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= -1.89 K(o=-3.2,f=-1.1) USER MOD Set 1.2: A 19 MET CE :methyl -176:sc= -1.27 (180deg=-0.349) USER MOD Single : A 1 GLY N :NH3+ -132:sc= 0.198 (180deg=-0.659) USER MOD Single : A 5 THR OG1 : rot -12:sc= 0.298 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 66:sc= 0.871 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 73:sc= 0.296 USER MOD Single : A 42 MET CE :methyl 166:sc=-0.00946 (180deg=-0.252) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 30.861 -17.345 85.772 1.00 0.00 N ATOM 2 CA GLY A 1 32.164 -17.978 85.815 1.00 0.00 C ATOM 3 C GLY A 1 32.289 -18.987 84.685 1.00 0.00 C ATOM 4 O GLY A 1 31.363 -19.170 83.898 1.00 0.00 O ATOM 0 H1 GLY A 1 30.973 -16.314 85.853 1.00 0.00 H new ATOM 0 H2 GLY A 1 30.394 -17.573 84.871 1.00 0.00 H new ATOM 0 H3 GLY A 1 30.280 -17.693 86.561 1.00 0.00 H new ATOM 0 HA2 GLY A 1 32.947 -17.224 85.729 1.00 0.00 H new ATOM 0 HA3 GLY A 1 32.304 -18.475 86.775 1.00 0.00 H new ATOM 8 N VAL A 2 33.449 -19.636 84.620 1.00 0.00 N ATOM 9 CA VAL A 2 33.726 -20.637 83.594 1.00 0.00 C ATOM 10 C VAL A 2 32.888 -21.884 83.825 1.00 0.00 C ATOM 11 O VAL A 2 32.316 -22.447 82.893 1.00 0.00 O ATOM 12 CB VAL A 2 35.208 -21.056 83.599 1.00 0.00 C ATOM 13 CG1 VAL A 2 35.434 -22.227 82.656 1.00 0.00 C ATOM 14 CG2 VAL A 2 36.090 -19.900 83.151 1.00 0.00 C ATOM 0 H VAL A 2 34.218 -19.484 85.272 1.00 0.00 H new ATOM 0 HA VAL A 2 33.479 -20.182 82.635 1.00 0.00 H new ATOM 0 HB VAL A 2 35.467 -21.346 84.617 1.00 0.00 H new ATOM 0 HG11 VAL A 2 36.487 -22.509 82.672 1.00 0.00 H new ATOM 0 HG12 VAL A 2 34.826 -23.074 82.975 1.00 0.00 H new ATOM 0 HG13 VAL A 2 35.152 -21.939 81.644 1.00 0.00 H new ATOM 0 HG21 VAL A 2 37.134 -20.214 83.161 1.00 0.00 H new ATOM 0 HG22 VAL A 2 35.811 -19.599 82.141 1.00 0.00 H new ATOM 0 HG23 VAL A 2 35.958 -19.057 83.830 1.00 0.00 H new ATOM 24 N ILE A 3 32.823 -22.307 85.084 1.00 0.00 N ATOM 25 CA ILE A 3 32.059 -23.489 85.471 1.00 0.00 C ATOM 26 C ILE A 3 30.572 -23.253 85.263 1.00 0.00 C ATOM 27 O ILE A 3 29.844 -24.139 84.819 1.00 0.00 O ATOM 28 CB ILE A 3 32.279 -23.843 86.953 1.00 0.00 C ATOM 29 CG1 ILE A 3 33.723 -24.293 87.185 1.00 0.00 C ATOM 30 CG2 ILE A 3 31.350 -24.970 87.376 1.00 0.00 C ATOM 31 CD1 ILE A 3 34.095 -24.423 88.646 1.00 0.00 C ATOM 0 H ILE A 3 33.295 -21.844 85.860 1.00 0.00 H new ATOM 0 HA ILE A 3 32.408 -24.310 84.845 1.00 0.00 H new ATOM 0 HB ILE A 3 32.069 -22.951 87.543 1.00 0.00 H new ATOM 0 HG12 ILE A 3 33.878 -25.253 86.693 1.00 0.00 H new ATOM 0 HG13 ILE A 3 34.397 -23.580 86.710 1.00 0.00 H new ATOM 0 HG21 ILE A 3 31.520 -25.207 88.426 1.00 0.00 H new ATOM 0 HG22 ILE A 3 30.314 -24.660 87.237 1.00 0.00 H new ATOM 0 HG23 ILE A 3 31.549 -25.853 86.768 1.00 0.00 H new ATOM 0 HD11 ILE A 3 35.133 -24.746 88.730 1.00 0.00 H new ATOM 0 HD12 ILE A 3 33.974 -23.459 89.140 1.00 0.00 H new ATOM 0 HD13 ILE A 3 33.447 -25.158 89.122 1.00 0.00 H new ATOM 43 N ASP A 4 30.131 -22.042 85.591 1.00 0.00 N ATOM 44 CA ASP A 4 28.730 -21.659 85.451 1.00 0.00 C ATOM 45 C ASP A 4 28.233 -21.961 84.046 1.00 0.00 C ATOM 46 O ASP A 4 27.112 -22.430 83.855 1.00 0.00 O ATOM 47 CB ASP A 4 28.555 -20.162 85.714 1.00 0.00 C ATOM 48 CG ASP A 4 28.730 -19.803 87.177 1.00 0.00 C ATOM 49 OD1 ASP A 4 28.465 -18.638 87.539 1.00 0.00 O ATOM 50 OD2 ASP A 4 29.131 -20.688 87.962 1.00 0.00 O ATOM 0 H ASP A 4 30.730 -21.303 85.959 1.00 0.00 H new ATOM 0 HA ASP A 4 28.155 -22.232 86.178 1.00 0.00 H new ATOM 0 HB2 ASP A 4 29.278 -19.605 85.118 1.00 0.00 H new ATOM 0 HB3 ASP A 4 27.564 -19.852 85.384 1.00 0.00 H new ATOM 56 N THR A 5 29.085 -21.683 83.063 1.00 0.00 N ATOM 57 CA THR A 5 28.759 -21.915 81.659 1.00 0.00 C ATOM 58 C THR A 5 29.283 -23.269 81.208 1.00 0.00 C ATOM 59 O THR A 5 29.096 -23.674 80.062 1.00 0.00 O ATOM 60 CB THR A 5 29.382 -20.839 80.750 1.00 0.00 C ATOM 61 OG1 THR A 5 30.809 -20.880 80.865 1.00 0.00 O ATOM 62 CG2 THR A 5 28.895 -19.455 81.151 1.00 0.00 C ATOM 0 H THR A 5 30.015 -21.293 83.216 1.00 0.00 H new ATOM 0 HA THR A 5 27.673 -21.878 81.575 1.00 0.00 H new ATOM 0 HB THR A 5 29.083 -21.040 79.721 1.00 0.00 H new ATOM 0 HG1 THR A 5 31.060 -21.439 81.630 1.00 0.00 H new ATOM 0 HG21 THR A 5 29.345 -18.707 80.498 1.00 0.00 H new ATOM 0 HG22 THR A 5 27.810 -19.410 81.059 1.00 0.00 H new ATOM 0 HG23 THR A 5 29.180 -19.254 82.184 1.00 0.00 H new ATOM 70 N SER A 6 29.943 -23.966 82.129 1.00 0.00 N ATOM 71 CA SER A 6 30.508 -25.283 81.853 1.00 0.00 C ATOM 72 C SER A 6 29.477 -26.176 81.181 1.00 0.00 C ATOM 73 O SER A 6 29.677 -26.650 80.064 1.00 0.00 O ATOM 74 CB SER A 6 30.957 -25.956 83.151 1.00 0.00 C ATOM 75 OG SER A 6 31.500 -27.241 82.899 1.00 0.00 O ATOM 0 H SER A 6 30.100 -23.636 83.081 1.00 0.00 H new ATOM 0 HA SER A 6 31.364 -25.144 81.192 1.00 0.00 H new ATOM 0 HB2 SER A 6 31.702 -25.334 83.648 1.00 0.00 H new ATOM 0 HB3 SER A 6 30.110 -26.043 83.831 1.00 0.00 H new ATOM 0 HG SER A 6 31.781 -27.649 83.745 1.00 0.00 H new ATOM 81 N ALA A 7 28.367 -26.398 81.880 1.00 0.00 N ATOM 82 CA ALA A 7 27.281 -27.232 81.374 1.00 0.00 C ATOM 83 C ALA A 7 26.730 -26.661 80.077 1.00 0.00 C ATOM 84 O ALA A 7 26.442 -27.393 79.131 1.00 0.00 O ATOM 85 CB ALA A 7 26.150 -27.302 82.388 1.00 0.00 C ATOM 0 H ALA A 7 28.196 -26.008 82.807 1.00 0.00 H new ATOM 0 HA ALA A 7 27.682 -28.230 81.196 1.00 0.00 H new ATOM 0 HB1 ALA A 7 25.348 -27.927 81.996 1.00 0.00 H new ATOM 0 HB2 ALA A 7 26.522 -27.730 83.319 1.00 0.00 H new ATOM 0 HB3 ALA A 7 25.768 -26.299 82.577 1.00 0.00 H new ATOM 91 N VAL A 8 26.588 -25.339 80.046 1.00 0.00 N ATOM 92 CA VAL A 8 26.073 -24.638 78.874 1.00 0.00 C ATOM 93 C VAL A 8 27.004 -24.828 77.688 1.00 0.00 C ATOM 94 O VAL A 8 26.561 -25.041 76.560 1.00 0.00 O ATOM 95 CB VAL A 8 25.940 -23.126 79.134 1.00 0.00 C ATOM 96 CG1 VAL A 8 25.605 -22.391 77.845 1.00 0.00 C ATOM 97 CG2 VAL A 8 24.836 -22.854 80.144 1.00 0.00 C ATOM 0 H VAL A 8 26.825 -24.727 80.827 1.00 0.00 H new ATOM 0 HA VAL A 8 25.091 -25.059 78.660 1.00 0.00 H new ATOM 0 HB VAL A 8 26.894 -22.771 79.525 1.00 0.00 H new ATOM 0 HG11 VAL A 8 25.515 -21.324 78.048 1.00 0.00 H new ATOM 0 HG12 VAL A 8 26.398 -22.556 77.115 1.00 0.00 H new ATOM 0 HG13 VAL A 8 24.662 -22.766 77.447 1.00 0.00 H new ATOM 0 HG21 VAL A 8 24.756 -21.781 80.316 1.00 0.00 H new ATOM 0 HG22 VAL A 8 23.889 -23.231 79.758 1.00 0.00 H new ATOM 0 HG23 VAL A 8 25.071 -23.355 81.083 1.00 0.00 H new ATOM 107 N GLU A 9 28.304 -24.748 77.958 1.00 0.00 N ATOM 108 CA GLU A 9 29.326 -24.909 76.928 1.00 0.00 C ATOM 109 C GLU A 9 29.174 -26.251 76.231 1.00 0.00 C ATOM 110 O GLU A 9 29.344 -26.361 75.018 1.00 0.00 O ATOM 111 CB GLU A 9 30.724 -24.841 77.545 1.00 0.00 C ATOM 112 CG GLU A 9 31.855 -24.930 76.533 1.00 0.00 C ATOM 113 CD GLU A 9 33.223 -24.809 77.175 1.00 0.00 C ATOM 114 OE1 GLU A 9 33.286 -24.656 78.413 1.00 0.00 O ATOM 115 OE2 GLU A 9 34.231 -24.865 76.440 1.00 0.00 O ATOM 0 H GLU A 9 28.677 -24.571 78.891 1.00 0.00 H new ATOM 0 HA GLU A 9 29.200 -24.101 76.207 1.00 0.00 H new ATOM 0 HB2 GLU A 9 30.820 -23.907 78.099 1.00 0.00 H new ATOM 0 HB3 GLU A 9 30.831 -25.652 78.266 1.00 0.00 H new ATOM 0 HG2 GLU A 9 31.789 -25.880 76.003 1.00 0.00 H new ATOM 0 HG3 GLU A 9 31.735 -24.142 75.790 1.00 0.00 H new ATOM 123 N SER A 10 28.849 -27.273 77.017 1.00 0.00 N ATOM 124 CA SER A 10 28.665 -28.626 76.501 1.00 0.00 C ATOM 125 C SER A 10 27.278 -28.784 75.900 1.00 0.00 C ATOM 126 O SER A 10 27.119 -29.291 74.791 1.00 0.00 O ATOM 127 CB SER A 10 28.825 -29.654 77.623 1.00 0.00 C ATOM 128 OG SER A 10 30.140 -29.634 78.149 1.00 0.00 O ATOM 0 H SER A 10 28.706 -27.188 78.023 1.00 0.00 H new ATOM 0 HA SER A 10 29.421 -28.794 75.734 1.00 0.00 H new ATOM 0 HB2 SER A 10 28.109 -29.444 78.418 1.00 0.00 H new ATOM 0 HB3 SER A 10 28.597 -30.650 77.243 1.00 0.00 H new ATOM 0 HG SER A 10 30.216 -30.298 78.865 1.00 0.00 H new ATOM 134 N ALA A 11 26.273 -28.340 76.651 1.00 0.00 N ATOM 135 CA ALA A 11 24.881 -28.419 76.216 1.00 0.00 C ATOM 136 C ALA A 11 24.645 -27.512 75.020 1.00 0.00 C ATOM 137 O ALA A 11 23.918 -27.861 74.091 1.00 0.00 O ATOM 138 CB ALA A 11 23.949 -27.989 77.339 1.00 0.00 C ATOM 0 H ALA A 11 26.399 -27.918 77.571 1.00 0.00 H new ATOM 0 HA ALA A 11 24.676 -29.453 75.940 1.00 0.00 H new ATOM 0 HB1 ALA A 11 22.915 -28.053 76.999 1.00 0.00 H new ATOM 0 HB2 ALA A 11 24.089 -28.644 78.199 1.00 0.00 H new ATOM 0 HB3 ALA A 11 24.173 -26.961 77.625 1.00 0.00 H new ATOM 144 N ILE A 12 25.270 -26.339 75.056 1.00 0.00 N ATOM 145 CA ILE A 12 25.146 -25.355 73.985 1.00 0.00 C ATOM 146 C ILE A 12 25.797 -25.870 72.712 1.00 0.00 C ATOM 147 O ILE A 12 25.231 -25.776 71.624 1.00 0.00 O ATOM 148 CB ILE A 12 25.825 -24.025 74.360 1.00 0.00 C ATOM 149 CG1 ILE A 12 25.081 -23.353 75.516 1.00 0.00 C ATOM 150 CG2 ILE A 12 25.827 -23.075 73.172 1.00 0.00 C ATOM 151 CD1 ILE A 12 23.640 -23.017 75.201 1.00 0.00 C ATOM 0 H ILE A 12 25.874 -26.045 75.824 1.00 0.00 H new ATOM 0 HA ILE A 12 24.080 -25.188 73.829 1.00 0.00 H new ATOM 0 HB ILE A 12 26.850 -24.246 74.658 1.00 0.00 H new ATOM 0 HG12 ILE A 12 25.110 -24.010 76.385 1.00 0.00 H new ATOM 0 HG13 ILE A 12 25.606 -22.438 75.791 1.00 0.00 H new ATOM 0 HG21 ILE A 12 26.311 -22.140 73.455 1.00 0.00 H new ATOM 0 HG22 ILE A 12 26.371 -23.529 72.344 1.00 0.00 H new ATOM 0 HG23 ILE A 12 24.801 -22.874 72.865 1.00 0.00 H new ATOM 0 HD11 ILE A 12 23.179 -22.544 76.068 1.00 0.00 H new ATOM 0 HD12 ILE A 12 23.603 -22.334 74.352 1.00 0.00 H new ATOM 0 HD13 ILE A 12 23.099 -23.931 74.956 1.00 0.00 H new ATOM 163 N THR A 13 27.000 -26.418 72.863 1.00 0.00 N ATOM 164 CA THR A 13 27.758 -26.960 71.738 1.00 0.00 C ATOM 165 C THR A 13 27.033 -28.151 71.132 1.00 0.00 C ATOM 166 O THR A 13 26.955 -28.295 69.913 1.00 0.00 O ATOM 167 CB THR A 13 29.158 -27.430 72.175 1.00 0.00 C ATOM 168 OG1 THR A 13 29.903 -26.316 72.682 1.00 0.00 O ATOM 169 CG2 THR A 13 29.910 -28.030 70.997 1.00 0.00 C ATOM 0 H THR A 13 27.475 -26.499 73.762 1.00 0.00 H new ATOM 0 HA THR A 13 27.855 -26.158 71.006 1.00 0.00 H new ATOM 0 HB THR A 13 29.042 -28.187 72.950 1.00 0.00 H new ATOM 0 HG1 THR A 13 29.485 -25.991 73.506 1.00 0.00 H new ATOM 0 HG21 THR A 13 30.897 -28.357 71.324 1.00 0.00 H new ATOM 0 HG22 THR A 13 29.355 -28.884 70.608 1.00 0.00 H new ATOM 0 HG23 THR A 13 30.017 -27.280 70.214 1.00 0.00 H new ATOM 177 N ASP A 14 26.501 -29.005 72.003 1.00 0.00 N ATOM 178 CA ASP A 14 25.774 -30.198 71.581 1.00 0.00 C ATOM 179 C ASP A 14 24.461 -29.814 70.920 1.00 0.00 C ATOM 180 O ASP A 14 24.138 -30.280 69.828 1.00 0.00 O ATOM 181 CB ASP A 14 25.467 -31.092 72.784 1.00 0.00 C ATOM 182 CG ASP A 14 26.704 -31.773 73.335 1.00 0.00 C ATOM 183 OD1 ASP A 14 26.561 -32.633 74.229 1.00 0.00 O ATOM 184 OD2 ASP A 14 27.817 -31.448 72.871 1.00 0.00 O ATOM 0 H ASP A 14 26.561 -28.890 73.015 1.00 0.00 H new ATOM 0 HA ASP A 14 26.402 -30.736 70.871 1.00 0.00 H new ATOM 0 HB2 ASP A 14 25.007 -30.493 73.569 1.00 0.00 H new ATOM 0 HB3 ASP A 14 24.739 -31.849 72.493 1.00 0.00 H new ATOM 190 N GLY A 15 23.705 -28.956 71.598 1.00 0.00 N ATOM 191 CA GLY A 15 22.415 -28.488 71.098 1.00 0.00 C ATOM 192 C GLY A 15 22.607 -27.337 70.123 1.00 0.00 C ATOM 193 O GLY A 15 22.350 -27.467 68.927 1.00 0.00 O ATOM 0 H GLY A 15 23.966 -28.567 72.504 1.00 0.00 H new ATOM 0 HA2 GLY A 15 21.891 -29.307 70.605 1.00 0.00 H new ATOM 0 HA3 GLY A 15 21.791 -28.166 71.931 1.00 0.00 H new ATOM 197 N GLN A 16 23.062 -26.205 70.652 1.00 0.00 N ATOM 198 CA GLN A 16 23.300 -25.009 69.850 1.00 0.00 C ATOM 199 C GLN A 16 24.110 -25.352 68.610 1.00 0.00 C ATOM 200 O GLN A 16 23.709 -25.056 67.486 1.00 0.00 O ATOM 201 CB GLN A 16 24.073 -23.966 70.660 1.00 0.00 C ATOM 202 CG GLN A 16 24.329 -22.666 69.914 1.00 0.00 C ATOM 203 CD GLN A 16 23.050 -21.921 69.587 1.00 0.00 C ATOM 204 OE1 GLN A 16 22.247 -21.627 70.472 1.00 0.00 O ATOM 205 NE2 GLN A 16 22.856 -21.614 68.309 1.00 0.00 N ATOM 0 H GLN A 16 23.275 -26.091 71.643 1.00 0.00 H new ATOM 0 HA GLN A 16 22.330 -24.606 69.558 1.00 0.00 H new ATOM 0 HB2 GLN A 16 23.518 -23.746 71.572 1.00 0.00 H new ATOM 0 HB3 GLN A 16 25.029 -24.393 70.963 1.00 0.00 H new ATOM 0 HG2 GLN A 16 24.974 -22.026 70.517 1.00 0.00 H new ATOM 0 HG3 GLN A 16 24.866 -22.881 68.990 1.00 0.00 H new ATOM 0 HE21 GLN A 16 23.550 -21.879 67.610 1.00 0.00 H new ATOM 0 HE22 GLN A 16 22.013 -21.114 68.027 1.00 0.00 H new ATOM 214 N GLY A 17 25.260 -25.983 68.832 1.00 0.00 N ATOM 215 CA GLY A 17 26.153 -26.381 67.747 1.00 0.00 C ATOM 216 C GLY A 17 25.388 -27.154 66.685 1.00 0.00 C ATOM 217 O GLY A 17 25.514 -26.890 65.491 1.00 0.00 O ATOM 0 H GLY A 17 25.598 -26.231 69.762 1.00 0.00 H new ATOM 0 HA2 GLY A 17 26.611 -25.498 67.303 1.00 0.00 H new ATOM 0 HA3 GLY A 17 26.962 -26.996 68.141 1.00 0.00 H new ATOM 221 N ASP A 18 24.590 -28.118 67.138 1.00 0.00 N ATOM 222 CA ASP A 18 23.789 -28.951 66.246 1.00 0.00 C ATOM 223 C ASP A 18 22.900 -28.086 65.367 1.00 0.00 C ATOM 224 O ASP A 18 22.342 -28.550 64.374 1.00 0.00 O ATOM 225 CB ASP A 18 22.898 -29.897 67.053 1.00 0.00 C ATOM 226 CG ASP A 18 23.687 -30.990 67.747 1.00 0.00 C ATOM 227 OD1 ASP A 18 23.193 -32.136 67.802 1.00 0.00 O ATOM 228 OD2 ASP A 18 24.799 -30.701 68.236 1.00 0.00 O ATOM 0 H ASP A 18 24.481 -28.342 68.127 1.00 0.00 H new ATOM 0 HA ASP A 18 24.474 -29.528 65.625 1.00 0.00 H new ATOM 0 HB2 ASP A 18 22.346 -29.324 67.798 1.00 0.00 H new ATOM 0 HB3 ASP A 18 22.161 -30.351 66.390 1.00 0.00 H new ATOM 234 N MET A 19 22.775 -26.818 65.746 1.00 0.00 N ATOM 235 CA MET A 19 21.957 -25.859 65.009 1.00 0.00 C ATOM 236 C MET A 19 22.528 -25.630 63.619 1.00 0.00 C ATOM 237 O MET A 19 21.795 -25.569 62.633 1.00 0.00 O ATOM 238 CB MET A 19 21.914 -24.516 65.742 1.00 0.00 C ATOM 239 CG MET A 19 21.015 -23.481 65.087 1.00 0.00 C ATOM 240 SD MET A 19 20.981 -21.919 65.989 1.00 0.00 S ATOM 241 CE MET A 19 20.092 -22.400 67.467 1.00 0.00 C ATOM 0 H MET A 19 23.235 -26.427 66.568 1.00 0.00 H new ATOM 0 HA MET A 19 20.951 -26.271 64.932 1.00 0.00 H new ATOM 0 HB2 MET A 19 21.574 -24.683 66.764 1.00 0.00 H new ATOM 0 HB3 MET A 19 22.926 -24.116 65.804 1.00 0.00 H new ATOM 0 HG2 MET A 19 21.358 -23.300 64.068 1.00 0.00 H new ATOM 0 HG3 MET A 19 20.002 -23.878 65.017 1.00 0.00 H new ATOM 0 HE1 MET A 19 19.928 -21.524 68.094 1.00 0.00 H new ATOM 0 HE2 MET A 19 19.131 -22.832 67.189 1.00 0.00 H new ATOM 0 HE3 MET A 19 20.675 -23.137 68.019 1.00 0.00 H new ATOM 251 N LYS A 20 23.850 -25.505 63.554 1.00 0.00 N ATOM 252 CA LYS A 20 24.551 -25.281 62.293 1.00 0.00 C ATOM 253 C LYS A 20 24.249 -26.401 61.310 1.00 0.00 C ATOM 254 O LYS A 20 24.032 -26.164 60.123 1.00 0.00 O ATOM 255 CB LYS A 20 26.063 -25.233 62.522 1.00 0.00 C ATOM 256 CG LYS A 20 26.871 -24.940 61.268 1.00 0.00 C ATOM 257 CD LYS A 20 28.357 -24.851 61.577 1.00 0.00 C ATOM 258 CE LYS A 20 29.167 -24.574 60.321 1.00 0.00 C ATOM 259 NZ LYS A 20 30.624 -24.472 60.611 1.00 0.00 N ATOM 0 H LYS A 20 24.463 -25.556 64.368 1.00 0.00 H new ATOM 0 HA LYS A 20 24.208 -24.330 61.887 1.00 0.00 H new ATOM 0 HB2 LYS A 20 26.283 -24.470 63.269 1.00 0.00 H new ATOM 0 HB3 LYS A 20 26.388 -26.188 62.936 1.00 0.00 H new ATOM 0 HG2 LYS A 20 26.697 -25.723 60.530 1.00 0.00 H new ATOM 0 HG3 LYS A 20 26.533 -24.003 60.825 1.00 0.00 H new ATOM 0 HD2 LYS A 20 28.532 -24.061 62.307 1.00 0.00 H new ATOM 0 HD3 LYS A 20 28.693 -25.784 62.030 1.00 0.00 H new ATOM 0 HE2 LYS A 20 28.996 -25.370 59.596 1.00 0.00 H new ATOM 0 HE3 LYS A 20 28.822 -23.647 59.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 31.141 -24.283 59.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 30.791 -23.696 61.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 30.959 -25.366 61.024 1.00 0.00 H new ATOM 273 N ALA A 21 24.236 -27.629 61.823 1.00 0.00 N ATOM 274 CA ALA A 21 23.962 -28.811 61.011 1.00 0.00 C ATOM 275 C ALA A 21 22.513 -28.818 60.553 1.00 0.00 C ATOM 276 O ALA A 21 22.210 -29.145 59.407 1.00 0.00 O ATOM 277 CB ALA A 21 24.220 -30.077 61.814 1.00 0.00 C ATOM 0 H ALA A 21 24.414 -27.832 62.807 1.00 0.00 H new ATOM 0 HA ALA A 21 24.622 -28.781 60.144 1.00 0.00 H new ATOM 0 HB1 ALA A 21 24.011 -30.949 61.195 1.00 0.00 H new ATOM 0 HB2 ALA A 21 25.262 -30.099 62.133 1.00 0.00 H new ATOM 0 HB3 ALA A 21 23.572 -30.090 62.690 1.00 0.00 H new ATOM 283 N ILE A 22 21.619 -28.450 61.468 1.00 0.00 N ATOM 284 CA ILE A 22 20.188 -28.406 61.185 1.00 0.00 C ATOM 285 C ILE A 22 19.888 -27.360 60.123 1.00 0.00 C ATOM 286 O ILE A 22 19.189 -27.627 59.147 1.00 0.00 O ATOM 287 CB ILE A 22 19.374 -28.051 62.443 1.00 0.00 C ATOM 288 CG1 ILE A 22 19.462 -29.180 63.472 1.00 0.00 C ATOM 289 CG2 ILE A 22 17.911 -27.834 62.088 1.00 0.00 C ATOM 290 CD1 ILE A 22 18.901 -28.815 64.829 1.00 0.00 C ATOM 0 H ILE A 22 21.864 -28.176 62.419 1.00 0.00 H new ATOM 0 HA ILE A 22 19.903 -29.399 60.836 1.00 0.00 H new ATOM 0 HB ILE A 22 19.791 -27.135 62.862 1.00 0.00 H new ATOM 0 HG12 ILE A 22 18.927 -30.050 63.090 1.00 0.00 H new ATOM 0 HG13 ILE A 22 20.505 -29.473 63.588 1.00 0.00 H new ATOM 0 HG21 ILE A 22 17.351 -27.584 62.989 1.00 0.00 H new ATOM 0 HG22 ILE A 22 17.828 -27.017 61.371 1.00 0.00 H new ATOM 0 HG23 ILE A 22 17.504 -28.745 61.649 1.00 0.00 H new ATOM 0 HD11 ILE A 22 18.999 -29.665 65.504 1.00 0.00 H new ATOM 0 HD12 ILE A 22 19.451 -27.965 65.234 1.00 0.00 H new ATOM 0 HD13 ILE A 22 17.848 -28.551 64.728 1.00 0.00 H new ATOM 302 N GLY A 23 20.427 -26.162 60.327 1.00 0.00 N ATOM 303 CA GLY A 23 20.235 -25.051 59.399 1.00 0.00 C ATOM 304 C GLY A 23 20.908 -25.346 58.068 1.00 0.00 C ATOM 305 O GLY A 23 20.340 -25.113 57.002 1.00 0.00 O ATOM 0 H GLY A 23 21.006 -25.934 61.135 1.00 0.00 H new ATOM 0 HA2 GLY A 23 19.170 -24.879 59.244 1.00 0.00 H new ATOM 0 HA3 GLY A 23 20.647 -24.137 59.827 1.00 0.00 H new ATOM 309 N GLY A 24 22.130 -25.864 58.145 1.00 0.00 N ATOM 310 CA GLY A 24 22.909 -26.202 56.958 1.00 0.00 C ATOM 311 C GLY A 24 22.275 -27.370 56.219 1.00 0.00 C ATOM 312 O GLY A 24 21.989 -27.287 55.026 1.00 0.00 O ATOM 0 H GLY A 24 22.606 -26.060 59.026 1.00 0.00 H new ATOM 0 HA2 GLY A 24 22.971 -25.337 56.298 1.00 0.00 H new ATOM 0 HA3 GLY A 24 23.929 -26.457 57.246 1.00 0.00 H new ATOM 316 N TYR A 25 22.058 -28.461 56.947 1.00 0.00 N ATOM 317 CA TYR A 25 21.457 -29.667 56.385 1.00 0.00 C ATOM 318 C TYR A 25 20.111 -29.346 55.756 1.00 0.00 C ATOM 319 O TYR A 25 19.764 -29.867 54.697 1.00 0.00 O ATOM 320 CB TYR A 25 21.243 -30.718 57.476 1.00 0.00 C ATOM 321 CG TYR A 25 20.609 -31.997 56.979 1.00 0.00 C ATOM 322 CD1 TYR A 25 21.360 -32.944 56.295 1.00 0.00 C ATOM 323 CD2 TYR A 25 19.261 -32.254 57.195 1.00 0.00 C ATOM 324 CE1 TYR A 25 20.789 -34.116 55.837 1.00 0.00 C ATOM 325 CE2 TYR A 25 18.673 -33.420 56.745 1.00 0.00 C ATOM 326 CZ TYR A 25 19.451 -34.354 56.061 1.00 0.00 C ATOM 327 OH TYR A 25 18.880 -35.520 55.606 1.00 0.00 O ATOM 0 H TYR A 25 22.292 -28.535 57.937 1.00 0.00 H new ATOM 0 HA TYR A 25 22.137 -30.055 55.627 1.00 0.00 H new ATOM 0 HB2 TYR A 25 22.204 -30.954 57.933 1.00 0.00 H new ATOM 0 HB3 TYR A 25 20.614 -30.293 58.258 1.00 0.00 H new ATOM 0 HD1 TYR A 25 22.410 -32.761 56.118 1.00 0.00 H new ATOM 0 HD2 TYR A 25 18.662 -31.528 57.725 1.00 0.00 H new ATOM 0 HE1 TYR A 25 21.388 -34.841 55.307 1.00 0.00 H new ATOM 0 HE2 TYR A 25 17.624 -33.606 56.921 1.00 0.00 H new ATOM 0 HH TYR A 25 17.930 -35.534 55.846 1.00 0.00 H new ATOM 337 N ILE A 26 19.356 -28.479 56.424 1.00 0.00 N ATOM 338 CA ILE A 26 18.037 -28.067 55.952 1.00 0.00 C ATOM 339 C ILE A 26 18.167 -27.106 54.782 1.00 0.00 C ATOM 340 O ILE A 26 17.471 -27.230 53.776 1.00 0.00 O ATOM 341 CB ILE A 26 17.237 -27.358 57.061 1.00 0.00 C ATOM 342 CG1 ILE A 26 16.896 -28.340 58.183 1.00 0.00 C ATOM 343 CG2 ILE A 26 15.939 -26.794 56.503 1.00 0.00 C ATOM 344 CD1 ILE A 26 16.329 -27.679 59.421 1.00 0.00 C ATOM 0 H ILE A 26 19.638 -28.044 57.302 1.00 0.00 H new ATOM 0 HA ILE A 26 17.513 -28.972 55.647 1.00 0.00 H new ATOM 0 HB ILE A 26 17.853 -26.548 57.452 1.00 0.00 H new ATOM 0 HG12 ILE A 26 16.176 -29.069 57.809 1.00 0.00 H new ATOM 0 HG13 ILE A 26 17.795 -28.892 58.456 1.00 0.00 H new ATOM 0 HG21 ILE A 26 15.386 -26.297 57.300 1.00 0.00 H new ATOM 0 HG22 ILE A 26 16.164 -26.076 55.714 1.00 0.00 H new ATOM 0 HG23 ILE A 26 15.336 -27.605 56.095 1.00 0.00 H new ATOM 0 HD11 ILE A 26 16.112 -28.439 60.172 1.00 0.00 H new ATOM 0 HD12 ILE A 26 17.055 -26.971 59.820 1.00 0.00 H new ATOM 0 HD13 ILE A 26 15.411 -27.151 59.163 1.00 0.00 H new ATOM 356 N VAL A 27 19.072 -26.142 54.928 1.00 0.00 N ATOM 357 CA VAL A 27 19.318 -25.139 53.895 1.00 0.00 C ATOM 358 C VAL A 27 20.106 -25.743 52.744 1.00 0.00 C ATOM 359 O VAL A 27 19.962 -25.336 51.592 1.00 0.00 O ATOM 360 CB VAL A 27 20.123 -23.947 54.446 1.00 0.00 C ATOM 361 CG1 VAL A 27 20.522 -23.008 53.318 1.00 0.00 C ATOM 362 CG2 VAL A 27 19.294 -23.164 55.453 1.00 0.00 C ATOM 0 H VAL A 27 19.652 -26.034 55.760 1.00 0.00 H new ATOM 0 HA VAL A 27 18.343 -24.793 53.551 1.00 0.00 H new ATOM 0 HB VAL A 27 21.015 -24.344 54.931 1.00 0.00 H new ATOM 0 HG11 VAL A 27 21.090 -22.171 53.725 1.00 0.00 H new ATOM 0 HG12 VAL A 27 21.136 -23.547 52.596 1.00 0.00 H new ATOM 0 HG13 VAL A 27 19.626 -22.632 52.823 1.00 0.00 H new ATOM 0 HG21 VAL A 27 19.878 -22.326 55.832 1.00 0.00 H new ATOM 0 HG22 VAL A 27 18.393 -22.789 54.969 1.00 0.00 H new ATOM 0 HG23 VAL A 27 19.016 -23.816 56.281 1.00 0.00 H new ATOM 372 N GLY A 28 20.944 -26.722 53.072 1.00 0.00 N ATOM 373 CA GLY A 28 21.773 -27.403 52.083 1.00 0.00 C ATOM 374 C GLY A 28 20.933 -28.363 51.255 1.00 0.00 C ATOM 375 O GLY A 28 21.286 -28.709 50.129 1.00 0.00 O ATOM 0 H GLY A 28 21.067 -27.064 54.025 1.00 0.00 H new ATOM 0 HA2 GLY A 28 22.248 -26.670 51.431 1.00 0.00 H new ATOM 0 HA3 GLY A 28 22.573 -27.949 52.584 1.00 0.00 H new ATOM 379 N ALA A 29 19.812 -28.789 51.831 1.00 0.00 N ATOM 380 CA ALA A 29 18.897 -29.713 51.169 1.00 0.00 C ATOM 381 C ALA A 29 17.938 -28.956 50.264 1.00 0.00 C ATOM 382 O ALA A 29 17.525 -29.452 49.217 1.00 0.00 O ATOM 383 CB ALA A 29 18.083 -30.482 52.198 1.00 0.00 C ATOM 0 H ALA A 29 19.514 -28.505 52.764 1.00 0.00 H new ATOM 0 HA ALA A 29 19.494 -30.406 50.576 1.00 0.00 H new ATOM 0 HB1 ALA A 29 17.405 -31.167 51.688 1.00 0.00 H new ATOM 0 HB2 ALA A 29 18.754 -31.049 52.843 1.00 0.00 H new ATOM 0 HB3 ALA A 29 17.505 -29.782 52.802 1.00 0.00 H new ATOM 389 N LEU A 30 17.588 -27.744 50.685 1.00 0.00 N ATOM 390 CA LEU A 30 16.675 -26.890 49.930 1.00 0.00 C ATOM 391 C LEU A 30 17.184 -26.689 48.512 1.00 0.00 C ATOM 392 O LEU A 30 16.405 -26.522 47.575 1.00 0.00 O ATOM 393 CB LEU A 30 16.549 -25.519 50.597 1.00 0.00 C ATOM 394 CG LEU A 30 15.799 -25.480 51.930 1.00 0.00 C ATOM 395 CD1 LEU A 30 15.859 -24.088 52.541 1.00 0.00 C ATOM 396 CD2 LEU A 30 14.337 -25.852 51.736 1.00 0.00 C ATOM 0 H LEU A 30 17.926 -27.328 51.553 1.00 0.00 H new ATOM 0 HA LEU A 30 15.702 -27.382 49.908 1.00 0.00 H new ATOM 0 HB2 LEU A 30 17.552 -25.123 50.757 1.00 0.00 H new ATOM 0 HB3 LEU A 30 16.047 -24.845 49.902 1.00 0.00 H new ATOM 0 HG LEU A 30 16.279 -26.198 52.595 1.00 0.00 H new ATOM 0 HD11 LEU A 30 15.319 -24.083 53.488 1.00 0.00 H new ATOM 0 HD12 LEU A 30 16.899 -23.811 52.714 1.00 0.00 H new ATOM 0 HD13 LEU A 30 15.402 -23.371 51.859 1.00 0.00 H new ATOM 0 HD21 LEU A 30 13.822 -25.818 52.696 1.00 0.00 H new ATOM 0 HD22 LEU A 30 13.870 -25.146 51.049 1.00 0.00 H new ATOM 0 HD23 LEU A 30 14.269 -26.859 51.324 1.00 0.00 H new ATOM 408 N VAL A 31 18.506 -26.709 48.367 1.00 0.00 N ATOM 409 CA VAL A 31 19.152 -26.531 47.069 1.00 0.00 C ATOM 410 C VAL A 31 18.618 -27.541 46.067 1.00 0.00 C ATOM 411 O VAL A 31 18.478 -27.248 44.881 1.00 0.00 O ATOM 412 CB VAL A 31 20.677 -26.721 47.167 1.00 0.00 C ATOM 413 CG1 VAL A 31 21.299 -26.759 45.779 1.00 0.00 C ATOM 414 CG2 VAL A 31 21.308 -25.577 47.945 1.00 0.00 C ATOM 0 H VAL A 31 19.157 -26.848 49.140 1.00 0.00 H new ATOM 0 HA VAL A 31 18.932 -25.515 46.742 1.00 0.00 H new ATOM 0 HB VAL A 31 20.862 -27.664 47.682 1.00 0.00 H new ATOM 0 HG11 VAL A 31 22.377 -26.894 45.867 1.00 0.00 H new ATOM 0 HG12 VAL A 31 20.875 -27.588 45.213 1.00 0.00 H new ATOM 0 HG13 VAL A 31 21.092 -25.822 45.262 1.00 0.00 H new ATOM 0 HG21 VAL A 31 22.386 -25.728 48.004 1.00 0.00 H new ATOM 0 HG22 VAL A 31 21.101 -24.634 47.438 1.00 0.00 H new ATOM 0 HG23 VAL A 31 20.890 -25.547 48.951 1.00 0.00 H new ATOM 424 N ILE A 32 18.321 -28.740 46.561 1.00 0.00 N ATOM 425 CA ILE A 32 17.799 -29.820 45.728 1.00 0.00 C ATOM 426 C ILE A 32 16.424 -29.459 45.190 1.00 0.00 C ATOM 427 O ILE A 32 16.115 -29.695 44.023 1.00 0.00 O ATOM 428 CB ILE A 32 17.667 -31.133 46.523 1.00 0.00 C ATOM 429 CG1 ILE A 32 19.049 -31.658 46.917 1.00 0.00 C ATOM 430 CG2 ILE A 32 16.969 -32.194 45.687 1.00 0.00 C ATOM 431 CD1 ILE A 32 19.008 -32.803 47.905 1.00 0.00 C ATOM 0 H ILE A 32 18.434 -28.990 47.543 1.00 0.00 H new ATOM 0 HA ILE A 32 18.506 -29.959 44.910 1.00 0.00 H new ATOM 0 HB ILE A 32 17.080 -30.924 47.418 1.00 0.00 H new ATOM 0 HG12 ILE A 32 19.573 -31.984 46.019 1.00 0.00 H new ATOM 0 HG13 ILE A 32 19.629 -30.841 47.346 1.00 0.00 H new ATOM 0 HG21 ILE A 32 16.884 -33.115 46.264 1.00 0.00 H new ATOM 0 HG22 ILE A 32 15.973 -31.845 45.413 1.00 0.00 H new ATOM 0 HG23 ILE A 32 17.548 -32.384 44.783 1.00 0.00 H new ATOM 0 HD11 ILE A 32 20.025 -33.121 48.136 1.00 0.00 H new ATOM 0 HD12 ILE A 32 18.513 -32.477 48.820 1.00 0.00 H new ATOM 0 HD13 ILE A 32 18.456 -33.638 47.472 1.00 0.00 H new ATOM 443 N LEU A 33 15.600 -28.882 46.060 1.00 0.00 N ATOM 444 CA LEU A 33 14.244 -28.476 45.699 1.00 0.00 C ATOM 445 C LEU A 33 14.279 -27.418 44.608 1.00 0.00 C ATOM 446 O LEU A 33 13.569 -27.512 43.608 1.00 0.00 O ATOM 447 CB LEU A 33 13.517 -27.895 46.914 1.00 0.00 C ATOM 448 CG LEU A 33 13.111 -28.892 48.001 1.00 0.00 C ATOM 449 CD1 LEU A 33 12.516 -28.167 49.199 1.00 0.00 C ATOM 450 CD2 LEU A 33 12.072 -29.869 47.473 1.00 0.00 C ATOM 0 H LEU A 33 15.850 -28.683 47.029 1.00 0.00 H new ATOM 0 HA LEU A 33 13.716 -29.360 45.341 1.00 0.00 H new ATOM 0 HB2 LEU A 33 14.157 -27.138 47.366 1.00 0.00 H new ATOM 0 HB3 LEU A 33 12.619 -27.386 46.564 1.00 0.00 H new ATOM 0 HG LEU A 33 14.009 -29.431 48.301 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.234 -28.894 49.961 1.00 0.00 H new ATOM 0 HD12 LEU A 33 13.254 -27.478 49.610 1.00 0.00 H new ATOM 0 HD13 LEU A 33 11.634 -27.609 48.885 1.00 0.00 H new ATOM 0 HD21 LEU A 33 11.797 -30.569 48.262 1.00 0.00 H new ATOM 0 HD22 LEU A 33 11.187 -29.320 47.150 1.00 0.00 H new ATOM 0 HD23 LEU A 33 12.486 -30.419 46.628 1.00 0.00 H new ATOM 462 N ALA A 34 15.118 -26.407 44.814 1.00 0.00 N ATOM 463 CA ALA A 34 15.268 -25.311 43.860 1.00 0.00 C ATOM 464 C ALA A 34 15.708 -25.841 42.505 1.00 0.00 C ATOM 465 O ALA A 34 15.230 -25.397 41.462 1.00 0.00 O ATOM 466 CB ALA A 34 16.311 -24.319 44.352 1.00 0.00 C ATOM 0 H ALA A 34 15.710 -26.324 45.641 1.00 0.00 H new ATOM 0 HA ALA A 34 14.301 -24.816 43.766 1.00 0.00 H new ATOM 0 HB1 ALA A 34 16.411 -23.508 43.630 1.00 0.00 H new ATOM 0 HB2 ALA A 34 16.000 -23.912 45.314 1.00 0.00 H new ATOM 0 HB3 ALA A 34 17.270 -24.825 44.465 1.00 0.00 H new ATOM 472 N VAL A 35 16.628 -26.800 42.534 1.00 0.00 N ATOM 473 CA VAL A 35 17.154 -27.414 41.318 1.00 0.00 C ATOM 474 C VAL A 35 16.024 -27.983 40.477 1.00 0.00 C ATOM 475 O VAL A 35 15.995 -27.822 39.258 1.00 0.00 O ATOM 476 CB VAL A 35 18.128 -28.562 41.641 1.00 0.00 C ATOM 477 CG1 VAL A 35 18.499 -29.319 40.375 1.00 0.00 C ATOM 478 CG2 VAL A 35 19.403 -28.019 42.268 1.00 0.00 C ATOM 0 H VAL A 35 17.028 -27.172 43.395 1.00 0.00 H new ATOM 0 HA VAL A 35 17.681 -26.632 40.771 1.00 0.00 H new ATOM 0 HB VAL A 35 17.629 -29.233 42.340 1.00 0.00 H new ATOM 0 HG11 VAL A 35 19.188 -30.127 40.623 1.00 0.00 H new ATOM 0 HG12 VAL A 35 17.599 -29.736 39.923 1.00 0.00 H new ATOM 0 HG13 VAL A 35 18.977 -28.638 39.671 1.00 0.00 H new ATOM 0 HG21 VAL A 35 20.080 -28.844 42.490 1.00 0.00 H new ATOM 0 HG22 VAL A 35 19.885 -27.331 41.574 1.00 0.00 H new ATOM 0 HG23 VAL A 35 19.159 -27.492 43.191 1.00 0.00 H new ATOM 488 N ALA A 36 15.091 -28.654 41.147 1.00 0.00 N ATOM 489 CA ALA A 36 13.941 -29.262 40.485 1.00 0.00 C ATOM 490 C ALA A 36 13.053 -28.192 39.871 1.00 0.00 C ATOM 491 O ALA A 36 12.624 -28.303 38.723 1.00 0.00 O ATOM 492 CB ALA A 36 13.115 -30.059 41.483 1.00 0.00 C ATOM 0 H ALA A 36 15.110 -28.791 42.158 1.00 0.00 H new ATOM 0 HA ALA A 36 14.317 -29.922 39.704 1.00 0.00 H new ATOM 0 HB1 ALA A 36 12.261 -30.506 40.974 1.00 0.00 H new ATOM 0 HB2 ALA A 36 13.731 -30.846 41.919 1.00 0.00 H new ATOM 0 HB3 ALA A 36 12.760 -29.397 42.273 1.00 0.00 H new ATOM 498 N GLY A 37 12.782 -27.151 40.653 1.00 0.00 N ATOM 499 CA GLY A 37 11.944 -26.041 40.212 1.00 0.00 C ATOM 500 C GLY A 37 12.402 -25.536 38.853 1.00 0.00 C ATOM 501 O GLY A 37 11.648 -25.551 37.881 1.00 0.00 O ATOM 0 H GLY A 37 13.135 -27.053 41.605 1.00 0.00 H new ATOM 0 HA2 GLY A 37 10.904 -26.363 40.156 1.00 0.00 H new ATOM 0 HA3 GLY A 37 11.988 -25.232 40.941 1.00 0.00 H new ATOM 505 N LEU A 38 13.653 -25.087 38.799 1.00 0.00 N ATOM 506 CA LEU A 38 14.244 -24.569 37.568 1.00 0.00 C ATOM 507 C LEU A 38 14.248 -25.639 36.489 1.00 0.00 C ATOM 508 O LEU A 38 13.996 -25.362 35.318 1.00 0.00 O ATOM 509 CB LEU A 38 15.687 -24.123 37.813 1.00 0.00 C ATOM 510 CG LEU A 38 15.872 -22.858 38.654 1.00 0.00 C ATOM 511 CD1 LEU A 38 17.347 -22.604 38.924 1.00 0.00 C ATOM 512 CD2 LEU A 38 15.305 -21.645 37.932 1.00 0.00 C ATOM 0 H LEU A 38 14.282 -25.072 39.602 1.00 0.00 H new ATOM 0 HA LEU A 38 13.644 -23.719 37.243 1.00 0.00 H new ATOM 0 HB2 LEU A 38 16.219 -24.939 38.301 1.00 0.00 H new ATOM 0 HB3 LEU A 38 16.165 -23.964 36.846 1.00 0.00 H new ATOM 0 HG LEU A 38 15.343 -23.011 39.595 1.00 0.00 H new ATOM 0 HD11 LEU A 38 17.457 -21.700 39.523 1.00 0.00 H new ATOM 0 HD12 LEU A 38 17.769 -23.451 39.464 1.00 0.00 H new ATOM 0 HD13 LEU A 38 17.874 -22.478 37.978 1.00 0.00 H new ATOM 0 HD21 LEU A 38 15.447 -20.756 38.547 1.00 0.00 H new ATOM 0 HD22 LEU A 38 15.821 -21.514 36.981 1.00 0.00 H new ATOM 0 HD23 LEU A 38 14.241 -21.794 37.750 1.00 0.00 H new ATOM 524 N ILE A 39 14.539 -26.869 36.900 1.00 0.00 N ATOM 525 CA ILE A 39 14.584 -28.007 35.987 1.00 0.00 C ATOM 526 C ILE A 39 13.246 -28.186 35.292 1.00 0.00 C ATOM 527 O ILE A 39 13.180 -28.411 34.084 1.00 0.00 O ATOM 528 CB ILE A 39 14.909 -29.315 36.731 1.00 0.00 C ATOM 529 CG1 ILE A 39 16.341 -29.282 37.268 1.00 0.00 C ATOM 530 CG2 ILE A 39 14.771 -30.508 35.797 1.00 0.00 C ATOM 531 CD1 ILE A 39 17.394 -29.137 36.191 1.00 0.00 C ATOM 0 H ILE A 39 14.749 -27.105 37.870 1.00 0.00 H new ATOM 0 HA ILE A 39 15.368 -27.797 35.259 1.00 0.00 H new ATOM 0 HB ILE A 39 14.206 -29.412 37.558 1.00 0.00 H new ATOM 0 HG12 ILE A 39 16.437 -28.454 37.970 1.00 0.00 H new ATOM 0 HG13 ILE A 39 16.531 -30.198 37.827 1.00 0.00 H new ATOM 0 HG21 ILE A 39 15.004 -31.424 36.340 1.00 0.00 H new ATOM 0 HG22 ILE A 39 13.749 -30.559 35.421 1.00 0.00 H new ATOM 0 HG23 ILE A 39 15.460 -30.397 34.960 1.00 0.00 H new ATOM 0 HD11 ILE A 39 18.383 -29.121 36.649 1.00 0.00 H new ATOM 0 HD12 ILE A 39 17.327 -29.978 35.501 1.00 0.00 H new ATOM 0 HD13 ILE A 39 17.232 -28.207 35.646 1.00 0.00 H new ATOM 543 N TYR A 40 12.174 -28.083 36.074 1.00 0.00 N ATOM 544 CA TYR A 40 10.816 -28.230 35.559 1.00 0.00 C ATOM 545 C TYR A 40 10.458 -27.060 34.658 1.00 0.00 C ATOM 546 O TYR A 40 9.845 -27.232 33.606 1.00 0.00 O ATOM 547 CB TYR A 40 9.809 -28.279 36.710 1.00 0.00 C ATOM 548 CG TYR A 40 8.376 -28.457 36.262 1.00 0.00 C ATOM 549 CD1 TYR A 40 7.902 -29.703 35.871 1.00 0.00 C ATOM 550 CD2 TYR A 40 7.501 -27.379 36.232 1.00 0.00 C ATOM 551 CE1 TYR A 40 6.594 -29.875 35.461 1.00 0.00 C ATOM 552 CE2 TYR A 40 6.189 -27.532 35.825 1.00 0.00 C ATOM 553 CZ TYR A 40 5.740 -28.794 35.438 1.00 0.00 C ATOM 554 OH TYR A 40 4.437 -28.963 35.029 1.00 0.00 O ATOM 0 H TYR A 40 12.222 -27.897 37.076 1.00 0.00 H new ATOM 0 HA TYR A 40 10.775 -29.160 34.991 1.00 0.00 H new ATOM 0 HB2 TYR A 40 10.075 -29.098 37.378 1.00 0.00 H new ATOM 0 HB3 TYR A 40 9.887 -27.358 37.288 1.00 0.00 H new ATOM 0 HD1 TYR A 40 8.568 -30.553 35.888 1.00 0.00 H new ATOM 0 HD2 TYR A 40 7.852 -26.403 36.532 1.00 0.00 H new ATOM 0 HE1 TYR A 40 6.243 -30.851 35.160 1.00 0.00 H new ATOM 0 HE2 TYR A 40 5.520 -26.684 35.807 1.00 0.00 H new ATOM 0 HH TYR A 40 3.967 -28.104 35.072 1.00 0.00 H new ATOM 564 N SER A 41 10.852 -25.863 35.086 1.00 0.00 N ATOM 565 CA SER A 41 10.586 -24.640 34.335 1.00 0.00 C ATOM 566 C SER A 41 11.224 -24.712 32.957 1.00 0.00 C ATOM 567 O SER A 41 10.578 -24.453 31.943 1.00 0.00 O ATOM 568 CB SER A 41 11.157 -23.425 35.069 1.00 0.00 C ATOM 569 OG SER A 41 10.485 -23.210 36.298 1.00 0.00 O ATOM 0 H SER A 41 11.361 -25.714 35.957 1.00 0.00 H new ATOM 0 HA SER A 41 9.505 -24.539 34.238 1.00 0.00 H new ATOM 0 HB2 SER A 41 12.221 -23.575 35.254 1.00 0.00 H new ATOM 0 HB3 SER A 41 11.064 -22.539 34.440 1.00 0.00 H new ATOM 0 HG SER A 41 10.752 -23.899 36.942 1.00 0.00 H new ATOM 575 N MET A 42 12.505 -25.069 32.935 1.00 0.00 N ATOM 576 CA MET A 42 13.261 -25.185 31.691 1.00 0.00 C ATOM 577 C MET A 42 12.685 -26.288 30.818 1.00 0.00 C ATOM 578 O MET A 42 12.568 -26.141 29.602 1.00 0.00 O ATOM 579 CB MET A 42 14.726 -25.516 31.983 1.00 0.00 C ATOM 580 CG MET A 42 15.608 -25.572 30.746 1.00 0.00 C ATOM 581 SD MET A 42 17.331 -25.933 31.137 1.00 0.00 S ATOM 582 CE MET A 42 17.213 -27.650 31.634 1.00 0.00 C ATOM 0 H MET A 42 13.046 -25.285 33.773 1.00 0.00 H new ATOM 0 HA MET A 42 13.194 -24.229 31.172 1.00 0.00 H new ATOM 0 HB2 MET A 42 15.127 -24.769 32.668 1.00 0.00 H new ATOM 0 HB3 MET A 42 14.775 -26.477 32.495 1.00 0.00 H new ATOM 0 HG2 MET A 42 15.226 -26.334 30.067 1.00 0.00 H new ATOM 0 HG3 MET A 42 15.551 -24.619 30.220 1.00 0.00 H new ATOM 0 HE1 MET A 42 18.210 -28.089 31.667 1.00 0.00 H new ATOM 0 HE2 MET A 42 16.757 -27.712 32.622 1.00 0.00 H new ATOM 0 HE3 MET A 42 16.600 -28.195 30.916 1.00 0.00 H new ATOM 592 N LEU A 43 12.325 -27.397 31.457 1.00 0.00 N ATOM 593 CA LEU A 43 11.755 -28.548 30.763 1.00 0.00 C ATOM 594 C LEU A 43 10.312 -28.272 30.372 1.00 0.00 C ATOM 595 O LEU A 43 9.869 -28.633 29.283 1.00 0.00 O ATOM 596 CB LEU A 43 11.784 -29.785 31.663 1.00 0.00 C ATOM 597 CG LEU A 43 13.162 -30.389 31.940 1.00 0.00 C ATOM 598 CD1 LEU A 43 13.059 -31.527 32.944 1.00 0.00 C ATOM 599 CD2 LEU A 43 13.776 -30.938 30.661 1.00 0.00 C ATOM 0 H LEU A 43 12.419 -27.523 32.465 1.00 0.00 H new ATOM 0 HA LEU A 43 12.353 -28.727 29.869 1.00 0.00 H new ATOM 0 HB2 LEU A 43 11.326 -29.525 32.617 1.00 0.00 H new ATOM 0 HB3 LEU A 43 11.159 -30.553 31.209 1.00 0.00 H new ATOM 0 HG LEU A 43 13.790 -29.594 32.342 1.00 0.00 H new ATOM 0 HD11 LEU A 43 14.050 -31.942 33.126 1.00 0.00 H new ATOM 0 HD12 LEU A 43 12.645 -31.150 33.880 1.00 0.00 H new ATOM 0 HD13 LEU A 43 12.407 -32.305 32.546 1.00 0.00 H new ATOM 0 HD21 LEU A 43 14.755 -31.363 30.881 1.00 0.00 H new ATOM 0 HD22 LEU A 43 13.129 -31.713 30.250 1.00 0.00 H new ATOM 0 HD23 LEU A 43 13.885 -30.133 29.935 1.00 0.00 H new ATOM 611 N ARG A 44 9.584 -27.627 31.278 1.00 0.00 N ATOM 612 CA ARG A 44 8.182 -27.287 31.055 1.00 0.00 C ATOM 613 C ARG A 44 8.067 -26.013 30.234 1.00 0.00 C ATOM 614 O ARG A 44 7.144 -25.850 29.438 1.00 0.00 O ATOM 615 CB ARG A 44 7.465 -27.069 32.389 1.00 0.00 C ATOM 616 CG ARG A 44 5.975 -26.799 32.256 1.00 0.00 C ATOM 617 CD ARG A 44 5.237 -28.020 31.731 1.00 0.00 C ATOM 618 NE ARG A 44 3.801 -27.783 31.612 1.00 0.00 N ATOM 619 CZ ARG A 44 2.951 -28.621 31.027 1.00 0.00 C ATOM 620 NH1 ARG A 44 3.394 -29.756 30.504 1.00 0.00 N ATOM 621 NH2 ARG A 44 1.661 -28.321 30.966 1.00 0.00 N ATOM 0 H ARG A 44 9.946 -27.326 32.183 1.00 0.00 H new ATOM 0 HA ARG A 44 7.721 -28.116 30.518 1.00 0.00 H new ATOM 0 HB2 ARG A 44 7.609 -27.950 33.015 1.00 0.00 H new ATOM 0 HB3 ARG A 44 7.931 -26.230 32.907 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.567 -26.514 33.226 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.815 -25.957 31.583 1.00 0.00 H new ATOM 0 HD2 ARG A 44 5.641 -28.296 30.757 1.00 0.00 H new ATOM 0 HD3 ARG A 44 5.411 -28.864 32.399 1.00 0.00 H new ATOM 0 HE ARG A 44 3.426 -26.919 32.003 1.00 0.00 H new ATOM 0 HH11 ARG A 44 4.387 -29.986 30.551 1.00 0.00 H new ATOM 0 HH12 ARG A 44 2.742 -30.399 30.055 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.321 -27.447 31.368 1.00 0.00 H new ATOM 0 HH22 ARG A 44 1.009 -28.964 30.517 1.00 0.00 H new ATOM 635 N LYS A 45 9.021 -25.109 30.440 1.00 0.00 N ATOM 636 CA LYS A 45 9.053 -23.834 29.730 1.00 0.00 C ATOM 637 C LYS A 45 9.478 -24.039 28.286 1.00 0.00 C ATOM 638 O LYS A 45 8.868 -23.505 27.361 1.00 0.00 O ATOM 639 CB LYS A 45 10.044 -22.876 30.394 1.00 0.00 C ATOM 640 CG LYS A 45 10.104 -21.500 29.750 1.00 0.00 C ATOM 641 CD LYS A 45 11.063 -20.584 30.492 1.00 0.00 C ATOM 642 CE LYS A 45 11.134 -19.214 29.839 1.00 0.00 C ATOM 643 NZ LYS A 45 12.062 -18.301 30.562 1.00 0.00 N ATOM 0 H LYS A 45 9.789 -25.238 31.099 1.00 0.00 H new ATOM 0 HA LYS A 45 8.049 -23.410 29.763 1.00 0.00 H new ATOM 0 HB2 LYS A 45 9.775 -22.762 31.444 1.00 0.00 H new ATOM 0 HB3 LYS A 45 11.038 -23.322 30.366 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.420 -21.596 28.711 1.00 0.00 H new ATOM 0 HG3 LYS A 45 9.108 -21.057 29.741 1.00 0.00 H new ATOM 0 HD2 LYS A 45 10.741 -20.479 31.528 1.00 0.00 H new ATOM 0 HD3 LYS A 45 12.056 -21.032 30.511 1.00 0.00 H new ATOM 0 HE2 LYS A 45 11.463 -19.321 28.805 1.00 0.00 H new ATOM 0 HE3 LYS A 45 10.138 -18.772 29.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 12.082 -17.377 30.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 11.735 -18.178 31.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 13.018 -18.710 30.565 1.00 0.00 H new ATOM 657 N ALA A 46 10.538 -24.822 28.105 1.00 0.00 N ATOM 658 CA ALA A 46 11.073 -25.118 26.779 1.00 0.00 C ATOM 659 C ALA A 46 12.278 -26.038 26.903 1.00 0.00 C ATOM 660 O ALA A 46 12.663 -26.417 28.007 1.00 0.00 O ATOM 661 CB ALA A 46 11.456 -23.815 26.083 1.00 0.00 C ATOM 0 H ALA A 46 11.048 -25.267 28.868 1.00 0.00 H new ATOM 0 HA ALA A 46 10.315 -25.624 26.181 1.00 0.00 H new ATOM 0 HB1 ALA A 46 11.856 -24.035 25.093 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.574 -23.182 25.986 1.00 0.00 H new ATOM 0 HB3 ALA A 46 12.212 -23.296 26.672 1.00 0.00 H new