USER MOD reduce.3.24.130724 H: found=0, std=0, add=343, rem=0, adj=10 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 : amide:sc= -1.85 K(o=-3.3,f=-1.1) USER MOD Set 1.2: A 19 MET CE :methyl -176:sc= -1.48 (180deg=-0.324) USER MOD Single : A 1 GLY N :NH3+ -131:sc= 0.179 (180deg=-0.676) USER MOD Single : A 5 THR OG1 : rot -9:sc= 0.277 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 107:sc= 0.943 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= 0.298 USER MOD Single : A 42 MET CE :methyl 166:sc=-0.00882 (180deg=-0.234) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.291 9.487 42.272 1.00 0.00 N ATOM 2 CA GLY A 1 3.141 10.660 42.315 1.00 0.00 C ATOM 3 C GLY A 1 4.157 10.608 41.185 1.00 0.00 C ATOM 4 O GLY A 1 4.176 9.665 40.398 1.00 0.00 O ATOM 0 H1 GLY A 1 1.295 9.778 42.336 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.447 8.978 41.379 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.521 8.862 43.071 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.535 11.562 42.229 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.655 10.712 43.275 1.00 0.00 H new ATOM 8 N VAL A 2 4.998 11.637 41.120 1.00 0.00 N ATOM 9 CA VAL A 2 6.031 11.737 40.094 1.00 0.00 C ATOM 10 C VAL A 2 7.113 10.695 40.325 1.00 0.00 C ATOM 11 O VAL A 2 7.569 10.034 39.393 1.00 0.00 O ATOM 12 CB VAL A 2 6.700 13.124 40.100 1.00 0.00 C ATOM 13 CG1 VAL A 2 7.893 13.144 39.156 1.00 0.00 C ATOM 14 CG2 VAL A 2 5.715 14.193 39.653 1.00 0.00 C ATOM 0 H VAL A 2 4.983 12.420 41.773 1.00 0.00 H new ATOM 0 HA VAL A 2 5.541 11.573 39.134 1.00 0.00 H new ATOM 0 HB VAL A 2 7.030 13.329 41.118 1.00 0.00 H new ATOM 0 HG11 VAL A 2 8.354 14.132 39.173 1.00 0.00 H new ATOM 0 HG12 VAL A 2 8.621 12.398 39.474 1.00 0.00 H new ATOM 0 HG13 VAL A 2 7.560 12.916 38.144 1.00 0.00 H new ATOM 0 HG21 VAL A 2 6.205 15.167 39.663 1.00 0.00 H new ATOM 0 HG22 VAL A 2 5.371 13.971 38.643 1.00 0.00 H new ATOM 0 HG23 VAL A 2 4.862 14.209 40.332 1.00 0.00 H new ATOM 24 N ILE A 3 7.519 10.557 41.584 1.00 0.00 N ATOM 25 CA ILE A 3 8.550 9.600 41.971 1.00 0.00 C ATOM 26 C ILE A 3 8.060 8.176 41.763 1.00 0.00 C ATOM 27 O ILE A 3 8.806 7.305 41.319 1.00 0.00 O ATOM 28 CB ILE A 3 8.937 9.756 43.454 1.00 0.00 C ATOM 29 CG1 ILE A 3 9.630 11.100 43.686 1.00 0.00 C ATOM 30 CG2 ILE A 3 9.886 8.645 43.876 1.00 0.00 C ATOM 31 CD1 ILE A 3 9.823 11.443 45.146 1.00 0.00 C ATOM 0 H ILE A 3 7.145 11.102 42.361 1.00 0.00 H new ATOM 0 HA ILE A 3 9.419 9.801 41.345 1.00 0.00 H new ATOM 0 HB ILE A 3 8.022 9.704 44.045 1.00 0.00 H new ATOM 0 HG12 ILE A 3 10.603 11.086 43.194 1.00 0.00 H new ATOM 0 HG13 ILE A 3 9.044 11.887 43.212 1.00 0.00 H new ATOM 0 HG21 ILE A 3 10.149 8.771 44.926 1.00 0.00 H new ATOM 0 HG22 ILE A 3 9.400 7.679 43.737 1.00 0.00 H new ATOM 0 HG23 ILE A 3 10.790 8.688 43.268 1.00 0.00 H new ATOM 0 HD11 ILE A 3 10.320 12.409 45.230 1.00 0.00 H new ATOM 0 HD12 ILE A 3 8.853 11.490 45.640 1.00 0.00 H new ATOM 0 HD13 ILE A 3 10.435 10.677 45.622 1.00 0.00 H new ATOM 43 N ASP A 4 6.791 7.952 42.091 1.00 0.00 N ATOM 44 CA ASP A 4 6.170 6.639 41.951 1.00 0.00 C ATOM 45 C ASP A 4 6.381 6.097 40.546 1.00 0.00 C ATOM 46 O ASP A 4 6.649 4.912 40.355 1.00 0.00 O ATOM 47 CB ASP A 4 4.665 6.727 42.214 1.00 0.00 C ATOM 48 CG ASP A 4 4.343 6.962 43.677 1.00 0.00 C ATOM 49 OD1 ASP A 4 3.148 6.904 44.038 1.00 0.00 O ATOM 50 OD2 ASP A 4 5.284 7.203 44.462 1.00 0.00 O ATOM 0 H ASP A 4 6.168 8.671 42.459 1.00 0.00 H new ATOM 0 HA ASP A 4 6.634 5.973 42.678 1.00 0.00 H new ATOM 0 HB2 ASP A 4 4.242 7.536 41.618 1.00 0.00 H new ATOM 0 HB3 ASP A 4 4.187 5.804 41.884 1.00 0.00 H new ATOM 56 N THR A 5 6.256 6.985 39.563 1.00 0.00 N ATOM 57 CA THR A 5 6.427 6.623 38.159 1.00 0.00 C ATOM 58 C THR A 5 7.852 6.904 37.708 1.00 0.00 C ATOM 59 O THR A 5 8.218 6.650 36.562 1.00 0.00 O ATOM 60 CB THR A 5 5.475 7.423 37.250 1.00 0.00 C ATOM 61 OG1 THR A 5 5.764 8.822 37.364 1.00 0.00 O ATOM 62 CG2 THR A 5 4.028 7.184 37.652 1.00 0.00 C ATOM 0 H THR A 5 6.035 7.969 39.716 1.00 0.00 H new ATOM 0 HA THR A 5 6.202 5.560 38.075 1.00 0.00 H new ATOM 0 HB THR A 5 5.620 7.093 36.221 1.00 0.00 H new ATOM 0 HG1 THR A 5 6.395 8.967 38.099 1.00 0.00 H new ATOM 0 HG21 THR A 5 3.370 7.757 36.999 1.00 0.00 H new ATOM 0 HG22 THR A 5 3.796 6.123 37.561 1.00 0.00 H new ATOM 0 HG23 THR A 5 3.880 7.500 38.685 1.00 0.00 H new ATOM 70 N SER A 6 8.652 7.433 38.629 1.00 0.00 N ATOM 71 CA SER A 6 10.048 7.761 38.353 1.00 0.00 C ATOM 72 C SER A 6 10.748 6.590 37.681 1.00 0.00 C ATOM 73 O SER A 6 11.250 6.705 36.564 1.00 0.00 O ATOM 74 CB SER A 6 10.789 8.086 39.652 1.00 0.00 C ATOM 75 OG SER A 6 12.148 8.398 39.399 1.00 0.00 O ATOM 0 H SER A 6 8.354 7.645 39.581 1.00 0.00 H new ATOM 0 HA SER A 6 10.061 8.628 37.693 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.306 8.927 40.149 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.728 7.236 40.332 1.00 0.00 H new ATOM 0 HG SER A 6 12.599 8.604 40.244 1.00 0.00 H new ATOM 81 N ALA A 7 10.774 5.459 38.380 1.00 0.00 N ATOM 82 CA ALA A 7 11.407 4.244 37.874 1.00 0.00 C ATOM 83 C ALA A 7 10.749 3.801 36.577 1.00 0.00 C ATOM 84 O ALA A 7 11.420 3.390 35.631 1.00 0.00 O ATOM 85 CB ALA A 7 11.279 3.118 38.888 1.00 0.00 C ATOM 0 H ALA A 7 10.360 5.358 39.307 1.00 0.00 H new ATOM 0 HA ALA A 7 12.459 4.465 37.697 1.00 0.00 H new ATOM 0 HB1 ALA A 7 11.756 2.219 38.496 1.00 0.00 H new ATOM 0 HB2 ALA A 7 11.765 3.410 39.819 1.00 0.00 H new ATOM 0 HB3 ALA A 7 10.225 2.916 39.077 1.00 0.00 H new ATOM 91 N VAL A 8 9.422 3.891 36.546 1.00 0.00 N ATOM 92 CA VAL A 8 8.642 3.505 35.374 1.00 0.00 C ATOM 93 C VAL A 8 8.991 4.388 34.188 1.00 0.00 C ATOM 94 O VAL A 8 9.124 3.916 33.060 1.00 0.00 O ATOM 95 CB VAL A 8 7.130 3.637 35.634 1.00 0.00 C ATOM 96 CG1 VAL A 8 6.348 3.434 34.345 1.00 0.00 C ATOM 97 CG2 VAL A 8 6.670 2.598 36.644 1.00 0.00 C ATOM 0 H VAL A 8 8.861 4.231 37.327 1.00 0.00 H new ATOM 0 HA VAL A 8 8.885 2.464 35.161 1.00 0.00 H new ATOM 0 HB VAL A 8 6.947 4.638 36.024 1.00 0.00 H new ATOM 0 HG11 VAL A 8 5.281 3.531 34.547 1.00 0.00 H new ATOM 0 HG12 VAL A 8 6.648 4.186 33.615 1.00 0.00 H new ATOM 0 HG13 VAL A 8 6.553 2.440 33.948 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.599 2.706 36.815 1.00 0.00 H new ATOM 0 HG22 VAL A 8 6.877 1.600 36.259 1.00 0.00 H new ATOM 0 HG23 VAL A 8 7.204 2.742 37.583 1.00 0.00 H new ATOM 107 N GLU A 9 9.139 5.683 34.458 1.00 0.00 N ATOM 108 CA GLU A 9 9.475 6.662 33.428 1.00 0.00 C ATOM 109 C GLU A 9 10.770 6.278 32.731 1.00 0.00 C ATOM 110 O GLU A 9 10.908 6.427 31.518 1.00 0.00 O ATOM 111 CB GLU A 9 9.652 8.051 34.046 1.00 0.00 C ATOM 112 CG GLU A 9 9.936 9.149 33.034 1.00 0.00 C ATOM 113 CD GLU A 9 10.054 10.517 33.676 1.00 0.00 C ATOM 114 OE1 GLU A 9 9.916 10.605 34.914 1.00 0.00 O ATOM 115 OE2 GLU A 9 10.285 11.500 32.942 1.00 0.00 O ATOM 0 H GLU A 9 9.030 6.081 35.391 1.00 0.00 H new ATOM 0 HA GLU A 9 8.658 6.679 32.707 1.00 0.00 H new ATOM 0 HB2 GLU A 9 8.750 8.308 34.601 1.00 0.00 H new ATOM 0 HB3 GLU A 9 10.470 8.015 34.766 1.00 0.00 H new ATOM 0 HG2 GLU A 9 10.860 8.919 32.504 1.00 0.00 H new ATOM 0 HG3 GLU A 9 9.139 9.168 32.291 1.00 0.00 H new ATOM 123 N SER A 10 11.720 5.781 33.517 1.00 0.00 N ATOM 124 CA SER A 10 13.020 5.365 33.001 1.00 0.00 C ATOM 125 C SER A 10 12.935 3.972 32.400 1.00 0.00 C ATOM 126 O SER A 10 13.407 3.727 31.291 1.00 0.00 O ATOM 127 CB SER A 10 14.060 5.344 34.123 1.00 0.00 C ATOM 128 OG SER A 10 14.269 6.643 34.649 1.00 0.00 O ATOM 0 H SER A 10 11.612 5.656 34.523 1.00 0.00 H new ATOM 0 HA SER A 10 13.316 6.081 32.234 1.00 0.00 H new ATOM 0 HB2 SER A 10 13.729 4.675 34.918 1.00 0.00 H new ATOM 0 HB3 SER A 10 15.001 4.946 33.743 1.00 0.00 H new ATOM 0 HG SER A 10 14.936 6.602 35.365 1.00 0.00 H new ATOM 134 N ALA A 11 12.323 3.059 33.151 1.00 0.00 N ATOM 135 CA ALA A 11 12.159 1.675 32.716 1.00 0.00 C ATOM 136 C ALA A 11 11.225 1.599 31.520 1.00 0.00 C ATOM 137 O ALA A 11 11.442 0.823 30.591 1.00 0.00 O ATOM 138 CB ALA A 11 11.573 0.832 33.839 1.00 0.00 C ATOM 0 H ALA A 11 11.930 3.256 34.071 1.00 0.00 H new ATOM 0 HA ALA A 11 13.142 1.294 32.440 1.00 0.00 H new ATOM 0 HB1 ALA A 11 11.457 -0.197 33.499 1.00 0.00 H new ATOM 0 HB2 ALA A 11 12.242 0.857 34.699 1.00 0.00 H new ATOM 0 HB3 ALA A 11 10.600 1.232 34.124 1.00 0.00 H new ATOM 144 N ILE A 12 10.178 2.419 31.556 1.00 0.00 N ATOM 145 CA ILE A 12 9.188 2.468 30.485 1.00 0.00 C ATOM 146 C ILE A 12 9.808 3.019 29.212 1.00 0.00 C ATOM 147 O ILE A 12 9.617 2.478 28.124 1.00 0.00 O ATOM 148 CB ILE A 12 7.996 3.368 30.859 1.00 0.00 C ATOM 149 CG1 ILE A 12 7.205 2.753 32.015 1.00 0.00 C ATOM 150 CG2 ILE A 12 7.061 3.536 29.671 1.00 0.00 C ATOM 151 CD1 ILE A 12 6.624 1.392 31.701 1.00 0.00 C ATOM 0 H ILE A 12 9.993 3.064 32.324 1.00 0.00 H new ATOM 0 HA ILE A 12 8.839 1.447 30.330 1.00 0.00 H new ATOM 0 HB ILE A 12 8.392 4.339 31.156 1.00 0.00 H new ATOM 0 HG12 ILE A 12 7.857 2.668 32.884 1.00 0.00 H new ATOM 0 HG13 ILE A 12 6.395 3.429 32.289 1.00 0.00 H new ATOM 0 HG21 ILE A 12 6.224 4.175 29.954 1.00 0.00 H new ATOM 0 HG22 ILE A 12 7.603 3.993 28.843 1.00 0.00 H new ATOM 0 HG23 ILE A 12 6.685 2.560 29.363 1.00 0.00 H new ATOM 0 HD11 ILE A 12 6.078 1.021 32.568 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.945 1.473 30.852 1.00 0.00 H new ATOM 0 HD13 ILE A 12 7.430 0.700 31.456 1.00 0.00 H new ATOM 163 N THR A 13 10.557 4.109 29.363 1.00 0.00 N ATOM 164 CA THR A 13 11.222 4.761 28.238 1.00 0.00 C ATOM 165 C THR A 13 12.268 3.840 27.632 1.00 0.00 C ATOM 166 O THR A 13 12.397 3.739 26.413 1.00 0.00 O ATOM 167 CB THR A 13 11.929 6.058 28.675 1.00 0.00 C ATOM 168 OG1 THR A 13 10.961 6.985 29.182 1.00 0.00 O ATOM 169 CG2 THR A 13 12.650 6.694 27.496 1.00 0.00 C ATOM 0 H THR A 13 10.719 4.562 30.262 1.00 0.00 H new ATOM 0 HA THR A 13 10.449 4.996 27.506 1.00 0.00 H new ATOM 0 HB THR A 13 12.655 5.813 29.450 1.00 0.00 H new ATOM 0 HG1 THR A 13 11.043 7.043 30.157 1.00 0.00 H new ATOM 0 HG21 THR A 13 13.144 7.609 27.822 1.00 0.00 H new ATOM 0 HG22 THR A 13 13.394 5.999 27.107 1.00 0.00 H new ATOM 0 HG23 THR A 13 11.929 6.930 26.713 1.00 0.00 H new ATOM 177 N ASP A 14 13.017 3.168 28.503 1.00 0.00 N ATOM 178 CA ASP A 14 14.066 2.245 28.081 1.00 0.00 C ATOM 179 C ASP A 14 13.460 1.018 27.420 1.00 0.00 C ATOM 180 O ASP A 14 13.862 0.620 26.328 1.00 0.00 O ATOM 181 CB ASP A 14 14.893 1.788 29.284 1.00 0.00 C ATOM 182 CG ASP A 14 15.779 2.888 29.834 1.00 0.00 C ATOM 183 OD1 ASP A 14 16.600 2.598 30.729 1.00 0.00 O ATOM 184 OD2 ASP A 14 15.651 4.041 29.371 1.00 0.00 O ATOM 0 H ASP A 14 12.915 3.247 29.515 1.00 0.00 H new ATOM 0 HA ASP A 14 14.705 2.770 27.371 1.00 0.00 H new ATOM 0 HB2 ASP A 14 14.223 1.440 30.070 1.00 0.00 H new ATOM 0 HB3 ASP A 14 15.512 0.939 28.993 1.00 0.00 H new ATOM 190 N GLY A 15 12.483 0.423 28.098 1.00 0.00 N ATOM 191 CA GLY A 15 11.799 -0.766 27.598 1.00 0.00 C ATOM 192 C GLY A 15 10.699 -0.378 26.623 1.00 0.00 C ATOM 193 O GLY A 15 10.782 -0.653 25.427 1.00 0.00 O ATOM 0 H GLY A 15 12.145 0.748 29.004 1.00 0.00 H new ATOM 0 HA2 GLY A 15 12.515 -1.424 27.105 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.374 -1.325 28.431 1.00 0.00 H new ATOM 197 N GLN A 16 9.663 0.268 27.152 1.00 0.00 N ATOM 198 CA GLN A 16 8.527 0.710 26.350 1.00 0.00 C ATOM 199 C GLN A 16 9.005 1.448 25.110 1.00 0.00 C ATOM 200 O GLN A 16 8.644 1.104 23.986 1.00 0.00 O ATOM 201 CB GLN A 16 7.634 1.653 27.159 1.00 0.00 C ATOM 202 CG GLN A 16 6.399 2.130 26.414 1.00 0.00 C ATOM 203 CD GLN A 16 5.443 1.000 26.086 1.00 0.00 C ATOM 204 OE1 GLN A 16 5.014 0.261 26.972 1.00 0.00 O ATOM 205 NE2 GLN A 16 5.107 0.862 24.809 1.00 0.00 N ATOM 0 H GLN A 16 9.588 0.498 28.143 1.00 0.00 H new ATOM 0 HA GLN A 16 7.962 -0.176 26.059 1.00 0.00 H new ATOM 0 HB2 GLN A 16 7.321 1.146 28.072 1.00 0.00 H new ATOM 0 HB3 GLN A 16 8.220 2.521 27.462 1.00 0.00 H new ATOM 0 HG2 GLN A 16 5.881 2.876 27.017 1.00 0.00 H new ATOM 0 HG3 GLN A 16 6.704 2.623 25.491 1.00 0.00 H new ATOM 0 HE21 GLN A 16 5.488 1.499 24.110 1.00 0.00 H new ATOM 0 HE22 GLN A 16 4.468 0.119 24.527 1.00 0.00 H new ATOM 214 N GLY A 17 9.826 2.471 25.332 1.00 0.00 N ATOM 215 CA GLY A 17 10.373 3.281 24.247 1.00 0.00 C ATOM 216 C GLY A 17 11.002 2.393 23.185 1.00 0.00 C ATOM 217 O GLY A 17 10.763 2.564 21.991 1.00 0.00 O ATOM 0 H GLY A 17 10.129 2.760 26.262 1.00 0.00 H new ATOM 0 HA2 GLY A 17 9.583 3.886 23.802 1.00 0.00 H new ATOM 0 HA3 GLY A 17 11.119 3.971 24.641 1.00 0.00 H new ATOM 221 N ASP A 18 11.812 1.440 23.638 1.00 0.00 N ATOM 222 CA ASP A 18 12.493 0.507 22.746 1.00 0.00 C ATOM 223 C ASP A 18 11.487 -0.219 21.867 1.00 0.00 C ATOM 224 O ASP A 18 11.847 -0.849 20.874 1.00 0.00 O ATOM 225 CB ASP A 18 13.271 -0.535 23.553 1.00 0.00 C ATOM 226 CG ASP A 18 14.484 0.053 24.246 1.00 0.00 C ATOM 227 OD1 ASP A 18 15.527 -0.632 24.301 1.00 0.00 O ATOM 228 OD2 ASP A 18 14.392 1.199 24.736 1.00 0.00 O ATOM 0 H ASP A 18 12.014 1.293 24.627 1.00 0.00 H new ATOM 0 HA ASP A 18 13.180 1.082 22.125 1.00 0.00 H new ATOM 0 HB2 ASP A 18 12.611 -0.979 24.298 1.00 0.00 H new ATOM 0 HB3 ASP A 18 13.590 -1.339 22.890 1.00 0.00 H new ATOM 234 N MET A 19 10.216 -0.122 22.246 1.00 0.00 N ATOM 235 CA MET A 19 9.130 -0.760 21.509 1.00 0.00 C ATOM 236 C MET A 19 9.004 -0.159 20.119 1.00 0.00 C ATOM 237 O MET A 19 8.817 -0.870 19.133 1.00 0.00 O ATOM 238 CB MET A 19 7.800 -0.568 22.241 1.00 0.00 C ATOM 239 CG MET A 19 6.624 -1.273 21.586 1.00 0.00 C ATOM 240 SD MET A 19 5.080 -1.033 22.487 1.00 0.00 S ATOM 241 CE MET A 19 5.398 -1.993 23.965 1.00 0.00 C ATOM 0 H MET A 19 9.911 0.398 23.068 1.00 0.00 H new ATOM 0 HA MET A 19 9.361 -1.823 21.433 1.00 0.00 H new ATOM 0 HB2 MET A 19 7.904 -0.932 23.263 1.00 0.00 H new ATOM 0 HB3 MET A 19 7.582 0.498 22.303 1.00 0.00 H new ATOM 0 HG2 MET A 19 6.506 -0.905 20.567 1.00 0.00 H new ATOM 0 HG3 MET A 19 6.838 -2.340 21.517 1.00 0.00 H new ATOM 0 HE1 MET A 19 4.507 -2.002 24.592 1.00 0.00 H new ATOM 0 HE2 MET A 19 5.656 -3.015 23.687 1.00 0.00 H new ATOM 0 HE3 MET A 19 6.226 -1.548 24.517 1.00 0.00 H new ATOM 251 N LYS A 20 9.110 1.165 20.054 1.00 0.00 N ATOM 252 CA LYS A 20 9.012 1.895 18.793 1.00 0.00 C ATOM 253 C LYS A 20 10.062 1.402 17.810 1.00 0.00 C ATOM 254 O LYS A 20 9.791 1.230 16.623 1.00 0.00 O ATOM 255 CB LYS A 20 9.229 3.392 19.022 1.00 0.00 C ATOM 256 CG LYS A 20 9.082 4.240 17.769 1.00 0.00 C ATOM 257 CD LYS A 20 9.255 5.718 18.079 1.00 0.00 C ATOM 258 CE LYS A 20 9.123 6.564 16.823 1.00 0.00 C ATOM 259 NZ LYS A 20 9.277 8.016 17.113 1.00 0.00 N ATOM 0 H LYS A 20 9.265 1.759 20.868 1.00 0.00 H new ATOM 0 HA LYS A 20 8.015 1.724 18.387 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.517 3.741 19.769 1.00 0.00 H new ATOM 0 HB3 LYS A 20 10.226 3.544 19.436 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.822 3.932 17.030 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.100 4.072 17.326 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.508 6.029 18.810 1.00 0.00 H new ATOM 0 HD3 LYS A 20 10.232 5.885 18.532 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.876 6.257 16.098 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.149 6.386 16.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 9.180 8.558 16.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.543 8.315 17.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 10.216 8.190 17.525 1.00 0.00 H new ATOM 273 N ALA A 21 11.269 1.177 18.323 1.00 0.00 N ATOM 274 CA ALA A 21 12.385 0.702 17.511 1.00 0.00 C ATOM 275 C ALA A 21 12.140 -0.726 17.053 1.00 0.00 C ATOM 276 O ALA A 21 12.410 -1.082 15.907 1.00 0.00 O ATOM 277 CB ALA A 21 13.677 0.736 18.313 1.00 0.00 C ATOM 0 H ALA A 21 11.500 1.318 19.307 1.00 0.00 H new ATOM 0 HA ALA A 21 12.470 1.358 16.644 1.00 0.00 H new ATOM 0 HB1 ALA A 21 14.499 0.379 17.693 1.00 0.00 H new ATOM 0 HB2 ALA A 21 13.880 1.758 18.632 1.00 0.00 H new ATOM 0 HB3 ALA A 21 13.578 0.095 19.189 1.00 0.00 H new ATOM 283 N ILE A 22 11.624 -1.543 17.968 1.00 0.00 N ATOM 284 CA ILE A 22 11.331 -2.945 17.685 1.00 0.00 C ATOM 285 C ILE A 22 10.249 -3.059 16.623 1.00 0.00 C ATOM 286 O ILE A 22 10.391 -3.793 15.647 1.00 0.00 O ATOM 287 CB ILE A 22 10.839 -3.684 18.943 1.00 0.00 C ATOM 288 CG1 ILE A 22 11.966 -3.794 19.972 1.00 0.00 C ATOM 289 CG2 ILE A 22 10.371 -5.087 18.588 1.00 0.00 C ATOM 290 CD1 ILE A 22 11.509 -4.284 21.329 1.00 0.00 C ATOM 0 H ILE A 22 11.399 -1.254 18.920 1.00 0.00 H new ATOM 0 HA ILE A 22 12.259 -3.398 17.336 1.00 0.00 H new ATOM 0 HB ILE A 22 10.010 -3.114 19.362 1.00 0.00 H new ATOM 0 HG12 ILE A 22 12.729 -4.472 19.590 1.00 0.00 H new ATOM 0 HG13 ILE A 22 12.436 -2.817 20.088 1.00 0.00 H new ATOM 0 HG21 ILE A 22 10.027 -5.595 19.489 1.00 0.00 H new ATOM 0 HG22 ILE A 22 9.553 -5.027 17.870 1.00 0.00 H new ATOM 0 HG23 ILE A 22 11.198 -5.646 18.150 1.00 0.00 H new ATOM 0 HD11 ILE A 22 12.363 -4.336 22.004 1.00 0.00 H new ATOM 0 HD12 ILE A 22 10.768 -3.595 21.734 1.00 0.00 H new ATOM 0 HD13 ILE A 22 11.066 -5.275 21.228 1.00 0.00 H new ATOM 302 N GLY A 23 9.163 -2.320 16.827 1.00 0.00 N ATOM 303 CA GLY A 23 8.035 -2.316 15.899 1.00 0.00 C ATOM 304 C GLY A 23 8.443 -1.705 14.568 1.00 0.00 C ATOM 305 O GLY A 23 8.114 -2.224 13.502 1.00 0.00 O ATOM 0 H GLY A 23 9.039 -1.710 17.635 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.680 -3.335 15.745 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.207 -1.751 16.327 1.00 0.00 H new ATOM 309 N GLY A 24 9.165 -0.591 14.645 1.00 0.00 N ATOM 310 CA GLY A 24 9.633 0.118 13.458 1.00 0.00 C ATOM 311 C GLY A 24 10.673 -0.710 12.719 1.00 0.00 C ATOM 312 O GLY A 24 10.542 -0.977 11.526 1.00 0.00 O ATOM 0 H GLY A 24 9.441 -0.156 15.526 1.00 0.00 H new ATOM 0 HA2 GLY A 24 8.792 0.329 12.798 1.00 0.00 H new ATOM 0 HA3 GLY A 24 10.061 1.078 13.746 1.00 0.00 H new ATOM 316 N TYR A 25 11.711 -1.113 13.447 1.00 0.00 N ATOM 317 CA TYR A 25 12.793 -1.914 12.885 1.00 0.00 C ATOM 318 C TYR A 25 12.244 -3.184 12.256 1.00 0.00 C ATOM 319 O TYR A 25 12.697 -3.617 11.197 1.00 0.00 O ATOM 320 CB TYR A 25 13.791 -2.307 13.976 1.00 0.00 C ATOM 321 CG TYR A 25 14.940 -3.154 13.478 1.00 0.00 C ATOM 322 CD1 TYR A 25 16.004 -2.579 12.794 1.00 0.00 C ATOM 323 CD2 TYR A 25 14.959 -4.526 13.695 1.00 0.00 C ATOM 324 CE1 TYR A 25 17.058 -3.345 12.336 1.00 0.00 C ATOM 325 CE2 TYR A 25 16.005 -5.308 13.243 1.00 0.00 C ATOM 326 CZ TYR A 25 17.060 -4.705 12.559 1.00 0.00 C ATOM 327 OH TYR A 25 18.109 -5.470 12.104 1.00 0.00 O ATOM 0 H TYR A 25 11.825 -0.895 14.437 1.00 0.00 H new ATOM 0 HA TYR A 25 13.293 -1.312 12.126 1.00 0.00 H new ATOM 0 HB2 TYR A 25 14.191 -1.401 14.432 1.00 0.00 H new ATOM 0 HB3 TYR A 25 13.263 -2.852 14.759 1.00 0.00 H new ATOM 0 HD1 TYR A 25 16.007 -1.514 12.617 1.00 0.00 H new ATOM 0 HD2 TYR A 25 14.141 -4.990 14.227 1.00 0.00 H new ATOM 0 HE1 TYR A 25 17.876 -2.881 11.806 1.00 0.00 H new ATOM 0 HE2 TYR A 25 16.005 -6.374 13.418 1.00 0.00 H new ATOM 0 HH TYR A 25 17.958 -6.408 12.344 1.00 0.00 H new ATOM 337 N ILE A 26 11.259 -3.777 12.924 1.00 0.00 N ATOM 338 CA ILE A 26 10.624 -5.005 12.452 1.00 0.00 C ATOM 339 C ILE A 26 9.700 -4.709 11.282 1.00 0.00 C ATOM 340 O ILE A 26 9.701 -5.416 10.276 1.00 0.00 O ATOM 341 CB ILE A 26 9.787 -5.670 13.561 1.00 0.00 C ATOM 342 CG1 ILE A 26 10.695 -6.176 14.684 1.00 0.00 C ATOM 343 CG2 ILE A 26 9.006 -6.850 13.003 1.00 0.00 C ATOM 344 CD1 ILE A 26 9.946 -6.619 15.921 1.00 0.00 C ATOM 0 H ILE A 26 10.880 -3.423 13.802 1.00 0.00 H new ATOM 0 HA ILE A 26 11.424 -5.679 12.147 1.00 0.00 H new ATOM 0 HB ILE A 26 9.097 -4.923 13.952 1.00 0.00 H new ATOM 0 HG12 ILE A 26 11.288 -7.011 14.311 1.00 0.00 H new ATOM 0 HG13 ILE A 26 11.394 -5.386 14.957 1.00 0.00 H new ATOM 0 HG21 ILE A 26 8.420 -7.308 13.800 1.00 0.00 H new ATOM 0 HG22 ILE A 26 8.338 -6.504 12.214 1.00 0.00 H new ATOM 0 HG23 ILE A 26 9.700 -7.585 12.594 1.00 0.00 H new ATOM 0 HD11 ILE A 26 10.656 -6.964 16.672 1.00 0.00 H new ATOM 0 HD12 ILE A 26 9.375 -5.781 16.320 1.00 0.00 H new ATOM 0 HD13 ILE A 26 9.267 -7.432 15.664 1.00 0.00 H new ATOM 356 N VAL A 27 8.908 -3.651 11.428 1.00 0.00 N ATOM 357 CA VAL A 27 7.963 -3.235 10.395 1.00 0.00 C ATOM 358 C VAL A 27 8.694 -2.563 9.244 1.00 0.00 C ATOM 359 O VAL A 27 8.269 -2.634 8.092 1.00 0.00 O ATOM 360 CB VAL A 27 6.928 -2.236 10.946 1.00 0.00 C ATOM 361 CG1 VAL A 27 6.072 -1.680 9.818 1.00 0.00 C ATOM 362 CG2 VAL A 27 6.014 -2.918 11.952 1.00 0.00 C ATOM 0 H VAL A 27 8.902 -3.061 12.260 1.00 0.00 H new ATOM 0 HA VAL A 27 7.454 -4.135 10.051 1.00 0.00 H new ATOM 0 HB VAL A 27 7.473 -1.426 11.431 1.00 0.00 H new ATOM 0 HG11 VAL A 27 5.346 -0.976 10.225 1.00 0.00 H new ATOM 0 HG12 VAL A 27 6.709 -1.168 9.096 1.00 0.00 H new ATOM 0 HG13 VAL A 27 5.547 -2.497 9.323 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.289 -2.198 12.331 1.00 0.00 H new ATOM 0 HG22 VAL A 27 5.489 -3.741 11.467 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.608 -3.305 12.780 1.00 0.00 H new ATOM 372 N GLY A 28 9.804 -1.908 9.572 1.00 0.00 N ATOM 373 CA GLY A 28 10.619 -1.210 8.583 1.00 0.00 C ATOM 374 C GLY A 28 11.418 -2.204 7.755 1.00 0.00 C ATOM 375 O GLY A 28 11.820 -1.916 6.629 1.00 0.00 O ATOM 0 H GLY A 28 10.162 -1.846 10.525 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.980 -0.615 7.931 1.00 0.00 H new ATOM 0 HA3 GLY A 28 11.296 -0.518 9.084 1.00 0.00 H new ATOM 379 N ALA A 29 11.643 -3.382 8.331 1.00 0.00 N ATOM 380 CA ALA A 29 12.395 -4.443 7.669 1.00 0.00 C ATOM 381 C ALA A 29 11.482 -5.257 6.764 1.00 0.00 C ATOM 382 O ALA A 29 11.899 -5.749 5.717 1.00 0.00 O ATOM 383 CB ALA A 29 13.012 -5.377 8.699 1.00 0.00 C ATOM 0 H ALA A 29 11.311 -3.627 9.264 1.00 0.00 H new ATOM 0 HA ALA A 29 13.181 -3.976 7.076 1.00 0.00 H new ATOM 0 HB1 ALA A 29 13.570 -6.163 8.190 1.00 0.00 H new ATOM 0 HB2 ALA A 29 13.686 -4.813 9.344 1.00 0.00 H new ATOM 0 HB3 ALA A 29 12.223 -5.825 9.303 1.00 0.00 H new ATOM 389 N LEU A 30 10.228 -5.390 7.185 1.00 0.00 N ATOM 390 CA LEU A 30 9.228 -6.141 6.430 1.00 0.00 C ATOM 391 C LEU A 30 9.119 -5.605 5.012 1.00 0.00 C ATOM 392 O LEU A 30 8.819 -6.343 4.075 1.00 0.00 O ATOM 393 CB LEU A 30 7.856 -6.027 7.097 1.00 0.00 C ATOM 394 CG LEU A 30 7.687 -6.758 8.430 1.00 0.00 C ATOM 395 CD1 LEU A 30 6.327 -6.457 9.041 1.00 0.00 C ATOM 396 CD2 LEU A 30 7.799 -8.262 8.236 1.00 0.00 C ATOM 0 H LEU A 30 9.877 -4.984 8.052 1.00 0.00 H new ATOM 0 HA LEU A 30 9.543 -7.184 6.408 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.640 -4.971 7.256 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.106 -6.404 6.402 1.00 0.00 H new ATOM 0 HG LEU A 30 8.477 -6.409 9.095 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.228 -6.987 9.988 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.235 -5.385 9.214 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.542 -6.783 8.359 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.676 -8.763 9.196 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.023 -8.599 7.549 1.00 0.00 H new ATOM 0 HD23 LEU A 30 8.779 -8.504 7.824 1.00 0.00 H new ATOM 408 N VAL A 31 9.368 -4.307 4.867 1.00 0.00 N ATOM 409 CA VAL A 31 9.305 -3.640 3.569 1.00 0.00 C ATOM 410 C VAL A 31 10.207 -4.341 2.567 1.00 0.00 C ATOM 411 O VAL A 31 9.894 -4.427 1.381 1.00 0.00 O ATOM 412 CB VAL A 31 9.757 -2.171 3.667 1.00 0.00 C ATOM 413 CG1 VAL A 31 9.903 -1.565 2.279 1.00 0.00 C ATOM 414 CG2 VAL A 31 8.739 -1.351 4.445 1.00 0.00 C ATOM 0 H VAL A 31 9.618 -3.690 5.640 1.00 0.00 H new ATOM 0 HA VAL A 31 8.266 -3.680 3.242 1.00 0.00 H new ATOM 0 HB VAL A 31 10.718 -2.153 4.182 1.00 0.00 H new ATOM 0 HG11 VAL A 31 10.223 -0.527 2.367 1.00 0.00 H new ATOM 0 HG12 VAL A 31 10.646 -2.127 1.713 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.945 -1.607 1.761 1.00 0.00 H new ATOM 0 HG21 VAL A 31 9.075 -0.316 4.504 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.775 -1.391 3.938 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.637 -1.758 5.451 1.00 0.00 H new ATOM 424 N ILE A 32 11.336 -4.841 3.061 1.00 0.00 N ATOM 425 CA ILE A 32 12.309 -5.543 2.228 1.00 0.00 C ATOM 426 C ILE A 32 11.715 -6.835 1.690 1.00 0.00 C ATOM 427 O ILE A 32 11.894 -7.180 0.523 1.00 0.00 O ATOM 428 CB ILE A 32 13.579 -5.900 3.023 1.00 0.00 C ATOM 429 CG1 ILE A 32 14.336 -4.631 3.417 1.00 0.00 C ATOM 430 CG2 ILE A 32 14.502 -6.773 2.187 1.00 0.00 C ATOM 431 CD1 ILE A 32 15.457 -4.870 4.404 1.00 0.00 C ATOM 0 H ILE A 32 11.602 -4.772 4.043 1.00 0.00 H new ATOM 0 HA ILE A 32 12.569 -4.872 1.410 1.00 0.00 H new ATOM 0 HB ILE A 32 13.272 -6.440 3.918 1.00 0.00 H new ATOM 0 HG12 ILE A 32 14.748 -4.171 2.519 1.00 0.00 H new ATOM 0 HG13 ILE A 32 13.632 -3.918 3.846 1.00 0.00 H new ATOM 0 HG21 ILE A 32 15.394 -7.016 2.764 1.00 0.00 H new ATOM 0 HG22 ILE A 32 13.985 -7.693 1.914 1.00 0.00 H new ATOM 0 HG23 ILE A 32 14.789 -6.237 1.283 1.00 0.00 H new ATOM 0 HD11 ILE A 32 15.946 -3.924 4.635 1.00 0.00 H new ATOM 0 HD12 ILE A 32 15.050 -5.301 5.319 1.00 0.00 H new ATOM 0 HD13 ILE A 32 16.183 -5.558 3.970 1.00 0.00 H new ATOM 443 N LEU A 33 11.003 -7.546 2.560 1.00 0.00 N ATOM 444 CA LEU A 33 10.368 -8.810 2.199 1.00 0.00 C ATOM 445 C LEU A 33 9.332 -8.592 1.108 1.00 0.00 C ATOM 446 O LEU A 33 9.301 -9.308 0.108 1.00 0.00 O ATOM 447 CB LEU A 33 9.670 -9.425 3.414 1.00 0.00 C ATOM 448 CG LEU A 33 10.581 -9.999 4.501 1.00 0.00 C ATOM 449 CD1 LEU A 33 9.764 -10.458 5.699 1.00 0.00 C ATOM 450 CD2 LEU A 33 11.363 -11.192 3.972 1.00 0.00 C ATOM 0 H LEU A 33 10.851 -7.265 3.529 1.00 0.00 H new ATOM 0 HA LEU A 33 11.147 -9.483 1.840 1.00 0.00 H new ATOM 0 HB2 LEU A 33 9.036 -8.663 3.867 1.00 0.00 H new ATOM 0 HB3 LEU A 33 9.012 -10.220 3.064 1.00 0.00 H new ATOM 0 HG LEU A 33 11.269 -9.209 4.802 1.00 0.00 H new ATOM 0 HD11 LEU A 33 10.431 -10.863 6.460 1.00 0.00 H new ATOM 0 HD12 LEU A 33 9.215 -9.611 6.111 1.00 0.00 H new ATOM 0 HD13 LEU A 33 9.060 -11.229 5.386 1.00 0.00 H new ATOM 0 HD21 LEU A 33 12.005 -11.585 4.761 1.00 0.00 H new ATOM 0 HD22 LEU A 33 10.669 -11.968 3.649 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.977 -10.879 3.127 1.00 0.00 H new ATOM 462 N ALA A 34 8.483 -7.591 1.314 1.00 0.00 N ATOM 463 CA ALA A 34 7.429 -7.253 0.360 1.00 0.00 C ATOM 464 C ALA A 34 8.027 -6.912 -0.995 1.00 0.00 C ATOM 465 O ALA A 34 7.507 -7.305 -2.038 1.00 0.00 O ATOM 466 CB ALA A 34 6.634 -6.053 0.852 1.00 0.00 C ATOM 0 H ALA A 34 8.504 -6.994 2.141 1.00 0.00 H new ATOM 0 HA ALA A 34 6.773 -8.119 0.266 1.00 0.00 H new ATOM 0 HB1 ALA A 34 5.853 -5.814 0.131 1.00 0.00 H new ATOM 0 HB2 ALA A 34 6.180 -6.287 1.815 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.299 -5.197 0.964 1.00 0.00 H new ATOM 472 N VAL A 35 9.132 -6.172 -0.966 1.00 0.00 N ATOM 473 CA VAL A 35 9.827 -5.760 -2.182 1.00 0.00 C ATOM 474 C VAL A 35 10.192 -6.972 -3.023 1.00 0.00 C ATOM 475 O VAL A 35 10.028 -6.973 -4.242 1.00 0.00 O ATOM 476 CB VAL A 35 11.126 -4.999 -1.859 1.00 0.00 C ATOM 477 CG1 VAL A 35 11.935 -4.764 -3.126 1.00 0.00 C ATOM 478 CG2 VAL A 35 10.812 -3.649 -1.233 1.00 0.00 C ATOM 0 H VAL A 35 9.569 -5.843 -0.105 1.00 0.00 H new ATOM 0 HA VAL A 35 9.148 -5.106 -2.729 1.00 0.00 H new ATOM 0 HB VAL A 35 11.701 -5.606 -1.160 1.00 0.00 H new ATOM 0 HG11 VAL A 35 12.850 -4.225 -2.879 1.00 0.00 H new ATOM 0 HG12 VAL A 35 12.190 -5.723 -3.578 1.00 0.00 H new ATOM 0 HG13 VAL A 35 11.346 -4.176 -3.830 1.00 0.00 H new ATOM 0 HG21 VAL A 35 11.742 -3.125 -1.012 1.00 0.00 H new ATOM 0 HG22 VAL A 35 10.218 -3.055 -1.928 1.00 0.00 H new ATOM 0 HG23 VAL A 35 10.251 -3.797 -0.311 1.00 0.00 H new ATOM 488 N ALA A 36 10.690 -8.007 -2.353 1.00 0.00 N ATOM 489 CA ALA A 36 11.090 -9.246 -3.015 1.00 0.00 C ATOM 490 C ALA A 36 9.882 -9.935 -3.629 1.00 0.00 C ATOM 491 O ALA A 36 9.917 -10.376 -4.777 1.00 0.00 O ATOM 492 CB ALA A 36 11.732 -10.197 -2.017 1.00 0.00 C ATOM 0 H ALA A 36 10.827 -8.012 -1.342 1.00 0.00 H new ATOM 0 HA ALA A 36 11.806 -8.991 -3.796 1.00 0.00 H new ATOM 0 HB1 ALA A 36 12.024 -11.115 -2.526 1.00 0.00 H new ATOM 0 HB2 ALA A 36 12.614 -9.727 -1.582 1.00 0.00 H new ATOM 0 HB3 ALA A 36 11.019 -10.431 -1.227 1.00 0.00 H new ATOM 498 N GLY A 37 8.810 -10.021 -2.847 1.00 0.00 N ATOM 499 CA GLY A 37 7.570 -10.653 -3.288 1.00 0.00 C ATOM 500 C GLY A 37 7.153 -10.114 -4.647 1.00 0.00 C ATOM 501 O GLY A 37 7.037 -10.859 -5.619 1.00 0.00 O ATOM 0 H GLY A 37 8.776 -9.657 -1.895 1.00 0.00 H new ATOM 0 HA2 GLY A 37 7.705 -11.733 -3.344 1.00 0.00 H new ATOM 0 HA3 GLY A 37 6.781 -10.468 -2.559 1.00 0.00 H new ATOM 505 N LEU A 38 6.928 -8.805 -4.701 1.00 0.00 N ATOM 506 CA LEU A 38 6.520 -8.133 -5.932 1.00 0.00 C ATOM 507 C LEU A 38 7.575 -8.314 -7.011 1.00 0.00 C ATOM 508 O LEU A 38 7.258 -8.514 -8.182 1.00 0.00 O ATOM 509 CB LEU A 38 6.330 -6.635 -5.687 1.00 0.00 C ATOM 510 CG LEU A 38 5.117 -6.234 -4.846 1.00 0.00 C ATOM 511 CD1 LEU A 38 5.121 -4.737 -4.575 1.00 0.00 C ATOM 512 CD2 LEU A 38 3.824 -6.582 -5.567 1.00 0.00 C ATOM 0 H LEU A 38 7.022 -8.183 -3.899 1.00 0.00 H new ATOM 0 HA LEU A 38 5.579 -8.576 -6.257 1.00 0.00 H new ATOM 0 HB2 LEU A 38 7.226 -6.252 -5.199 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.256 -6.137 -6.654 1.00 0.00 H new ATOM 0 HG LEU A 38 5.178 -6.782 -3.906 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.250 -4.473 -3.975 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.028 -4.468 -4.035 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.088 -4.196 -5.521 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.974 -6.288 -4.951 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.784 -6.051 -6.518 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.787 -7.656 -5.749 1.00 0.00 H new ATOM 524 N ILE A 39 8.837 -8.241 -6.600 1.00 0.00 N ATOM 525 CA ILE A 39 9.966 -8.394 -7.513 1.00 0.00 C ATOM 526 C ILE A 39 9.909 -9.744 -8.208 1.00 0.00 C ATOM 527 O ILE A 39 10.119 -9.847 -9.416 1.00 0.00 O ATOM 528 CB ILE A 39 11.311 -8.301 -6.768 1.00 0.00 C ATOM 529 CG1 ILE A 39 11.527 -6.885 -6.231 1.00 0.00 C ATOM 530 CG2 ILE A 39 12.462 -8.643 -7.702 1.00 0.00 C ATOM 531 CD1 ILE A 39 11.566 -5.823 -7.309 1.00 0.00 C ATOM 0 H ILE A 39 9.106 -8.075 -5.630 1.00 0.00 H new ATOM 0 HA ILE A 39 9.896 -7.586 -8.241 1.00 0.00 H new ATOM 0 HB ILE A 39 11.284 -9.010 -5.941 1.00 0.00 H new ATOM 0 HG12 ILE A 39 10.729 -6.647 -5.528 1.00 0.00 H new ATOM 0 HG13 ILE A 39 12.462 -6.857 -5.672 1.00 0.00 H new ATOM 0 HG21 ILE A 39 13.404 -8.572 -7.159 1.00 0.00 H new ATOM 0 HG22 ILE A 39 12.336 -9.658 -8.079 1.00 0.00 H new ATOM 0 HG23 ILE A 39 12.472 -7.944 -8.538 1.00 0.00 H new ATOM 0 HD11 ILE A 39 11.722 -4.846 -6.852 1.00 0.00 H new ATOM 0 HD12 ILE A 39 12.382 -6.035 -7.999 1.00 0.00 H new ATOM 0 HD13 ILE A 39 10.622 -5.822 -7.853 1.00 0.00 H new ATOM 543 N TYR A 40 9.622 -10.781 -7.426 1.00 0.00 N ATOM 544 CA TYR A 40 9.530 -12.144 -7.941 1.00 0.00 C ATOM 545 C TYR A 40 8.316 -12.293 -8.842 1.00 0.00 C ATOM 546 O TYR A 40 8.379 -12.927 -9.894 1.00 0.00 O ATOM 547 CB TYR A 40 9.403 -13.144 -6.790 1.00 0.00 C ATOM 548 CG TYR A 40 9.328 -14.587 -7.238 1.00 0.00 C ATOM 549 CD1 TYR A 40 10.473 -15.270 -7.628 1.00 0.00 C ATOM 550 CD2 TYR A 40 8.114 -15.260 -7.268 1.00 0.00 C ATOM 551 CE1 TYR A 40 10.414 -16.588 -8.039 1.00 0.00 C ATOM 552 CE2 TYR A 40 8.036 -16.578 -7.675 1.00 0.00 C ATOM 553 CZ TYR A 40 9.200 -17.241 -8.062 1.00 0.00 C ATOM 554 OH TYR A 40 9.139 -18.553 -8.470 1.00 0.00 O ATOM 0 H TYR A 40 9.448 -10.702 -6.424 1.00 0.00 H new ATOM 0 HA TYR A 40 10.438 -12.346 -8.509 1.00 0.00 H new ATOM 0 HB2 TYR A 40 10.256 -13.025 -6.122 1.00 0.00 H new ATOM 0 HB3 TYR A 40 8.510 -12.906 -6.212 1.00 0.00 H new ATOM 0 HD1 TYR A 40 11.426 -14.762 -7.610 1.00 0.00 H new ATOM 0 HD2 TYR A 40 7.214 -14.744 -6.968 1.00 0.00 H new ATOM 0 HE1 TYR A 40 11.314 -17.104 -8.340 1.00 0.00 H new ATOM 0 HE2 TYR A 40 7.085 -17.089 -7.693 1.00 0.00 H new ATOM 0 HH TYR A 40 8.211 -18.866 -8.427 1.00 0.00 H new ATOM 564 N SER A 41 7.206 -11.698 -8.414 1.00 0.00 N ATOM 565 CA SER A 41 5.956 -11.747 -9.165 1.00 0.00 C ATOM 566 C SER A 41 6.137 -11.131 -10.543 1.00 0.00 C ATOM 567 O SER A 41 5.769 -11.722 -11.557 1.00 0.00 O ATOM 568 CB SER A 41 4.859 -10.974 -8.431 1.00 0.00 C ATOM 569 OG SER A 41 4.529 -11.598 -7.202 1.00 0.00 O ATOM 0 H SER A 41 7.148 -11.172 -7.542 1.00 0.00 H new ATOM 0 HA SER A 41 5.669 -12.794 -9.263 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.191 -9.953 -8.246 1.00 0.00 H new ATOM 0 HB3 SER A 41 3.971 -10.911 -9.060 1.00 0.00 H new ATOM 0 HG SER A 41 5.246 -11.442 -6.553 1.00 0.00 H new ATOM 575 N MET A 42 6.711 -9.932 -10.565 1.00 0.00 N ATOM 576 CA MET A 42 6.956 -9.207 -11.809 1.00 0.00 C ATOM 577 C MET A 42 7.942 -9.966 -12.682 1.00 0.00 C ATOM 578 O MET A 42 7.778 -10.055 -13.898 1.00 0.00 O ATOM 579 CB MET A 42 7.536 -7.822 -11.517 1.00 0.00 C ATOM 580 CG MET A 42 7.745 -6.963 -12.753 1.00 0.00 C ATOM 581 SD MET A 42 8.399 -5.328 -12.362 1.00 0.00 S ATOM 582 CE MET A 42 10.069 -5.742 -11.866 1.00 0.00 C ATOM 0 H MET A 42 7.018 -9.437 -9.727 1.00 0.00 H new ATOM 0 HA MET A 42 6.003 -9.107 -12.328 1.00 0.00 H new ATOM 0 HB2 MET A 42 6.869 -7.298 -10.832 1.00 0.00 H new ATOM 0 HB3 MET A 42 8.491 -7.940 -11.004 1.00 0.00 H new ATOM 0 HG2 MET A 42 8.430 -7.471 -13.432 1.00 0.00 H new ATOM 0 HG3 MET A 42 6.797 -6.854 -13.279 1.00 0.00 H new ATOM 0 HE1 MET A 42 10.674 -4.836 -11.833 1.00 0.00 H new ATOM 0 HE2 MET A 42 10.052 -6.202 -10.878 1.00 0.00 H new ATOM 0 HE3 MET A 42 10.499 -6.440 -12.584 1.00 0.00 H new ATOM 592 N LEU A 43 8.972 -10.513 -12.043 1.00 0.00 N ATOM 593 CA LEU A 43 10.006 -11.274 -12.737 1.00 0.00 C ATOM 594 C LEU A 43 9.485 -12.647 -13.128 1.00 0.00 C ATOM 595 O LEU A 43 9.762 -13.147 -14.217 1.00 0.00 O ATOM 596 CB LEU A 43 11.230 -11.460 -11.837 1.00 0.00 C ATOM 597 CG LEU A 43 12.064 -10.207 -11.561 1.00 0.00 C ATOM 598 CD1 LEU A 43 13.167 -10.507 -10.557 1.00 0.00 C ATOM 599 CD2 LEU A 43 12.710 -9.699 -12.840 1.00 0.00 C ATOM 0 H LEU A 43 9.113 -10.442 -11.035 1.00 0.00 H new ATOM 0 HA LEU A 43 10.285 -10.716 -13.631 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.895 -11.865 -10.882 1.00 0.00 H new ATOM 0 HB3 LEU A 43 11.878 -12.209 -12.291 1.00 0.00 H new ATOM 0 HG LEU A 43 11.392 -9.449 -11.159 1.00 0.00 H new ATOM 0 HD11 LEU A 43 13.748 -9.603 -10.374 1.00 0.00 H new ATOM 0 HD12 LEU A 43 12.724 -10.849 -9.621 1.00 0.00 H new ATOM 0 HD13 LEU A 43 13.820 -11.284 -10.955 1.00 0.00 H new ATOM 0 HD21 LEU A 43 13.298 -8.808 -12.621 1.00 0.00 H new ATOM 0 HD22 LEU A 43 13.360 -10.471 -13.251 1.00 0.00 H new ATOM 0 HD23 LEU A 43 11.935 -9.453 -13.566 1.00 0.00 H new ATOM 611 N ARG A 44 8.723 -13.252 -12.222 1.00 0.00 N ATOM 612 CA ARG A 44 8.145 -14.574 -12.445 1.00 0.00 C ATOM 613 C ARG A 44 6.870 -14.466 -13.266 1.00 0.00 C ATOM 614 O ARG A 44 6.549 -15.347 -14.062 1.00 0.00 O ATOM 615 CB ARG A 44 7.806 -15.243 -11.111 1.00 0.00 C ATOM 616 CG ARG A 44 7.282 -16.663 -11.244 1.00 0.00 C ATOM 617 CD ARG A 44 8.357 -17.601 -11.769 1.00 0.00 C ATOM 618 NE ARG A 44 7.874 -18.975 -11.888 1.00 0.00 N ATOM 619 CZ ARG A 44 8.552 -19.957 -12.473 1.00 0.00 C ATOM 620 NH1 ARG A 44 9.746 -19.718 -12.997 1.00 0.00 N ATOM 621 NH2 ARG A 44 8.033 -21.176 -12.534 1.00 0.00 N ATOM 0 H ARG A 44 8.489 -12.843 -11.317 1.00 0.00 H new ATOM 0 HA ARG A 44 8.881 -15.172 -12.982 1.00 0.00 H new ATOM 0 HB2 ARG A 44 8.698 -15.254 -10.485 1.00 0.00 H new ATOM 0 HB3 ARG A 44 7.061 -14.639 -10.593 1.00 0.00 H new ATOM 0 HG2 ARG A 44 6.930 -17.016 -10.274 1.00 0.00 H new ATOM 0 HG3 ARG A 44 6.425 -16.675 -11.917 1.00 0.00 H new ATOM 0 HD2 ARG A 44 8.699 -17.251 -12.743 1.00 0.00 H new ATOM 0 HD3 ARG A 44 9.218 -17.576 -11.101 1.00 0.00 H new ATOM 0 HE ARG A 44 6.958 -19.194 -11.497 1.00 0.00 H new ATOM 0 HH11 ARG A 44 10.145 -18.780 -12.951 1.00 0.00 H new ATOM 0 HH12 ARG A 44 10.266 -20.472 -13.446 1.00 0.00 H new ATOM 0 HH21 ARG A 44 7.114 -21.360 -12.132 1.00 0.00 H new ATOM 0 HH22 ARG A 44 8.553 -21.930 -12.983 1.00 0.00 H new ATOM 635 N LYS A 45 6.145 -13.370 -13.060 1.00 0.00 N ATOM 636 CA LYS A 45 4.895 -13.117 -13.770 1.00 0.00 C ATOM 637 C LYS A 45 5.171 -12.733 -15.214 1.00 0.00 C ATOM 638 O LYS A 45 4.539 -13.242 -16.139 1.00 0.00 O ATOM 639 CB LYS A 45 4.123 -11.975 -13.105 1.00 0.00 C ATOM 640 CG LYS A 45 2.779 -11.678 -13.750 1.00 0.00 C ATOM 641 CD LYS A 45 2.043 -10.574 -13.007 1.00 0.00 C ATOM 642 CE LYS A 45 0.705 -10.266 -13.660 1.00 0.00 C ATOM 643 NZ LYS A 45 -0.032 -9.195 -12.936 1.00 0.00 N ATOM 0 H LYS A 45 6.405 -12.637 -12.401 1.00 0.00 H new ATOM 0 HA LYS A 45 4.304 -14.032 -13.737 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.964 -12.221 -12.055 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.734 -11.073 -13.132 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.929 -11.383 -14.789 1.00 0.00 H new ATOM 0 HG3 LYS A 45 2.170 -12.582 -13.760 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.884 -10.873 -11.971 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.657 -9.673 -12.988 1.00 0.00 H new ATOM 0 HE2 LYS A 45 0.867 -9.960 -14.694 1.00 0.00 H new ATOM 0 HE3 LYS A 45 0.097 -11.170 -13.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.939 -9.015 -13.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.210 -9.497 -11.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 0.536 -8.324 -12.932 1.00 0.00 H new ATOM 657 N ALA A 46 6.126 -11.826 -15.395 1.00 0.00 N ATOM 658 CA ALA A 46 6.510 -11.351 -16.721 1.00 0.00 C ATOM 659 C ALA A 46 7.626 -10.323 -16.598 1.00 0.00 C ATOM 660 O ALA A 46 8.067 -10.011 -15.494 1.00 0.00 O ATOM 661 CB ALA A 46 5.293 -10.746 -17.416 1.00 0.00 C ATOM 0 H ALA A 46 6.653 -11.401 -14.632 1.00 0.00 H new ATOM 0 HA ALA A 46 6.876 -12.186 -17.318 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.579 -10.391 -18.406 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.515 -11.503 -17.512 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.915 -9.911 -16.826 1.00 0.00 H new TER 667 ALA A 46