507 -8.475 -21.973 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.204 -9.425 -21.221 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -9.833 -8.306 -22.554 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -12.275 -8.968 -24.219 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.619 -8.810 -24.850 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -11.553 -10.291 -25.166 1.00 0.00 H new ATOM 611 N ARG A 44 -7.573 -13.280 -23.822 1.00 0.00 N ATOM 612 CA ARG A 44 -6.219 -13.780 -24.045 1.00 0.00 C ATOM 613 C ARG A 44 -6.253 -15.059 -24.866 1.00 0.00 C ATOM 614 O ARG A 44 -5.355 -15.328 -25.662 1.00 0.00 O ATOM 615 CB ARG A 44 -5.532 -14.079 -22.711 1.00 0.00 C ATOM 616 CG ARG A 44 -4.083 -14.519 -22.844 1.00 0.00 C ATOM 617 CD ARG A 44 -3.209 -13.392 -23.369 1.00 0.00 C ATOM 618 NE ARG A 44 -1.810 -13.793 -23.488 1.00 0.00 N ATOM 619 CZ ARG A 44 -0.869 -13.060 -24.073 1.00 0.00 C ATOM 620 NH1 ARG A 44 -1.177 -11.881 -24.596 1.00 0.00 N ATOM 621 NH2 ARG A 44 0.378 -13.506 -24.134 1.00 0.00 N ATOM 0 H ARG A 44 -7.968 -13.538 -22.918 1.00 0.00 H new ATOM 0 HA ARG A 44 -5.664 -13.010 -24.582 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.574 -13.188 -22.085 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -6.091 -14.858 -22.193 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -3.711 -14.849 -21.874 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -4.021 -15.374 -23.517 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.578 -13.071 -24.343 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.284 -12.534 -22.701 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.537 -14.695 -23.096 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.136 -11.537 -24.549 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -0.455 -11.318 -25.045 1.00 0.00 H new ATOM 0 HH21 ARG A 44 0.616 -14.413 -23.732 1.00 0.00 H new ATOM 0 HH22 ARG A 44 1.100 -12.943 -24.583 1.00 0.00 H new ATOM 635 N LYS A 45 -7.305 -15.846 -24.660 1.00 0.00 N ATOM 636 CA LYS A 45 -7.485 -17.109 -25.370 1.00 0.00 C ATOM 637 C LYS A 45 -7.884 -16.856 -26.814 1.00 0.00 C ATOM 638 O LYS A 45 -7.340 -17.457 -27.739 1.00 0.00 O ATOM 639 CB LYS A 45 -8.580 -17.946 -24.706 1.00 0.00 C ATOM 640 CG LYS A 45 -8.799 -19.305 -25.350 1.00 0.00 C ATOM 641 CD LYS A 45 -9.858 -20.103 -24.607 1.00 0.00 C ATOM 642 CE LYS A 45 -10.088 -21.457 -25.260 1.00 0.00 C ATOM 643 NZ LYS A 45 -11.115 -22.255 -24.536 1.00 0.00 N ATOM 0 H LYS A 45 -8.052 -15.629 -24.001 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.537 -17.646 -25.337 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.326 -18.090 -23.656 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -9.516 -17.388 -24.733 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.102 -19.173 -26.389 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.861 -19.861 -25.359 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.550 -20.244 -23.571 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -10.793 -19.542 -24.588 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -10.403 -21.313 -26.294 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -9.150 -22.011 -25.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -11.243 -23.171 -25.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -10.804 -22.415 -23.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -12.017 -21.738 -24.532 1.00 0.00 H new ATOM 657 N ALA A 46 -8.846 -15.955 -26.995 1.00 0.00 N ATOM 658 CA ALA A 46 -9.342 -15.599 -28.321 1.00 0.00 C ATOM 659 C ALA A 46 -10.433 -14.544 -28.198 1.00 0.00 C ATOM 660 O ALA A 46 -10.772 -14.123 -27.094 1.00 0.00 O ATOM 661 CB ALA A 46 -9.874 -16.848 -29.017 1.00 0.00 C ATOM 0 H ALA A 46 -9.301 -15.454 -26.232 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.529 -15.185 -28.918 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -10.245 -16.583 -30.007 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -9.072 -17.580 -29.114 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -10.686 -17.275 -28.428 1.00 0.00 H new