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= -0.597 F(o=-3.5,f=-0.76) USER MOD Set 1.2: A 19 MET CE :methyl -166:sc= -0.164 (180deg=-0.328) USER MOD Single : A 1 GLY N :NH3+ -131:sc= 0.155 (180deg=-0.664) USER MOD Single : A 5 THR OG1 : rot -13:sc= 0.267 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 64:sc= 0.913 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 72:sc= 0.303 USER MOD Single : A 42 MET CE :methyl 166:sc= -0.011 (180deg=-0.245) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 26.021 -4.141 71.272 1.00 0.00 N ATOM 2 CA GLY A 1 27.470 -4.123 71.315 1.00 0.00 C ATOM 3 C GLY A 1 28.035 -4.969 70.185 1.00 0.00 C ATOM 4 O GLY A 1 27.290 -5.548 69.398 1.00 0.00 O ATOM 0 H1 GLY A 1 25.660 -3.168 71.336 1.00 0.00 H new ATOM 0 H2 GLY A 1 25.706 -4.570 70.379 1.00 0.00 H new ATOM 0 H3 GLY A 1 25.657 -4.698 72.071 1.00 0.00 H new ATOM 0 HA2 GLY A 1 27.832 -3.098 71.229 1.00 0.00 H new ATOM 0 HA3 GLY A 1 27.818 -4.504 72.275 1.00 0.00 H new ATOM 8 N VAL A 2 29.363 -5.029 70.120 1.00 0.00 N ATOM 9 CA VAL A 2 30.059 -5.798 69.094 1.00 0.00 C ATOM 10 C VAL A 2 29.870 -7.288 69.325 1.00 0.00 C ATOM 11 O VAL A 2 29.612 -8.049 68.393 1.00 0.00 O ATOM 12 CB VAL A 2 31.571 -5.507 69.099 1.00 0.00 C ATOM 13 CG1 VAL A 2 32.299 -6.451 68.154 1.00 0.00 C ATOM 14 CG2 VAL A 2 31.840 -4.078 68.651 1.00 0.00 C ATOM 0 H VAL A 2 29.983 -4.549 70.773 1.00 0.00 H new ATOM 0 HA VAL A 2 29.634 -5.503 68.135 1.00 0.00 H new ATOM 0 HB VAL A 2 31.933 -5.651 70.117 1.00 0.00 H new ATOM 0 HG11 VAL A 2 33.366 -6.231 68.170 1.00 0.00 H new ATOM 0 HG12 VAL A 2 32.136 -7.481 68.472 1.00 0.00 H new ATOM 0 HG13 VAL A 2 31.917 -6.319 67.142 1.00 0.00 H new ATOM 0 HG21 VAL A 2 32.914 -3.890 68.661 1.00 0.00 H new ATOM 0 HG22 VAL A 2 31.455 -3.935 67.641 1.00 0.00 H new ATOM 0 HG23 VAL A 2 31.344 -3.384 69.330 1.00 0.00 H new ATOM 24 N ILE A 3 30.002 -7.696 70.584 1.00 0.00 N ATOM 25 CA ILE A 3 29.850 -9.095 70.971 1.00 0.00 C ATOM 26 C ILE A 3 28.415 -9.552 70.763 1.00 0.00 C ATOM 27 O ILE A 3 28.162 -10.671 70.319 1.00 0.00 O ATOM 28 CB ILE A 3 30.206 -9.312 72.453 1.00 0.00 C ATOM 29 CG1 ILE A 3 31.698 -9.066 72.685 1.00 0.00 C ATOM 30 CG2 ILE A 3 29.881 -10.737 72.876 1.00 0.00 C ATOM 31 CD1 ILE A 3 32.089 -9.016 74.146 1.00 0.00 C ATOM 0 H ILE A 3 30.216 -7.070 71.361 1.00 0.00 H new ATOM 0 HA ILE A 3 30.530 -9.673 70.345 1.00 0.00 H new ATOM 0 HB ILE A 3 29.618 -8.609 73.043 1.00 0.00 H new ATOM 0 HG12 ILE A 3 32.267 -9.854 72.193 1.00 0.00 H new ATOM 0 HG13 ILE A 3 31.980 -8.126 72.211 1.00 0.00 H new ATOM 0 HG21 ILE A 3 30.139 -10.873 73.926 1.00 0.00 H new ATOM 0 HG22 ILE A 3 28.816 -10.924 72.737 1.00 0.00 H new ATOM 0 HG23 ILE A 3 30.455 -11.437 72.268 1.00 0.00 H new ATOM 0 HD11 ILE A 3 33.161 -8.838 74.230 1.00 0.00 H new ATOM 0 HD12 ILE A 3 31.548 -8.209 74.640 1.00 0.00 H new ATOM 0 HD13 ILE A 3 31.840 -9.964 74.622 1.00 0.00 H new ATOM 43 N ASP A 4 27.477 -8.668 71.091 1.00 0.00 N ATOM 44 CA ASP A 4 26.053 -8.954 70.951 1.00 0.00 C ATOM 45 C ASP A 4 25.745 -9.446 69.546 1.00 0.00 C ATOM 46 O ASP A 4 24.954 -10.369 69.355 1.00 0.00 O ATOM 47 CB ASP A 4 25.225 -7.695 71.215 1.00 0.00 C ATOM 48 CG ASP A 4 25.221 -7.296 72.678 1.00 0.00 C ATOM 49 OD1 ASP A 4 24.461 -6.373 73.040 1.00 0.00 O ATOM 50 OD2 ASP A 4 25.977 -7.908 73.462 1.00 0.00 O ATOM 0 H ASP A 4 27.681 -7.739 71.459 1.00 0.00 H new ATOM 0 HA ASP A 4 25.796 -9.725 71.678 1.00 0.00 H new ATOM 0 HB2 ASP A 4 25.621 -6.873 70.619 1.00 0.00 H new ATOM 0 HB3 ASP A 4 24.200 -7.863 70.885 1.00 0.00 H new ATOM 56 N THR A 5 26.382 -8.816 68.563 1.00 0.00 N ATOM 57 CA THR A 5 26.195 -9.169 67.159 1.00 0.00 C ATOM 58 C THR A 5 27.270 -10.144 66.708 1.00 0.00 C ATOM 59 O THR A 5 27.285 -10.590 65.562 1.00 0.00 O ATOM 60 CB THR A 5 26.270 -7.928 66.250 1.00 0.00 C ATOM 61 OG1 THR A 5 27.564 -7.325 66.366 1.00 0.00 O ATOM 62 CG2 THR A 5 25.214 -6.909 66.652 1.00 0.00 C ATOM 0 H THR A 5 27.039 -8.051 68.716 1.00 0.00 H new ATOM 0 HA THR A 5 25.207 -9.623 67.075 1.00 0.00 H new ATOM 0 HB THR A 5 26.093 -8.241 65.221 1.00 0.00 H new ATOM 0 HG1 THR A 5 28.032 -7.701 67.141 1.00 0.00 H new ATOM 0 HG21 THR A 5 25.281 -6.039 65.999 1.00 0.00 H new ATOM 0 HG22 THR A 5 24.224 -7.356 66.560 1.00 0.00 H new ATOM 0 HG23 THR A 5 25.379 -6.602 67.685 1.00 0.00 H new ATOM 70 N SER A 6 28.173 -10.471 67.629 1.00 0.00 N ATOM 71 CA SER A 6 29.269 -11.394 67.353 1.00 0.00 C ATOM 72 C SER A 6 28.748 -12.655 66.681 1.00 0.00 C ATOM 73 O SER A 6 29.140 -12.989 65.564 1.00 0.00 O ATOM 74 CB SER A 6 29.973 -11.794 68.651 1.00 0.00 C ATOM 75 OG SER A 6 31.034 -12.698 68.399 1.00 0.00 O ATOM 0 H SER A 6 28.166 -10.106 68.581 1.00 0.00 H new ATOM 0 HA SER A 6 29.972 -10.886 66.692 1.00 0.00 H new ATOM 0 HB2 SER A 6 30.360 -10.904 69.147 1.00 0.00 H new ATOM 0 HB3 SER A 6 29.255 -12.252 69.331 1.00 0.00 H new ATOM 0 HG SER A 6 31.468 -12.936 69.244 1.00 0.00 H new ATOM 81 N ALA A 7 27.856 -13.351 67.380 1.00 0.00 N ATOM 82 CA ALA A 7 27.260 -14.584 66.874 1.00 0.00 C ATOM 83 C ALA A 7 26.512 -14.321 65.577 1.00 0.00 C ATOM 84 O ALA A 7 26.582 -15.105 64.631 1.00 0.00 O ATOM 85 CB ALA A 7 26.280 -15.154 67.888 1.00 0.00 C ATOM 0 H ALA A 7 27.528 -13.079 68.307 1.00 0.00 H new ATOM 0 HA ALA A 7 28.066 -15.296 66.697 1.00 0.00 H new ATOM 0 HB1 ALA A 7 25.844 -16.073 67.496 1.00 0.00 H new ATOM 0 HB2 ALA A 7 26.804 -15.369 68.819 1.00 0.00 H new ATOM 0 HB3 ALA A 7 25.488 -14.429 68.077 1.00 0.00 H new ATOM 91 N VAL A 8 25.791 -13.204 65.546 1.00 0.00 N ATOM 92 CA VAL A 8 25.016 -12.808 64.374 1.00 0.00 C ATOM 93 C VAL A 8 25.933 -12.560 63.188 1.00 0.00 C ATOM 94 O VAL A 8 25.633 -12.949 62.060 1.00 0.00 O ATOM 95 CB VAL A 8 24.219 -11.516 64.634 1.00 0.00 C ATOM 96 CG1 VAL A 8 23.590 -11.010 63.346 1.00 0.00 C ATOM 97 CG2 VAL A 8 23.110 -11.768 65.644 1.00 0.00 C ATOM 0 H VAL A 8 25.727 -12.551 66.327 1.00 0.00 H new ATOM 0 HA VAL A 8 24.327 -13.625 64.160 1.00 0.00 H new ATOM 0 HB VAL A 8 24.913 -10.771 65.024 1.00 0.00 H new ATOM 0 HG11 VAL A 8 23.031 -10.097 63.549 1.00 0.00 H new ATOM 0 HG12 VAL A 8 24.372 -10.802 62.616 1.00 0.00 H new ATOM 0 HG13 VAL A 8 22.915 -11.768 62.948 1.00 0.00 H new ATOM 0 HG21 VAL A 8 22.557 -10.844 65.816 1.00 0.00 H new ATOM 0 HG22 VAL A 8 22.433 -12.530 65.258 1.00 0.00 H new ATOM 0 HG23 VAL A 8 23.544 -12.111 66.583 1.00 0.00 H new ATOM 107 N GLU A 9 27.059 -11.906 63.458 1.00 0.00 N ATOM 108 CA GLU A 9 28.045 -11.591 62.428 1.00 0.00 C ATOM 109 C GLU A 9 28.511 -12.859 61.731 1.00 0.00 C ATOM 110 O GLU A 9 28.713 -12.880 60.518 1.00 0.00 O ATOM 111 CB GLU A 9 29.264 -10.903 63.046 1.00 0.00 C ATOM 112 CG GLU A 9 30.314 -10.475 62.034 1.00 0.00 C ATOM 113 CD GLU A 9 31.482 -9.753 62.676 1.00 0.00 C ATOM 114 OE1 GLU A 9 31.471 -9.589 63.914 1.00 0.00 O ATOM 115 OE2 GLU A 9 32.409 -9.351 61.942 1.00 0.00 O ATOM 0 H GLU A 9 27.313 -11.581 64.391 1.00 0.00 H new ATOM 0 HA GLU A 9 27.571 -10.926 61.707 1.00 0.00 H new ATOM 0 HB2 GLU A 9 28.931 -10.026 63.601 1.00 0.00 H new ATOM 0 HB3 GLU A 9 29.724 -11.580 63.766 1.00 0.00 H new ATOM 0 HG2 GLU A 9 30.682 -11.354 61.504 1.00 0.00 H new ATOM 0 HG3 GLU A 9 29.853 -9.824 61.291 1.00 0.00 H new ATOM 123 N SER A 10 28.679 -13.918 62.517 1.00 0.00 N ATOM 124 CA SER A 10 29.122 -15.209 62.001 1.00 0.00 C ATOM 125 C SER A 10 27.954 -15.973 61.400 1.00 0.00 C ATOM 126 O SER A 10 28.039 -16.497 60.291 1.00 0.00 O ATOM 127 CB SER A 10 29.726 -16.056 63.123 1.00 0.00 C ATOM 128 OG SER A 10 30.893 -15.447 63.649 1.00 0.00 O ATOM 0 H SER A 10 28.513 -13.906 63.523 1.00 0.00 H new ATOM 0 HA SER A 10 29.873 -15.019 61.234 1.00 0.00 H new ATOM 0 HB2 SER A 10 28.992 -16.190 63.918 1.00 0.00 H new ATOM 0 HB3 SER A 10 29.969 -17.048 62.743 1.00 0.00 H new ATOM 0 HG SER A 10 31.259 -16.006 64.365 1.00 0.00 H new ATOM 134 N ALA A 11 26.856 -16.027 62.151 1.00 0.00 N ATOM 135 CA ALA A 11 25.648 -16.722 61.716 1.00 0.00 C ATOM 136 C ALA A 11 25.029 -16.018 60.520 1.00 0.00 C ATOM 137 O ALA A 11 24.537 -16.655 59.591 1.00 0.00 O ATOM 138 CB ALA A 11 24.622 -16.756 62.839 1.00 0.00 C ATOM 0 H ALA A 11 26.779 -15.594 63.071 1.00 0.00 H new ATOM 0 HA ALA A 11 25.930 -17.738 61.440 1.00 0.00 H new ATOM 0 HB1 ALA A 11 23.727 -17.277 62.499 1.00 0.00 H new ATOM 0 HB2 ALA A 11 25.041 -17.278 63.699 1.00 0.00 H new ATOM 0 HB3 ALA A 11 24.361 -15.737 63.125 1.00 0.00 H new ATOM 144 N ILE A 12 25.061 -14.689 60.556 1.00 0.00 N ATOM 145 CA ILE A 12 24.510 -13.865 59.485 1.00 0.00 C ATOM 146 C ILE A 12 25.323 -14.033 58.212 1.00 0.00 C ATOM 147 O ILE A 12 24.774 -14.203 57.124 1.00 0.00 O ATOM 148 CB ILE A 12 24.521 -12.371 59.860 1.00 0.00 C ATOM 149 CG1 ILE A 12 23.554 -12.104 61.015 1.00 0.00 C ATOM 150 CG2 ILE A 12 24.098 -11.521 58.671 1.00 0.00 C ATOM 151 CD1 ILE A 12 22.115 -12.450 60.700 1.00 0.00 C ATOM 0 H ILE A 12 25.467 -14.155 61.324 1.00 0.00 H new ATOM 0 HA ILE A 12 23.483 -14.194 59.329 1.00 0.00 H new ATOM 0 HB ILE A 12 25.536 -12.109 60.159 1.00 0.00 H new ATOM 0 HG12 ILE A 12 23.874 -12.678 61.884 1.00 0.00 H new ATOM 0 HG13 ILE A 12 23.613 -11.051 61.290 1.00 0.00 H new ATOM 0 HG21 ILE A 12 24.111 -10.468 58.953 1.00 0.00 H new ATOM 0 HG22 ILE A 12 24.789 -11.684 57.844 1.00 0.00 H new ATOM 0 HG23 ILE A 12 23.091 -11.801 58.363 1.00 0.00 H new ATOM 0 HD11 ILE A 12 21.491 -12.233 61.567 1.00 0.00 H new ATOM 0 HD12 ILE A 12 21.776 -11.857 59.851 1.00 0.00 H new ATOM 0 HD13 ILE A 12 22.041 -13.510 60.455 1.00 0.00 H new ATOM 163 N THR A 13 26.644 -13.983 58.363 1.00 0.00 N ATOM 164 CA THR A 13 27.564 -14.127 57.238 1.00 0.00 C ATOM 165 C THR A 13 27.450 -15.517 56.632 1.00 0.00 C ATOM 166 O THR A 13 27.446 -15.681 55.413 1.00 0.00 O ATOM 167 CB THR A 13 29.026 -13.919 57.674 1.00 0.00 C ATOM 168 OG1 THR A 13 29.192 -12.589 58.182 1.00 0.00 O ATOM 169 CG2 THR A 13 29.967 -14.117 56.496 1.00 0.00 C ATOM 0 H THR A 13 27.105 -13.843 59.262 1.00 0.00 H new ATOM 0 HA THR A 13 27.291 -13.367 56.506 1.00 0.00 H new ATOM 0 HB THR A 13 29.263 -14.649 58.449 1.00 0.00 H new ATOM 0 HG1 THR A 13 28.647 -12.477 58.989 1.00 0.00 H new ATOM 0 HG21 THR A 13 30.996 -13.966 56.823 1.00 0.00 H new ATOM 0 HG22 THR A 13 29.855 -15.129 56.107 1.00 0.00 H new ATOM 0 HG23 THR A 13 29.726 -13.398 55.713 1.00 0.00 H new ATOM 177 N ASP A 14 27.358 -16.519 57.503 1.00 0.00 N ATOM 178 CA ASP A 14 27.244 -17.911 57.081 1.00 0.00 C ATOM 179 C ASP A 14 25.898 -18.157 56.420 1.00 0.00 C ATOM 180 O ASP A 14 25.819 -18.718 55.328 1.00 0.00 O ATOM 181 CB ASP A 14 27.371 -18.848 58.284 1.00 0.00 C ATOM 182 CG ASP A 14 28.783 -18.901 58.834 1.00 0.00 C ATOM 183 OD1 ASP A 14 29.040 -19.734 59.729 1.00 0.00 O ATOM 184 OD2 ASP A 14 29.631 -18.111 58.371 1.00 0.00 O ATOM 0 H ASP A 14 27.360 -16.390 58.515 1.00 0.00 H new ATOM 0 HA ASP A 14 28.047 -18.110 56.371 1.00 0.00 H new ATOM 0 HB2 ASP A 14 26.691 -18.519 59.070 1.00 0.00 H new ATOM 0 HB3 ASP A 14 27.060 -19.851 57.993 1.00 0.00 H new ATOM 190 N GLY A 15 24.837 -17.729 57.098 1.00 0.00 N ATOM 191 CA GLY A 15 23.475 -17.890 56.598 1.00 0.00 C ATOM 192 C GLY A 15 23.130 -16.776 55.623 1.00 0.00 C ATOM 193 O GLY A 15 22.959 -17.008 54.427 1.00 0.00 O ATOM 0 H GLY A 15 24.896 -17.264 58.004 1.00 0.00 H new ATOM 0 HA2 GLY A 15 23.374 -18.857 56.105 1.00 0.00 H new ATOM 0 HA3 GLY A 15 22.772 -17.882 57.431 1.00 0.00 H new ATOM 197 N GLN A 16 23.029 -15.560 56.152 1.00 0.00 N ATOM 198 CA GLN A 16 22.705 -14.385 55.350 1.00 0.00 C ATOM 199 C GLN A 16 23.583 -14.328 54.110 1.00 0.00 C ATOM 200 O GLN A 16 23.091 -14.243 52.986 1.00 0.00 O ATOM 201 CB GLN A 16 22.928 -13.106 56.159 1.00 0.00 C ATOM 202 CG GLN A 16 22.573 -11.830 55.414 1.00 0.00 C ATOM 203 CD GLN A 16 21.095 -11.739 55.086 1.00 0.00 C ATOM 204 OE1 GLN A 16 20.784 -11.551 53.808 1.00 0.00 O flip ATOM 205 NE2 GLN A 16 20.246 -11.836 55.972 1.00 0.00 N flip ATOM 0 H GLN A 16 23.169 -15.362 57.143 1.00 0.00 H new ATOM 0 HA GLN A 16 21.657 -14.461 55.059 1.00 0.00 H new ATOM 0 HB2 GLN A 16 22.334 -13.158 57.072 1.00 0.00 H new ATOM 0 HB3 GLN A 16 23.974 -13.058 56.462 1.00 0.00 H new ATOM 0 HG2 GLN A 16 22.861 -10.969 56.017 1.00 0.00 H new ATOM 0 HG3 GLN A 16 23.150 -11.780 54.491 1.00 0.00 H new ATOM 0 HE21 GLN A 16 20.533 -11.980 56.940 1.00 0.00 H new ATOM 0 HE22 GLN A 16 19.255 -11.772 55.738 1.00 0.00 H new ATOM 214 N GLY A 17 24.893 -14.375 54.332 1.00 0.00 N ATOM 215 CA GLY A 17 25.870 -14.330 53.247 1.00 0.00 C ATOM 216 C GLY A 17 25.533 -15.365 52.185 1.00 0.00 C ATOM 217 O GLY A 17 25.527 -15.071 50.991 1.00 0.00 O ATOM 0 H GLY A 17 25.306 -14.445 55.262 1.00 0.00 H new ATOM 0 HA2 GLY A 17 25.883 -13.335 52.802 1.00 0.00 H new ATOM 0 HA3 GLY A 17 26.869 -14.516 53.641 1.00 0.00 H new ATOM 221 N ASP A 18 25.253 -16.583 52.638 1.00 0.00 N ATOM 222 CA ASP A 18 24.910 -17.687 51.746 1.00 0.00 C ATOM 223 C ASP A 18 23.728 -17.313 50.867 1.00 0.00 C ATOM 224 O ASP A 18 23.438 -17.979 49.874 1.00 0.00 O ATOM 225 CB ASP A 18 24.538 -18.932 52.553 1.00 0.00 C ATOM 226 CG ASP A 18 25.733 -19.555 53.247 1.00 0.00 C ATOM 227 OD1 ASP A 18 25.805 -20.801 53.302 1.00 0.00 O ATOM 228 OD2 ASP A 18 26.597 -18.798 53.736 1.00 0.00 O ATOM 0 H ASP A 18 25.257 -16.832 53.627 1.00 0.00 H new ATOM 0 HA ASP A 18 25.781 -17.896 51.125 1.00 0.00 H new ATOM 0 HB2 ASP A 18 23.787 -18.667 53.298 1.00 0.00 H new ATOM 0 HB3 ASP A 18 24.083 -19.668 51.890 1.00 0.00 H new ATOM 234 N MET A 19 23.047 -16.236 51.246 1.00 0.00 N ATOM 235 CA MET A 19 21.886 -15.747 50.509 1.00 0.00 C ATOM 236 C MET A 19 22.293 -15.286 49.119 1.00 0.00 C ATOM 237 O MET A 19 21.611 -15.560 48.133 1.00 0.00 O ATOM 238 CB MET A 19 21.245 -14.567 51.241 1.00 0.00 C ATOM 239 CG MET A 19 19.976 -14.045 50.587 1.00 0.00 C ATOM 240 SD MET A 19 19.244 -12.665 51.488 1.00 0.00 S ATOM 241 CE MET A 19 18.665 -13.495 52.966 1.00 0.00 C ATOM 0 H MET A 19 23.282 -15.680 52.068 1.00 0.00 H new ATOM 0 HA MET A 19 21.172 -16.567 50.432 1.00 0.00 H new ATOM 0 HB2 MET A 19 21.016 -14.869 52.263 1.00 0.00 H new ATOM 0 HB3 MET A 19 21.969 -13.755 51.303 1.00 0.00 H new ATOM 0 HG2 MET A 19 20.201 -13.730 49.568 1.00 0.00 H new ATOM 0 HG3 MET A 19 19.249 -14.854 50.517 1.00 0.00 H new ATOM 0 HE1 MET A 19 17.979 -12.842 53.505 1.00 0.00 H new ATOM 0 HE2 MET A 19 18.149 -14.414 52.689 1.00 0.00 H new ATOM 0 HE3 MET A 19 19.515 -13.735 53.605 1.00 0.00 H new ATOM 251 N LYS A 20 23.419 -14.581 49.054 1.00 0.00 N ATOM 252 CA LYS A 20 23.945 -14.066 47.793 1.00 0.00 C ATOM 253 C LYS A 20 24.177 -15.203 46.810 1.00 0.00 C ATOM 254 O LYS A 20 23.877 -15.088 45.623 1.00 0.00 O ATOM 255 CB LYS A 20 25.275 -13.345 48.022 1.00 0.00 C ATOM 256 CG LYS A 20 25.866 -12.721 46.768 1.00 0.00 C ATOM 257 CD LYS A 20 27.154 -11.975 47.078 1.00 0.00 C ATOM 258 CE LYS A 20 27.753 -11.363 45.822 1.00 0.00 C ATOM 259 NZ LYS A 20 29.010 -10.619 46.111 1.00 0.00 N ATOM 0 H LYS A 20 23.989 -14.352 49.868 1.00 0.00 H new ATOM 0 HA LYS A 20 23.212 -13.369 47.387 1.00 0.00 H new ATOM 0 HB2 LYS A 20 25.129 -12.565 48.769 1.00 0.00 H new ATOM 0 HB3 LYS A 20 25.993 -14.053 48.436 1.00 0.00 H new ATOM 0 HG2 LYS A 20 26.062 -13.499 46.030 1.00 0.00 H new ATOM 0 HG3 LYS A 20 25.144 -12.036 46.325 1.00 0.00 H new ATOM 0 HD2 LYS A 20 26.956 -11.191 47.809 1.00 0.00 H new ATOM 0 HD3 LYS A 20 27.873 -12.658 47.531 1.00 0.00 H new ATOM 0 HE2 LYS A 20 27.956 -12.150 45.096 1.00 0.00 H new ATOM 0 HE3 LYS A 20 27.029 -10.688 45.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 29.386 -10.217 45.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 28.812 -9.851 46.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 29.711 -11.268 46.522 1.00 0.00 H new ATOM 273 N ALA A 21 24.717 -16.305 47.323 1.00 0.00 N ATOM 274 CA ALA A 21 25.003 -17.485 46.511 1.00 0.00 C ATOM 275 C ALA A 21 23.711 -18.141 46.053 1.00 0.00 C ATOM 276 O ALA A 21 23.586 -18.570 44.907 1.00 0.00 O ATOM 277 CB ALA A 21 25.801 -18.501 47.314 1.00 0.00 C ATOM 0 H ALA A 21 24.967 -16.406 48.307 1.00 0.00 H new ATOM 0 HA ALA A 21 25.580 -17.162 45.645 1.00 0.00 H new ATOM 0 HB1 ALA A 21 26.006 -19.374 46.695 1.00 0.00 H new ATOM 0 HB2 ALA A 21 26.742 -18.054 47.634 1.00 0.00 H new ATOM 0 HB3 ALA A 21 25.227 -18.804 48.190 1.00 0.00 H new ATOM 283 N ILE A 22 22.747 -18.214 46.968 1.00 0.00 N ATOM 284 CA ILE A 22 21.448 -18.817 46.685 1.00 0.00 C ATOM 285 C ILE A 22 20.711 -18.017 45.623 1.00 0.00 C ATOM 286 O ILE A 22 20.206 -18.569 44.647 1.00 0.00 O ATOM 287 CB ILE A 22 20.561 -18.864 47.943 1.00 0.00 C ATOM 288 CG1 ILE A 22 21.147 -19.834 48.972 1.00 0.00 C ATOM 289 CG2 ILE A 22 19.157 -19.328 47.588 1.00 0.00 C ATOM 290 CD1 ILE A 22 20.481 -19.760 50.329 1.00 0.00 C ATOM 0 H ILE A 22 22.843 -17.859 47.920 1.00 0.00 H new ATOM 0 HA ILE A 22 21.639 -19.832 46.336 1.00 0.00 H new ATOM 0 HB ILE A 22 20.522 -17.858 48.362 1.00 0.00 H new ATOM 0 HG12 ILE A 22 21.060 -20.851 48.590 1.00 0.00 H new ATOM 0 HG13 ILE A 22 22.211 -19.627 49.088 1.00 0.00 H new ATOM 0 HG21 ILE A 22 18.544 -19.355 48.489 1.00 0.00 H new ATOM 0 HG22 ILE A 22 18.716 -18.637 46.870 1.00 0.00 H new ATOM 0 HG23 ILE A 22 19.203 -20.325 47.150 1.00 0.00 H new ATOM 0 HD11 ILE A 22 20.950 -20.476 51.004 1.00 0.00 H new ATOM 0 HD12 ILE A 22 20.591 -18.754 50.734 1.00 0.00 H new ATOM 0 HD13 ILE A 22 19.422 -19.997 50.228 1.00 0.00 H new ATOM 302 N GLY A 23 20.655 -16.704 45.827 1.00 0.00 N ATOM 303 CA GLY A 23 19.984 -15.798 44.899 1.00 0.00 C ATOM 304 C GLY A 23 20.718 -15.759 43.568 1.00 0.00 C ATOM 305 O GLY A 23 20.106 -15.806 42.502 1.00 0.00 O ATOM 0 H GLY A 23 21.070 -16.240 46.635 1.00 0.00 H new ATOM 0 HA2 GLY A 23 18.955 -16.123 44.744 1.00 0.00 H new ATOM 0 HA3 GLY A 23 19.941 -14.796 45.327 1.00 0.00 H new ATOM 309 N GLY A 24 22.043 -15.674 43.645 1.00 0.00 N ATOM 310 CA GLY A 24 22.891 -15.626 42.458 1.00 0.00 C ATOM 311 C GLY A 24 22.848 -16.954 41.719 1.00 0.00 C ATOM 312 O GLY A 24 22.555 -17.009 40.526 1.00 0.00 O ATOM 0 H GLY A 24 22.556 -15.637 44.526 1.00 0.00 H new ATOM 0 HA2 GLY A 24 22.558 -14.825 41.798 1.00 0.00 H new ATOM 0 HA3 GLY A 24 23.917 -15.396 42.746 1.00 0.00 H new ATOM 316 N TYR A 25 23.144 -18.027 42.447 1.00 0.00 N ATOM 317 CA TYR A 25 23.148 -19.374 41.885 1.00 0.00 C ATOM 318 C TYR A 25 21.801 -19.692 41.256 1.00 0.00 C ATOM 319 O TYR A 25 21.725 -20.313 40.197 1.00 0.00 O ATOM 320 CB TYR A 25 23.429 -20.409 42.976 1.00 0.00 C ATOM 321 CG TYR A 25 23.436 -21.837 42.479 1.00 0.00 C ATOM 322 CD1 TYR A 25 24.533 -22.346 41.795 1.00 0.00 C ATOM 323 CD2 TYR A 25 22.347 -22.671 42.695 1.00 0.00 C ATOM 324 CE1 TYR A 25 24.548 -23.650 41.336 1.00 0.00 C ATOM 325 CE2 TYR A 25 22.345 -23.977 42.244 1.00 0.00 C ATOM 326 CZ TYR A 25 23.458 -24.463 41.560 1.00 0.00 C ATOM 327 OH TYR A 25 23.471 -25.761 41.105 1.00 0.00 O ATOM 0 H TYR A 25 23.386 -17.988 43.437 1.00 0.00 H new ATOM 0 HA TYR A 25 23.930 -19.415 41.126 1.00 0.00 H new ATOM 0 HB2 TYR A 25 24.394 -20.189 43.432 1.00 0.00 H new ATOM 0 HB3 TYR A 25 22.677 -20.311 43.759 1.00 0.00 H new ATOM 0 HD1 TYR A 25 25.389 -21.712 41.619 1.00 0.00 H new ATOM 0 HD2 TYR A 25 21.486 -22.292 43.225 1.00 0.00 H new ATOM 0 HE1 TYR A 25 25.409 -24.029 40.805 1.00 0.00 H new ATOM 0 HE2 TYR A 25 21.491 -24.614 42.419 1.00 0.00 H new ATOM 0 HH TYR A 25 22.628 -26.200 41.345 1.00 0.00 H new ATOM 337 N ILE A 26 20.737 -19.255 41.924 1.00 0.00 N ATOM 338 CA ILE A 26 19.374 -19.479 41.452 1.00 0.00 C ATOM 339 C ILE A 26 19.059 -18.562 40.282 1.00 0.00 C ATOM 340 O ILE A 26 18.492 -18.985 39.276 1.00 0.00 O ATOM 341 CB ILE A 26 18.341 -19.205 42.560 1.00 0.00 C ATOM 342 CG1 ILE A 26 18.477 -20.235 43.683 1.00 0.00 C ATOM 343 CG2 ILE A 26 16.928 -19.284 42.003 1.00 0.00 C ATOM 344 CD1 ILE A 26 17.674 -19.899 44.921 1.00 0.00 C ATOM 0 H ILE A 26 20.794 -18.739 42.802 1.00 0.00 H new ATOM 0 HA ILE A 26 19.312 -20.524 41.147 1.00 0.00 H new ATOM 0 HB ILE A 26 18.528 -18.204 42.950 1.00 0.00 H new ATOM 0 HG12 ILE A 26 18.161 -21.209 43.310 1.00 0.00 H new ATOM 0 HG13 ILE A 26 19.528 -20.324 43.956 1.00 0.00 H new ATOM 0 HG21 ILE A 26 16.211 -19.088 42.800 1.00 0.00 H new ATOM 0 HG22 ILE A 26 16.806 -18.542 41.214 1.00 0.00 H new ATOM 0 HG23 ILE A 26 16.753 -20.279 41.595 1.00 0.00 H new ATOM 0 HD11 ILE A 26 17.821 -20.675 45.672 1.00 0.00 H new ATOM 0 HD12 ILE A 26 18.005 -18.940 45.320 1.00 0.00 H new ATOM 0 HD13 ILE A 26 16.616 -19.839 44.664 1.00 0.00 H new ATOM 356 N VAL A 27 19.435 -17.295 40.428 1.00 0.00 N ATOM 357 CA VAL A 27 19.204 -16.288 39.395 1.00 0.00 C ATOM 358 C VAL A 27 20.180 -16.474 38.244 1.00 0.00 C ATOM 359 O VAL A 27 19.869 -16.175 37.092 1.00 0.00 O ATOM 360 CB VAL A 27 19.387 -14.862 39.946 1.00 0.00 C ATOM 361 CG1 VAL A 27 20.860 -14.569 40.187 1.00 0.00 C ATOM 362 CG2 VAL A 27 18.848 -13.836 38.960 1.00 0.00 C ATOM 0 H VAL A 27 19.905 -16.938 41.260 1.00 0.00 H new ATOM 0 HA VAL A 27 18.178 -16.416 39.051 1.00 0.00 H new ATOM 0 HB VAL A 27 18.838 -14.796 40.885 1.00 0.00 H new ATOM 0 HG11 VAL A 27 20.971 -13.557 40.576 1.00 0.00 H new ATOM 0 HG12 VAL A 27 21.259 -15.281 40.909 1.00 0.00 H new ATOM 0 HG13 VAL A 27 21.407 -14.659 39.248 1.00 0.00 H new ATOM 0 HG21 VAL A 27 18.986 -12.834 39.366 1.00 0.00 H new ATOM 0 HG22 VAL A 27 19.385 -13.922 38.015 1.00 0.00 H new ATOM 0 HG23 VAL A 27 17.786 -14.016 38.791 1.00 0.00 H new ATOM 372 N GLY A 28 21.368 -16.972 38.572 1.00 0.00 N ATOM 373 CA GLY A 28 22.415 -17.210 37.583 1.00 0.00 C ATOM 374 C GLY A 28 22.095 -18.444 36.755 1.00 0.00 C ATOM 375 O GLY A 28 22.565 -18.594 35.629 1.00 0.00 O ATOM 0 H GLY A 28 21.632 -17.221 39.525 1.00 0.00 H new ATOM 0 HA2 GLY A 28 22.511 -16.342 36.931 1.00 0.00 H new ATOM 0 HA3 GLY A 28 23.374 -17.340 38.084 1.00 0.00 H new ATOM 379 N ALA A 29 21.284 -19.328 37.331 1.00 0.00 N ATOM 380 CA ALA A 29 20.882 -20.564 36.669 1.00 0.00 C ATOM 381 C ALA A 29 19.684 -20.318 35.764 1.00 0.00 C ATOM 382 O ALA A 29 19.538 -20.947 34.717 1.00 0.00 O ATOM 383 CB ALA A 29 20.501 -21.617 37.698 1.00 0.00 C ATOM 0 H ALA A 29 20.890 -19.208 38.264 1.00 0.00 H new ATOM 0 HA ALA A 29 21.726 -20.915 36.076 1.00 0.00 H new ATOM 0 HB1 ALA A 29 20.203 -22.533 37.188 1.00 0.00 H new ATOM 0 HB2 ALA A 29 21.356 -21.822 38.343 1.00 0.00 H new ATOM 0 HB3 ALA A 29 19.670 -21.252 38.302 1.00 0.00 H new ATOM 389 N LEU A 30 18.828 -19.392 36.185 1.00 0.00 N ATOM 390 CA LEU A 30 17.629 -19.039 35.430 1.00 0.00 C ATOM 391 C LEU A 30 17.993 -18.631 34.012 1.00 0.00 C ATOM 392 O LEU A 30 17.222 -18.831 33.075 1.00 0.00 O ATOM 393 CB LEU A 30 16.900 -17.871 36.097 1.00 0.00 C ATOM 394 CG LEU A 30 16.213 -18.173 37.430 1.00 0.00 C ATOM 395 CD1 LEU A 30 15.642 -16.902 38.040 1.00 0.00 C ATOM 396 CD2 LEU A 30 15.073 -19.161 37.236 1.00 0.00 C ATOM 0 H LEU A 30 18.944 -18.868 37.053 1.00 0.00 H new ATOM 0 HA LEU A 30 16.981 -19.915 35.408 1.00 0.00 H new ATOM 0 HB2 LEU A 30 17.618 -17.066 36.257 1.00 0.00 H new ATOM 0 HB3 LEU A 30 16.149 -17.495 35.402 1.00 0.00 H new ATOM 0 HG LEU A 30 16.964 -18.599 38.095 1.00 0.00 H new ATOM 0 HD11 LEU A 30 15.158 -17.139 38.987 1.00 0.00 H new ATOM 0 HD12 LEU A 30 16.447 -16.188 38.213 1.00 0.00 H new ATOM 0 HD13 LEU A 30 14.911 -16.467 37.358 1.00 0.00 H new ATOM 0 HD21 LEU A 30 14.598 -19.362 38.196 1.00 0.00 H new ATOM 0 HD22 LEU A 30 14.339 -18.739 36.549 1.00 0.00 H new ATOM 0 HD23 LEU A 30 15.464 -20.091 36.823 1.00 0.00 H new ATOM 408 N VAL A 31 19.183 -18.055 33.867 1.00 0.00 N ATOM 409 CA VAL A 31 19.680 -17.607 32.569 1.00 0.00 C ATOM 410 C VAL A 31 19.657 -18.749 31.567 1.00 0.00 C ATOM 411 O VAL A 31 19.400 -18.549 30.381 1.00 0.00 O ATOM 412 CB VAL A 31 21.128 -17.092 32.666 1.00 0.00 C ATOM 413 CG1 VAL A 31 21.701 -16.848 31.279 1.00 0.00 C ATOM 414 CG2 VAL A 31 21.178 -15.785 33.444 1.00 0.00 C ATOM 0 H VAL A 31 19.827 -17.886 34.640 1.00 0.00 H new ATOM 0 HA VAL A 31 19.027 -16.798 32.242 1.00 0.00 H new ATOM 0 HB VAL A 31 21.716 -17.852 33.181 1.00 0.00 H new ATOM 0 HG11 VAL A 31 22.725 -16.484 31.367 1.00 0.00 H new ATOM 0 HG12 VAL A 31 21.694 -17.780 30.713 1.00 0.00 H new ATOM 0 HG13 VAL A 31 21.095 -16.105 30.761 1.00 0.00 H new ATOM 0 HG21 VAL A 31 22.209 -15.436 33.503 1.00 0.00 H new ATOM 0 HG22 VAL A 31 20.569 -15.036 32.937 1.00 0.00 H new ATOM 0 HG23 VAL A 31 20.792 -15.946 34.450 1.00 0.00 H new ATOM 424 N ILE A 32 19.930 -19.953 32.061 1.00 0.00 N ATOM 425 CA ILE A 32 19.948 -21.153 31.228 1.00 0.00 C ATOM 426 C ILE A 32 18.557 -21.448 30.690 1.00 0.00 C ATOM 427 O ILE A 32 18.387 -21.797 29.523 1.00 0.00 O ATOM 428 CB ILE A 32 20.419 -22.385 32.023 1.00 0.00 C ATOM 429 CG1 ILE A 32 21.890 -22.234 32.417 1.00 0.00 C ATOM 430 CG2 ILE A 32 20.271 -23.647 31.187 1.00 0.00 C ATOM 431 CD1 ILE A 32 22.367 -23.276 33.405 1.00 0.00 C ATOM 0 H ILE A 32 20.144 -20.125 33.043 1.00 0.00 H new ATOM 0 HA ILE A 32 20.642 -20.960 30.410 1.00 0.00 H new ATOM 0 HB ILE A 32 19.801 -22.461 32.918 1.00 0.00 H new ATOM 0 HG12 ILE A 32 22.505 -22.290 31.519 1.00 0.00 H new ATOM 0 HG13 ILE A 32 22.042 -21.244 32.846 1.00 0.00 H new ATOM 0 HG21 ILE A 32 20.609 -24.508 31.764 1.00 0.00 H new ATOM 0 HG22 ILE A 32 19.225 -23.781 30.913 1.00 0.00 H new ATOM 0 HG23 ILE A 32 20.874 -23.558 30.283 1.00 0.00 H new ATOM 0 HD11 ILE A 32 23.418 -23.104 33.636 1.00 0.00 H new ATOM 0 HD12 ILE A 32 21.778 -23.206 34.320 1.00 0.00 H new ATOM 0 HD13 ILE A 32 22.248 -24.269 32.972 1.00 0.00 H new ATOM 443 N LEU A 33 17.562 -21.301 31.560 1.00 0.00 N ATOM 444 CA LEU A 33 16.168 -21.547 31.199 1.00 0.00 C ATOM 445 C LEU A 33 15.724 -20.586 30.108 1.00 0.00 C ATOM 446 O LEU A 33 15.132 -20.988 29.108 1.00 0.00 O ATOM 447 CB LEU A 33 15.258 -21.354 32.414 1.00 0.00 C ATOM 448 CG LEU A 33 15.342 -22.427 33.501 1.00 0.00 C ATOM 449 CD1 LEU A 33 14.486 -22.047 34.699 1.00 0.00 C ATOM 450 CD2 LEU A 33 14.852 -23.767 32.973 1.00 0.00 C ATOM 0 H LEU A 33 17.697 -21.010 32.528 1.00 0.00 H new ATOM 0 HA LEU A 33 16.093 -22.574 30.841 1.00 0.00 H new ATOM 0 HB2 LEU A 33 15.491 -20.390 32.866 1.00 0.00 H new ATOM 0 HB3 LEU A 33 14.227 -21.301 32.064 1.00 0.00 H new ATOM 0 HG LEU A 33 16.387 -22.505 33.801 1.00 0.00 H new ATOM 0 HD11 LEU A 33 14.560 -22.824 35.460 1.00 0.00 H new ATOM 0 HD12 LEU A 33 14.836 -21.101 35.111 1.00 0.00 H new ATOM 0 HD13 LEU A 33 13.447 -21.944 34.386 1.00 0.00 H new ATOM 0 HD21 LEU A 33 14.920 -24.516 33.762 1.00 0.00 H new ATOM 0 HD22 LEU A 33 13.815 -23.674 32.650 1.00 0.00 H new ATOM 0 HD23 LEU A 33 15.469 -24.073 32.128 1.00 0.00 H new ATOM 462 N ALA A 34 16.020 -19.306 30.314 1.00 0.00 N ATOM 463 CA ALA A 34 15.662 -18.259 29.360 1.00 0.00 C ATOM 464 C ALA A 34 16.293 -18.535 28.005 1.00 0.00 C ATOM 465 O ALA A 34 15.667 -18.353 26.962 1.00 0.00 O ATOM 466 CB ALA A 34 16.149 -16.905 29.852 1.00 0.00 C ATOM 0 H ALA A 34 16.511 -18.966 31.141 1.00 0.00 H new ATOM 0 HA ALA A 34 14.576 -18.250 29.266 1.00 0.00 H new ATOM 0 HB1 ALA A 34 15.875 -16.135 29.130 1.00 0.00 H new ATOM 0 HB2 ALA A 34 15.689 -16.681 30.814 1.00 0.00 H new ATOM 0 HB3 ALA A 34 17.233 -16.927 29.964 1.00 0.00 H new ATOM 472 N VAL A 35 17.546 -18.980 28.034 1.00 0.00 N ATOM 473 CA VAL A 35 18.292 -19.292 26.818 1.00 0.00 C ATOM 474 C VAL A 35 17.537 -20.308 25.977 1.00 0.00 C ATOM 475 O VAL A 35 17.439 -20.177 24.758 1.00 0.00 O ATOM 476 CB VAL A 35 19.678 -19.881 27.141 1.00 0.00 C ATOM 477 CG1 VAL A 35 20.349 -20.390 25.875 1.00 0.00 C ATOM 478 CG2 VAL A 35 20.573 -18.823 27.768 1.00 0.00 C ATOM 0 H VAL A 35 18.071 -19.134 28.895 1.00 0.00 H new ATOM 0 HA VAL A 35 18.412 -18.357 26.272 1.00 0.00 H new ATOM 0 HB VAL A 35 19.534 -20.705 27.840 1.00 0.00 H new ATOM 0 HG11 VAL A 35 21.327 -20.803 26.122 1.00 0.00 H new ATOM 0 HG12 VAL A 35 19.732 -21.166 25.423 1.00 0.00 H new ATOM 0 HG13 VAL A 35 20.470 -19.567 25.171 1.00 0.00 H new ATOM 0 HG21 VAL A 35 21.548 -19.256 27.990 1.00 0.00 H new ATOM 0 HG22 VAL A 35 20.695 -17.992 27.074 1.00 0.00 H new ATOM 0 HG23 VAL A 35 20.118 -18.462 28.690 1.00 0.00 H new ATOM 488 N ALA A 36 17.005 -21.325 26.647 1.00 0.00 N ATOM 489 CA ALA A 36 16.250 -22.385 25.985 1.00 0.00 C ATOM 490 C ALA A 36 14.976 -21.828 25.371 1.00 0.00 C ATOM 491 O ALA A 36 14.643 -22.120 24.223 1.00 0.00 O ATOM 492 CB ALA A 36 15.870 -23.468 26.983 1.00 0.00 C ATOM 0 H ALA A 36 17.084 -21.438 27.658 1.00 0.00 H new ATOM 0 HA ALA A 36 16.882 -22.806 25.203 1.00 0.00 H new ATOM 0 HB1 ALA A 36 15.308 -24.251 26.474 1.00 0.00 H new ATOM 0 HB2 ALA A 36 16.774 -23.895 27.418 1.00 0.00 H new ATOM 0 HB3 ALA A 36 15.256 -23.036 27.773 1.00 0.00 H new ATOM 498 N GLY A 37 14.267 -21.020 26.153 1.00 0.00 N ATOM 499 CA GLY A 37 13.019 -20.403 25.712 1.00 0.00 C ATOM 500 C GLY A 37 13.202 -19.746 24.353 1.00 0.00 C ATOM 501 O GLY A 37 12.535 -20.098 23.381 1.00 0.00 O ATOM 0 H GLY A 37 14.539 -20.775 27.105 1.00 0.00 H new ATOM 0 HA2 GLY A 37 12.234 -21.157 25.655 1.00 0.00 H new ATOM 0 HA3 GLY A 37 12.696 -19.660 26.441 1.00 0.00 H new ATOM 505 N LEU A 38 14.119 -18.784 24.299 1.00 0.00 N ATOM 506 CA LEU A 38 14.414 -18.055 23.068 1.00 0.00 C ATOM 507 C LEU A 38 14.898 -19.010 21.989 1.00 0.00 C ATOM 508 O LEU A 38 14.548 -18.875 20.818 1.00 0.00 O ATOM 509 CB LEU A 38 15.503 -17.009 23.313 1.00 0.00 C ATOM 510 CG LEU A 38 15.101 -15.796 24.154 1.00 0.00 C ATOM 511 CD1 LEU A 38 16.304 -14.906 24.425 1.00 0.00 C ATOM 512 CD2 LEU A 38 14.049 -14.966 23.434 1.00 0.00 C ATOM 0 H LEU A 38 14.675 -18.489 25.101 1.00 0.00 H new ATOM 0 HA LEU A 38 13.497 -17.564 22.743 1.00 0.00 H new ATOM 0 HB2 LEU A 38 16.345 -17.500 23.801 1.00 0.00 H new ATOM 0 HB3 LEU A 38 15.859 -16.652 22.346 1.00 0.00 H new ATOM 0 HG LEU A 38 14.698 -16.172 25.094 1.00 0.00 H new ATOM 0 HD11 LEU A 38 15.995 -14.050 25.024 1.00 0.00 H new ATOM 0 HD12 LEU A 38 17.062 -15.473 24.966 1.00 0.00 H new ATOM 0 HD13 LEU A 38 16.718 -14.556 23.479 1.00 0.00 H new ATOM 0 HD21 LEU A 38 13.778 -14.109 24.050 1.00 0.00 H new ATOM 0 HD22 LEU A 38 14.450 -14.617 22.482 1.00 0.00 H new ATOM 0 HD23 LEU A 38 13.165 -15.577 23.253 1.00 0.00 H new ATOM 524 N ILE A 39 15.711 -19.979 22.400 1.00 0.00 N ATOM 525 CA ILE A 39 16.262 -20.975 21.487 1.00 0.00 C ATOM 526 C ILE A 39 15.145 -21.736 20.792 1.00 0.00 C ATOM 527 O ILE A 39 15.188 -21.966 19.584 1.00 0.00 O ATOM 528 CB ILE A 39 17.140 -21.998 22.231 1.00 0.00 C ATOM 529 CG1 ILE A 39 18.405 -21.325 22.768 1.00 0.00 C ATOM 530 CG2 ILE A 39 17.553 -23.125 21.297 1.00 0.00 C ATOM 531 CD1 ILE A 39 19.280 -20.723 21.690 1.00 0.00 C ATOM 0 H ILE A 39 16.005 -20.096 23.370 1.00 0.00 H new ATOM 0 HA ILE A 39 16.868 -20.436 20.759 1.00 0.00 H new ATOM 0 HB ILE A 39 16.555 -22.400 23.058 1.00 0.00 H new ATOM 0 HG12 ILE A 39 18.119 -20.542 23.470 1.00 0.00 H new ATOM 0 HG13 ILE A 39 18.986 -22.058 23.327 1.00 0.00 H new ATOM 0 HG21 ILE A 39 18.173 -23.839 21.840 1.00 0.00 H new ATOM 0 HG22 ILE A 39 16.663 -23.630 20.920 1.00 0.00 H new ATOM 0 HG23 ILE A 39 18.119 -22.715 20.460 1.00 0.00 H new ATOM 0 HD11 ILE A 39 20.157 -20.264 22.147 1.00 0.00 H new ATOM 0 HD12 ILE A 39 19.597 -21.505 21.000 1.00 0.00 H new ATOM 0 HD13 ILE A 39 18.717 -19.965 21.145 1.00 0.00 H new ATOM 543 N TYR A 40 14.142 -22.125 21.574 1.00 0.00 N ATOM 544 CA TYR A 40 12.994 -22.866 21.059 1.00 0.00 C ATOM 545 C TYR A 40 12.149 -21.981 20.158 1.00 0.00 C ATOM 546 O TYR A 40 11.678 -22.409 19.106 1.00 0.00 O ATOM 547 CB TYR A 40 12.116 -23.362 22.210 1.00 0.00 C ATOM 548 CG TYR A 40 10.915 -24.164 21.763 1.00 0.00 C ATOM 549 CD1 TYR A 40 11.051 -25.490 21.372 1.00 0.00 C ATOM 550 CD2 TYR A 40 9.649 -23.593 21.733 1.00 0.00 C ATOM 551 CE1 TYR A 40 9.959 -26.231 20.961 1.00 0.00 C ATOM 552 CE2 TYR A 40 8.546 -24.319 21.325 1.00 0.00 C ATOM 553 CZ TYR A 40 8.711 -25.648 20.938 1.00 0.00 C ATOM 554 OH TYR A 40 7.622 -26.384 20.530 1.00 0.00 O ATOM 0 H TYR A 40 14.101 -21.937 22.576 1.00 0.00 H new ATOM 0 HA TYR A 40 13.375 -23.715 20.491 1.00 0.00 H new ATOM 0 HB2 TYR A 40 12.722 -23.975 22.878 1.00 0.00 H new ATOM 0 HB3 TYR A 40 11.773 -22.504 22.788 1.00 0.00 H new ATOM 0 HD1 TYR A 40 12.028 -25.950 21.389 1.00 0.00 H new ATOM 0 HD2 TYR A 40 9.524 -22.563 22.034 1.00 0.00 H new ATOM 0 HE1 TYR A 40 10.083 -27.261 20.660 1.00 0.00 H new ATOM 0 HE2 TYR A 40 7.568 -23.862 21.306 1.00 0.00 H new ATOM 0 HH TYR A 40 6.817 -25.827 20.573 1.00 0.00 H new ATOM 564 N SER A 41 11.964 -20.735 20.586 1.00 0.00 N ATOM 565 CA SER A 41 11.178 -19.761 19.835 1.00 0.00 C ATOM 566 C SER A 41 11.780 -19.539 18.457 1.00 0.00 C ATOM 567 O SER A 41 11.086 -19.597 17.443 1.00 0.00 O ATOM 568 CB SER A 41 11.144 -18.419 20.569 1.00 0.00 C ATOM 569 OG SER A 41 10.447 -18.528 21.798 1.00 0.00 O ATOM 0 H SER A 41 12.352 -20.374 21.457 1.00 0.00 H new ATOM 0 HA SER A 41 10.167 -20.156 19.738 1.00 0.00 H new ATOM 0 HB2 SER A 41 12.162 -18.076 20.754 1.00 0.00 H new ATOM 0 HB3 SER A 41 10.664 -17.669 19.940 1.00 0.00 H new ATOM 0 HG SER A 41 10.988 -19.038 22.437 1.00 0.00 H new ATOM 575 N MET A 42 13.085 -19.283 18.435 1.00 0.00 N ATOM 576 CA MET A 42 13.812 -19.047 17.191 1.00 0.00 C ATOM 577 C MET A 42 13.792 -20.291 16.318 1.00 0.00 C ATOM 578 O MET A 42 13.623 -20.213 15.102 1.00 0.00 O ATOM 579 CB MET A 42 15.270 -18.685 17.483 1.00 0.00 C ATOM 580 CG MET A 42 16.083 -18.339 16.246 1.00 0.00 C ATOM 581 SD MET A 42 17.784 -17.888 16.635 1.00 0.00 S ATOM 582 CE MET A 42 18.450 -19.475 17.132 1.00 0.00 C ATOM 0 H MET A 42 13.665 -19.233 19.273 1.00 0.00 H new ATOM 0 HA MET A 42 13.323 -18.223 16.672 1.00 0.00 H new ATOM 0 HB2 MET A 42 15.293 -17.838 18.168 1.00 0.00 H new ATOM 0 HB3 MET A 42 15.745 -19.522 17.995 1.00 0.00 H new ATOM 0 HG2 MET A 42 16.084 -19.191 15.567 1.00 0.00 H new ATOM 0 HG3 MET A 42 15.604 -17.513 15.721 1.00 0.00 H new ATOM 0 HE1 MET A 42 19.538 -19.419 17.164 1.00 0.00 H new ATOM 0 HE2 MET A 42 18.071 -19.735 18.120 1.00 0.00 H new ATOM 0 HE3 MET A 42 18.147 -20.238 16.415 1.00 0.00 H new ATOM 592 N LEU A 43 13.969 -21.444 16.957 1.00 0.00 N ATOM 593 CA LEU A 43 13.976 -22.728 16.263 1.00 0.00 C ATOM 594 C LEU A 43 12.563 -23.130 15.872 1.00 0.00 C ATOM 595 O LEU A 43 12.328 -23.650 14.783 1.00 0.00 O ATOM 596 CB LEU A 43 14.558 -23.820 17.163 1.00 0.00 C ATOM 597 CG LEU A 43 16.060 -23.742 17.439 1.00 0.00 C ATOM 598 CD1 LEU A 43 16.479 -24.805 18.443 1.00 0.00 C ATOM 599 CD2 LEU A 43 16.855 -23.957 16.160 1.00 0.00 C ATOM 0 H LEU A 43 14.111 -21.515 17.965 1.00 0.00 H new ATOM 0 HA LEU A 43 14.590 -22.619 15.369 1.00 0.00 H new ATOM 0 HB2 LEU A 43 14.033 -23.792 18.118 1.00 0.00 H new ATOM 0 HB3 LEU A 43 14.343 -24.788 16.709 1.00 0.00 H new ATOM 0 HG LEU A 43 16.265 -22.750 17.841 1.00 0.00 H new ATOM 0 HD11 LEU A 43 17.551 -24.731 18.625 1.00 0.00 H new ATOM 0 HD12 LEU A 43 15.941 -24.654 19.379 1.00 0.00 H new ATOM 0 HD13 LEU A 43 16.245 -25.793 18.046 1.00 0.00 H new ATOM 0 HD21 LEU A 43 17.921 -23.897 16.380 1.00 0.00 H new ATOM 0 HD22 LEU A 43 16.624 -24.940 15.749 1.00 0.00 H new ATOM 0 HD23 LEU A 43 16.591 -23.188 15.434 1.00 0.00 H new ATOM 611 N ARG A 44 11.623 -22.879 16.778 1.00 0.00 N ATOM 612 CA ARG A 44 10.217 -23.205 16.555 1.00 0.00 C ATOM 613 C ARG A 44 9.542 -22.118 15.734 1.00 0.00 C ATOM 614 O ARG A 44 8.644 -22.387 14.938 1.00 0.00 O ATOM 615 CB ARG A 44 9.478 -23.332 17.889 1.00 0.00 C ATOM 616 CG ARG A 44 8.026 -23.760 17.756 1.00 0.00 C ATOM 617 CD ARG A 44 7.916 -25.183 17.231 1.00 0.00 C ATOM 618 NE ARG A 44 6.525 -25.616 17.112 1.00 0.00 N ATOM 619 CZ ARG A 44 6.142 -26.746 16.527 1.00 0.00 C ATOM 620 NH1 ARG A 44 7.047 -27.561 16.004 1.00 0.00 N ATOM 621 NH2 ARG A 44 4.855 -27.058 16.466 1.00 0.00 N ATOM 0 H ARG A 44 11.812 -22.447 17.682 1.00 0.00 H new ATOM 0 HA ARG A 44 10.177 -24.153 16.018 1.00 0.00 H new ATOM 0 HB2 ARG A 44 10.002 -24.054 18.515 1.00 0.00 H new ATOM 0 HB3 ARG A 44 9.517 -22.373 18.406 1.00 0.00 H new ATOM 0 HG2 ARG A 44 7.533 -23.689 18.726 1.00 0.00 H new ATOM 0 HG3 ARG A 44 7.504 -23.080 17.082 1.00 0.00 H new ATOM 0 HD2 ARG A 44 8.401 -25.249 16.257 1.00 0.00 H new ATOM 0 HD3 ARG A 44 8.450 -25.858 17.899 1.00 0.00 H new ATOM 0 HE ARG A 44 5.802 -25.012 17.503 1.00 0.00 H new ATOM 0 HH11 ARG A 44 8.037 -27.321 16.051 1.00 0.00 H new ATOM 0 HH12 ARG A 44 6.753 -28.428 15.555 1.00 0.00 H new ATOM 0 HH21 ARG A 44 4.159 -26.431 16.868 1.00 0.00 H new ATOM 0 HH22 ARG A 44 4.561 -27.925 16.017 1.00 0.00 H new ATOM 635 N LYS A 45 9.989 -20.883 15.940 1.00 0.00 N ATOM 636 CA LYS A 45 9.445 -19.729 15.230 1.00 0.00 C ATOM 637 C LYS A 45 9.918 -19.721 13.786 1.00 0.00 C ATOM 638 O LYS A 45 9.133 -19.518 12.861 1.00 0.00 O ATOM 639 CB LYS A 45 9.899 -18.428 15.895 1.00 0.00 C ATOM 640 CG LYS A 45 9.335 -17.172 15.251 1.00 0.00 C ATOM 641 CD LYS A 45 9.780 -15.923 15.993 1.00 0.00 C ATOM 642 CE LYS A 45 9.228 -14.666 15.341 1.00 0.00 C ATOM 643 NZ LYS A 45 9.647 -13.434 16.065 1.00 0.00 N ATOM 0 H LYS A 45 10.733 -20.654 16.599 1.00 0.00 H new ATOM 0 HA LYS A 45 8.358 -19.801 15.263 1.00 0.00 H new ATOM 0 HB2 LYS A 45 9.606 -18.448 16.945 1.00 0.00 H new ATOM 0 HB3 LYS A 45 10.988 -18.380 15.868 1.00 0.00 H new ATOM 0 HG2 LYS A 45 9.661 -17.116 14.212 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.246 -17.223 15.241 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.445 -15.975 17.029 1.00 0.00 H new ATOM 0 HD3 LYS A 45 10.869 -15.877 16.012 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.570 -14.613 14.307 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.140 -14.719 15.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.250 -12.599 15.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 9.299 -13.472 17.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 10.685 -13.369 16.068 1.00 0.00 H new ATOM 657 N ALA A 46 11.216 -19.945 13.605 1.00 0.00 N ATOM 658 CA ALA A 46 11.827 -19.969 12.279 1.00 0.00 C ATOM 659 C ALA A 46 13.317 -20.250 12.403 1.00 0.00 C ATOM 660 O ALA A 46 13.831 -20.417 13.507 1.00 0.00 O ATOM 661 CB ALA A 46 11.585 -18.632 11.584 1.00 0.00 C ATOM 0 H ALA A 46 11.871 -20.114 14.368 1.00 0.00 H new ATOM 0 HA ALA A 46 11.377 -20.761 11.681 1.00 0.00 H new ATOM 0 HB1 ALA A 46 12.041 -18.649 10.594 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.513 -18.461 11.487 1.00 0.00 H new ATOM 0 HB3 ALA A 46 12.028 -17.830 12.174 1.00 0.00 H new