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= -0.593 F(o=-3.3,f=-0.74) USER MOD Set 1.2: A 19 MET CE :methyl -166:sc= -0.151 (180deg=-0.341) USER MOD Single : A 1 GLY N :NH3+ -133:sc= 0.164 (180deg=-0.68) USER MOD Single : A 5 THR OG1 : rot -8:sc= 0.315 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 112:sc= 1.01 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= -0.0096 (180deg=-0.252) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 29.261 -31.315 100.272 1.00 0.00 N ATOM 2 CA GLY A 1 30.141 -32.466 100.315 1.00 0.00 C ATOM 3 C GLY A 1 29.800 -33.424 99.185 1.00 0.00 C ATOM 4 O GLY A 1 28.890 -33.172 98.397 1.00 0.00 O ATOM 0 H1 GLY A 1 29.822 -30.445 100.370 1.00 0.00 H new ATOM 0 H2 GLY A 1 28.754 -31.299 99.364 1.00 0.00 H new ATOM 0 H3 GLY A 1 28.575 -31.374 101.051 1.00 0.00 H new ATOM 0 HA2 GLY A 1 31.179 -32.144 100.229 1.00 0.00 H new ATOM 0 HA3 GLY A 1 30.043 -32.973 101.275 1.00 0.00 H new ATOM 8 N VAL A 2 30.544 -34.524 99.120 1.00 0.00 N ATOM 9 CA VAL A 2 30.343 -35.543 98.094 1.00 0.00 C ATOM 10 C VAL A 2 29.035 -36.281 98.325 1.00 0.00 C ATOM 11 O VAL A 2 28.271 -36.528 97.393 1.00 0.00 O ATOM 12 CB VAL A 2 31.480 -36.582 98.100 1.00 0.00 C ATOM 13 CG1 VAL A 2 31.157 -37.730 97.156 1.00 0.00 C ATOM 14 CG2 VAL A 2 32.786 -35.945 97.652 1.00 0.00 C ATOM 0 H VAL A 2 31.299 -34.734 99.773 1.00 0.00 H new ATOM 0 HA VAL A 2 30.326 -35.026 97.134 1.00 0.00 H new ATOM 0 HB VAL A 2 31.582 -36.957 99.118 1.00 0.00 H new ATOM 0 HG11 VAL A 2 31.971 -38.455 97.173 1.00 0.00 H new ATOM 0 HG12 VAL A 2 30.234 -38.214 97.474 1.00 0.00 H new ATOM 0 HG13 VAL A 2 31.035 -37.345 96.144 1.00 0.00 H new ATOM 0 HG21 VAL A 2 33.578 -36.694 97.662 1.00 0.00 H new ATOM 0 HG22 VAL A 2 32.671 -35.552 96.642 1.00 0.00 H new ATOM 0 HG23 VAL A 2 33.046 -35.132 98.330 1.00 0.00 H new ATOM 24 N ILE A 3 28.787 -36.630 99.584 1.00 0.00 N ATOM 25 CA ILE A 3 27.573 -37.343 99.971 1.00 0.00 C ATOM 26 C ILE A 3 26.350 -36.466 99.763 1.00 0.00 C ATOM 27 O ILE A 3 25.302 -36.930 99.319 1.00 0.00 O ATOM 28 CB ILE A 3 27.610 -37.758 101.454 1.00 0.00 C ATOM 29 CG1 ILE A 3 28.698 -38.808 101.686 1.00 0.00 C ATOM 30 CG2 ILE A 3 26.273 -38.347 101.876 1.00 0.00 C ATOM 31 CD1 ILE A 3 28.972 -39.091 103.147 1.00 0.00 C ATOM 0 H ILE A 3 29.417 -36.428 100.360 1.00 0.00 H new ATOM 0 HA ILE A 3 27.517 -38.233 99.344 1.00 0.00 H new ATOM 0 HB ILE A 3 27.823 -36.867 102.045 1.00 0.00 H new ATOM 0 HG12 ILE A 3 28.405 -39.736 101.195 1.00 0.00 H new ATOM 0 HG13 ILE A 3 29.620 -38.473 101.211 1.00 0.00 H new ATOM 0 HG21 ILE A 3 26.317 -38.635 102.926 1.00 0.00 H new ATOM 0 HG22 ILE A 3 25.488 -37.604 101.736 1.00 0.00 H new ATOM 0 HG23 ILE A 3 26.054 -39.225 101.268 1.00 0.00 H new ATOM 0 HD11 ILE A 3 29.755 -39.845 103.231 1.00 0.00 H new ATOM 0 HD12 ILE A 3 29.296 -38.175 103.640 1.00 0.00 H new ATOM 0 HD13 ILE A 3 28.063 -39.457 103.623 1.00 0.00 H new ATOM 43 N ASP A 4 26.500 -35.185 100.091 1.00 0.00 N ATOM 44 CA ASP A 4 25.420 -34.214 99.951 1.00 0.00 C ATOM 45 C ASP A 4 24.840 -34.260 98.546 1.00 0.00 C ATOM 46 O ASP A 4 23.628 -34.177 98.355 1.00 0.00 O ATOM 47 CB ASP A 4 25.935 -32.798 100.215 1.00 0.00 C ATOM 48 CG ASP A 4 26.252 -32.556 101.677 1.00 0.00 C ATOM 49 OD1 ASP A 4 26.539 -31.395 102.039 1.00 0.00 O ATOM 50 OD2 ASP A 4 26.214 -33.527 102.462 1.00 0.00 O ATOM 0 H ASP A 4 27.367 -34.794 100.459 1.00 0.00 H new ATOM 0 HA ASP A 4 24.649 -34.469 100.678 1.00 0.00 H new ATOM 0 HB2 ASP A 4 26.831 -32.624 99.619 1.00 0.00 H new ATOM 0 HB3 ASP A 4 25.188 -32.076 99.885 1.00 0.00 H new ATOM 56 N THR A 5 25.727 -34.395 97.563 1.00 0.00 N ATOM 57 CA THR A 5 25.331 -34.456 96.159 1.00 0.00 C ATOM 58 C THR A 5 25.191 -35.901 95.708 1.00 0.00 C ATOM 59 O THR A 5 24.843 -36.179 94.562 1.00 0.00 O ATOM 60 CB THR A 5 26.370 -33.775 95.249 1.00 0.00 C ATOM 61 OG1 THR A 5 27.628 -34.452 95.364 1.00 0.00 O ATOM 62 CG2 THR A 5 26.557 -32.319 95.651 1.00 0.00 C ATOM 0 H THR A 5 26.733 -34.465 97.716 1.00 0.00 H new ATOM 0 HA THR A 5 24.377 -33.935 96.076 1.00 0.00 H new ATOM 0 HB THR A 5 26.012 -33.821 94.221 1.00 0.00 H new ATOM 0 HG1 THR A 5 27.580 -35.110 96.089 1.00 0.00 H new ATOM 0 HG21 THR A 5 27.295 -31.853 94.998 1.00 0.00 H new ATOM 0 HG22 THR A 5 25.607 -31.792 95.560 1.00 0.00 H new ATOM 0 HG23 THR A 5 26.903 -32.268 96.683 1.00 0.00 H new ATOM 70 N SER A 6 25.469 -36.820 96.629 1.00 0.00 N ATOM 71 CA SER A 6 25.382 -38.251 96.353 1.00 0.00 C ATOM 72 C SER A 6 24.060 -38.585 95.681 1.00 0.00 C ATOM 73 O SER A 6 24.026 -39.099 94.564 1.00 0.00 O ATOM 74 CB SER A 6 25.480 -39.054 97.652 1.00 0.00 C ATOM 75 OG SER A 6 25.388 -40.445 97.399 1.00 0.00 O ATOM 0 H SER A 6 25.759 -36.596 97.581 1.00 0.00 H new ATOM 0 HA SER A 6 26.209 -38.512 95.693 1.00 0.00 H new ATOM 0 HB2 SER A 6 26.424 -38.833 98.149 1.00 0.00 H new ATOM 0 HB3 SER A 6 24.683 -38.751 98.332 1.00 0.00 H new ATOM 0 HG SER A 6 25.455 -40.936 98.244 1.00 0.00 H new ATOM 81 N ALA A 7 22.969 -38.286 96.380 1.00 0.00 N ATOM 82 CA ALA A 7 21.624 -38.544 95.874 1.00 0.00 C ATOM 83 C ALA A 7 21.388 -37.787 94.577 1.00 0.00 C ATOM 84 O ALA A 7 20.802 -38.311 93.631 1.00 0.00 O ATOM 85 CB ALA A 7 20.582 -38.099 96.888 1.00 0.00 C ATOM 0 H ALA A 7 22.991 -37.861 97.307 1.00 0.00 H new ATOM 0 HA ALA A 7 21.535 -39.616 95.696 1.00 0.00 H new ATOM 0 HB1 ALA A 7 19.585 -38.298 96.496 1.00 0.00 H new ATOM 0 HB2 ALA A 7 20.722 -38.648 97.819 1.00 0.00 H new ATOM 0 HB3 ALA A 7 20.691 -37.031 97.077 1.00 0.00 H new ATOM 91 N VAL A 8 21.854 -36.542 94.546 1.00 0.00 N ATOM 92 CA VAL A 8 21.709 -35.683 93.374 1.00 0.00 C ATOM 93 C VAL A 8 22.455 -36.271 92.188 1.00 0.00 C ATOM 94 O VAL A 8 21.964 -36.262 91.060 1.00 0.00 O ATOM 95 CB VAL A 8 22.271 -34.273 93.635 1.00 0.00 C ATOM 96 CG1 VAL A 8 22.301 -33.465 92.346 1.00 0.00 C ATOM 97 CG2 VAL A 8 21.407 -33.534 94.645 1.00 0.00 C ATOM 0 H VAL A 8 22.340 -36.102 95.327 1.00 0.00 H new ATOM 0 HA VAL A 8 20.642 -35.616 93.160 1.00 0.00 H new ATOM 0 HB VAL A 8 23.282 -34.385 94.025 1.00 0.00 H new ATOM 0 HG11 VAL A 8 22.701 -32.471 92.549 1.00 0.00 H new ATOM 0 HG12 VAL A 8 22.934 -33.969 91.615 1.00 0.00 H new ATOM 0 HG13 VAL A 8 21.290 -33.375 91.949 1.00 0.00 H new ATOM 0 HG21 VAL A 8 21.819 -32.540 94.817 1.00 0.00 H new ATOM 0 HG22 VAL A 8 20.392 -33.444 94.259 1.00 0.00 H new ATOM 0 HG23 VAL A 8 21.390 -34.088 95.584 1.00 0.00 H new ATOM 107 N GLU A 9 23.652 -36.783 92.458 1.00 0.00 N ATOM 108 CA GLU A 9 24.494 -37.386 91.428 1.00 0.00 C ATOM 109 C GLU A 9 23.755 -38.517 90.731 1.00 0.00 C ATOM 110 O GLU A 9 23.858 -38.692 89.518 1.00 0.00 O ATOM 111 CB GLU A 9 25.774 -37.953 92.046 1.00 0.00 C ATOM 112 CG GLU A 9 26.744 -38.540 91.034 1.00 0.00 C ATOM 113 CD GLU A 9 28.021 -39.046 91.677 1.00 0.00 C ATOM 114 OE1 GLU A 9 28.145 -38.938 92.915 1.00 0.00 O ATOM 115 OE2 GLU A 9 28.897 -39.549 90.943 1.00 0.00 O ATOM 0 H GLU A 9 24.064 -36.792 93.391 1.00 0.00 H new ATOM 0 HA GLU A 9 24.745 -36.608 90.707 1.00 0.00 H new ATOM 0 HB2 GLU A 9 26.279 -37.162 92.600 1.00 0.00 H new ATOM 0 HB3 GLU A 9 25.506 -38.726 92.767 1.00 0.00 H new ATOM 0 HG2 GLU A 9 26.259 -39.360 90.504 1.00 0.00 H new ATOM 0 HG3 GLU A 9 26.991 -37.782 90.291 1.00 0.00 H new ATOM 123 N SER A 10 23.006 -39.284 91.517 1.00 0.00 N ATOM 124 CA SER A 10 22.234 -40.411 91.001 1.00 0.00 C ATOM 125 C SER A 10 20.924 -39.930 90.400 1.00 0.00 C ATOM 126 O SER A 10 20.555 -40.311 89.291 1.00 0.00 O ATOM 127 CB SER A 10 21.916 -41.401 92.123 1.00 0.00 C ATOM 128 OG SER A 10 23.100 -41.974 92.650 1.00 0.00 O ATOM 0 H SER A 10 22.917 -39.144 92.523 1.00 0.00 H new ATOM 0 HA SER A 10 22.835 -40.900 90.234 1.00 0.00 H new ATOM 0 HB2 SER A 10 21.370 -40.892 92.917 1.00 0.00 H new ATOM 0 HB3 SER A 10 21.265 -42.189 91.743 1.00 0.00 H new ATOM 0 HG SER A 10 22.869 -42.601 93.366 1.00 0.00 H new ATOM 134 N ALA A 11 20.225 -39.082 91.151 1.00 0.00 N ATOM 135 CA ALA A 11 18.947 -38.528 90.716 1.00 0.00 C ATOM 136 C ALA A 11 19.142 -37.611 89.520 1.00 0.00 C ATOM 137 O ALA A 11 18.336 -37.596 88.591 1.00 0.00 O ATOM 138 CB ALA A 11 18.308 -37.725 91.839 1.00 0.00 C ATOM 0 H ALA A 11 20.526 -38.762 92.071 1.00 0.00 H new ATOM 0 HA ALA A 11 18.300 -39.361 90.440 1.00 0.00 H new ATOM 0 HB1 ALA A 11 17.356 -37.318 91.499 1.00 0.00 H new ATOM 0 HB2 ALA A 11 18.140 -38.373 92.699 1.00 0.00 H new ATOM 0 HB3 ALA A 11 18.970 -36.908 92.124 1.00 0.00 H new ATOM 144 N ILE A 12 20.227 -36.843 89.556 1.00 0.00 N ATOM 145 CA ILE A 12 20.559 -35.909 88.485 1.00 0.00 C ATOM 146 C ILE A 12 20.909 -36.661 87.212 1.00 0.00 C ATOM 147 O ILE A 12 20.445 -36.322 86.124 1.00 0.00 O ATOM 148 CB ILE A 12 21.764 -35.026 88.859 1.00 0.00 C ATOM 149 CG1 ILE A 12 21.401 -34.091 90.015 1.00 0.00 C ATOM 150 CG2 ILE A 12 22.194 -34.179 87.671 1.00 0.00 C ATOM 151 CD1 ILE A 12 20.265 -33.143 89.700 1.00 0.00 C ATOM 0 H ILE A 12 20.898 -36.850 90.324 1.00 0.00 H new ATOM 0 HA ILE A 12 19.681 -35.281 88.330 1.00 0.00 H new ATOM 0 HB ILE A 12 22.580 -35.684 89.156 1.00 0.00 H new ATOM 0 HG12 ILE A 12 21.131 -34.691 90.884 1.00 0.00 H new ATOM 0 HG13 ILE A 12 22.281 -33.510 90.290 1.00 0.00 H new ATOM 0 HG21 ILE A 12 23.047 -33.562 87.954 1.00 0.00 H new ATOM 0 HG22 ILE A 12 22.476 -34.830 86.843 1.00 0.00 H new ATOM 0 HG23 ILE A 12 21.368 -33.538 87.363 1.00 0.00 H new ATOM 0 HD11 ILE A 12 20.066 -32.513 90.567 1.00 0.00 H new ATOM 0 HD12 ILE A 12 20.539 -32.516 88.851 1.00 0.00 H new ATOM 0 HD13 ILE A 12 19.371 -33.716 89.455 1.00 0.00 H new ATOM 163 N THR A 13 21.738 -37.691 87.363 1.00 0.00 N ATOM 164 CA THR A 13 22.172 -38.515 86.238 1.00 0.00 C ATOM 165 C THR A 13 20.990 -39.253 85.632 1.00 0.00 C ATOM 166 O THR A 13 20.855 -39.348 84.413 1.00 0.00 O ATOM 167 CB THR A 13 23.212 -39.564 86.675 1.00 0.00 C ATOM 168 OG1 THR A 13 24.378 -38.903 87.182 1.00 0.00 O ATOM 169 CG2 THR A 13 23.615 -40.437 85.496 1.00 0.00 C ATOM 0 H THR A 13 22.126 -37.977 88.262 1.00 0.00 H new ATOM 0 HA THR A 13 22.619 -37.842 85.506 1.00 0.00 H new ATOM 0 HB THR A 13 22.768 -40.189 87.450 1.00 0.00 H new ATOM 0 HG1 THR A 13 24.453 -39.065 88.146 1.00 0.00 H new ATOM 0 HG21 THR A 13 24.350 -41.173 85.822 1.00 0.00 H new ATOM 0 HG22 THR A 13 22.736 -40.951 85.106 1.00 0.00 H new ATOM 0 HG23 THR A 13 24.048 -39.814 84.713 1.00 0.00 H new ATOM 177 N ASP A 14 20.131 -39.778 86.503 1.00 0.00 N ATOM 178 CA ASP A 14 18.946 -40.518 86.081 1.00 0.00 C ATOM 179 C ASP A 14 17.945 -39.585 85.420 1.00 0.00 C ATOM 180 O ASP A 14 17.448 -39.857 84.328 1.00 0.00 O ATOM 181 CB ASP A 14 18.270 -41.179 87.284 1.00 0.00 C ATOM 182 CG ASP A 14 19.071 -42.343 87.834 1.00 0.00 C ATOM 183 OD1 ASP A 14 18.557 -43.047 88.729 1.00 0.00 O ATOM 184 OD2 ASP A 14 20.211 -42.552 87.371 1.00 0.00 O ATOM 0 H ASP A 14 20.236 -39.703 87.515 1.00 0.00 H new ATOM 0 HA ASP A 14 19.266 -41.281 85.372 1.00 0.00 H new ATOM 0 HB2 ASP A 14 18.128 -40.437 88.070 1.00 0.00 H new ATOM 0 HB3 ASP A 14 17.280 -41.529 86.993 1.00 0.00 H new ATOM 190 N GLY A 15 17.654 -38.479 86.098 1.00 0.00 N ATOM 191 CA GLY A 15 16.712 -37.482 85.598 1.00 0.00 C ATOM 192 C GLY A 15 17.399 -36.540 84.623 1.00 0.00 C ATOM 193 O GLY A 15 17.112 -36.541 83.427 1.00 0.00 O ATOM 0 H GLY A 15 18.062 -38.249 87.004 1.00 0.00 H new ATOM 0 HA2 GLY A 15 15.876 -37.978 85.105 1.00 0.00 H new ATOM 0 HA3 GLY A 15 16.299 -36.914 86.431 1.00 0.00 H new ATOM 197 N GLN A 16 18.314 -35.733 85.152 1.00 0.00 N ATOM 198 CA GLN A 16 19.064 -34.771 84.350 1.00 0.00 C ATOM 199 C GLN A 16 19.634 -35.441 83.110 1.00 0.00 C ATOM 200 O GLN A 16 19.408 -34.997 81.986 1.00 0.00 O ATOM 201 CB GLN A 16 20.223 -34.186 85.160 1.00 0.00 C ATOM 202 CG GLN A 16 21.035 -33.140 84.415 1.00 0.00 C ATOM 203 CD GLN A 16 20.227 -31.900 84.087 1.00 0.00 C ATOM 204 OE1 GLN A 16 20.192 -31.538 82.810 1.00 0.00 O flip ATOM 205 NE2 GLN A 16 19.642 -31.277 84.973 1.00 0.00 N flip ATOM 0 H GLN A 16 18.556 -35.727 86.143 1.00 0.00 H new ATOM 0 HA GLN A 16 18.378 -33.976 84.058 1.00 0.00 H new ATOM 0 HB2 GLN A 16 19.826 -33.740 86.072 1.00 0.00 H new ATOM 0 HB3 GLN A 16 20.886 -34.997 85.463 1.00 0.00 H new ATOM 0 HG2 GLN A 16 21.898 -32.858 85.018 1.00 0.00 H new ATOM 0 HG3 GLN A 16 21.419 -33.573 83.492 1.00 0.00 H new ATOM 0 HE21 GLN A 16 19.698 -31.594 85.941 1.00 0.00 H new ATOM 0 HE22 GLN A 16 19.101 -30.444 84.739 1.00 0.00 H new ATOM 214 N GLY A 17 20.378 -36.521 83.332 1.00 0.00 N ATOM 215 CA GLY A 17 20.997 -37.277 82.247 1.00 0.00 C ATOM 216 C GLY A 17 19.967 -37.625 81.185 1.00 0.00 C ATOM 217 O GLY A 17 20.199 -37.445 79.991 1.00 0.00 O ATOM 0 H GLY A 17 20.568 -36.895 84.262 1.00 0.00 H new ATOM 0 HA2 GLY A 17 21.803 -36.693 81.803 1.00 0.00 H new ATOM 0 HA3 GLY A 17 21.444 -38.190 82.641 1.00 0.00 H new ATOM 221 N ASP A 18 18.822 -38.128 81.638 1.00 0.00 N ATOM 222 CA ASP A 18 17.732 -38.512 80.746 1.00 0.00 C ATOM 223 C ASP A 18 17.325 -37.340 79.867 1.00 0.00 C ATOM 224 O ASP A 18 16.618 -37.505 78.874 1.00 0.00 O ATOM 225 CB ASP A 18 16.511 -38.958 81.553 1.00 0.00 C ATOM 226 CG ASP A 18 16.725 -40.289 82.246 1.00 0.00 C ATOM 227 OD1 ASP A 18 15.769 -41.091 82.301 1.00 0.00 O ATOM 228 OD2 ASP A 18 17.849 -40.530 82.735 1.00 0.00 O ATOM 0 H ASP A 18 18.624 -38.280 82.627 1.00 0.00 H new ATOM 0 HA ASP A 18 18.086 -39.335 80.125 1.00 0.00 H new ATOM 0 HB2 ASP A 18 16.275 -38.198 82.298 1.00 0.00 H new ATOM 0 HB3 ASP A 18 15.649 -39.032 80.890 1.00 0.00 H new ATOM 234 N MET A 19 17.783 -36.151 80.246 1.00 0.00 N ATOM 235 CA MET A 19 17.482 -34.928 79.509 1.00 0.00 C ATOM 236 C MET A 19 18.095 -34.979 78.119 1.00 0.00 C ATOM 237 O MET A 19 17.468 -34.596 77.133 1.00 0.00 O ATOM 238 CB MET A 19 18.046 -33.709 80.241 1.00 0.00 C ATOM 239 CG MET A 19 17.706 -32.380 79.587 1.00 0.00 C ATOM 240 SD MET A 19 18.376 -30.969 80.487 1.00 0.00 S ATOM 241 CE MET A 19 17.365 -31.000 81.965 1.00 0.00 C ATOM 0 H MET A 19 18.370 -36.008 81.068 1.00 0.00 H new ATOM 0 HA MET A 19 16.398 -34.845 79.432 1.00 0.00 H new ATOM 0 HB2 MET A 19 17.668 -33.706 81.263 1.00 0.00 H new ATOM 0 HB3 MET A 19 19.130 -33.805 80.302 1.00 0.00 H new ATOM 0 HG2 MET A 19 18.092 -32.372 78.568 1.00 0.00 H new ATOM 0 HG3 MET A 19 16.623 -32.280 79.518 1.00 0.00 H new ATOM 0 HE1 MET A 19 17.479 -30.059 82.504 1.00 0.00 H new ATOM 0 HE2 MET A 19 16.319 -31.135 81.688 1.00 0.00 H new ATOM 0 HE3 MET A 19 17.680 -31.825 82.604 1.00 0.00 H new ATOM 251 N LYS A 20 19.333 -35.461 78.054 1.00 0.00 N ATOM 252 CA LYS A 20 20.060 -35.576 76.793 1.00 0.00 C ATOM 253 C LYS A 20 19.287 -36.441 75.810 1.00 0.00 C ATOM 254 O LYS A 20 19.200 -36.132 74.623 1.00 0.00 O ATOM 255 CB LYS A 20 21.432 -36.212 77.022 1.00 0.00 C ATOM 256 CG LYS A 20 22.286 -36.314 75.768 1.00 0.00 C ATOM 257 CD LYS A 20 23.653 -36.902 76.078 1.00 0.00 C ATOM 258 CE LYS A 20 24.501 -37.018 74.822 1.00 0.00 C ATOM 259 NZ LYS A 20 25.849 -37.582 75.112 1.00 0.00 N ATOM 0 H LYS A 20 19.858 -35.781 78.868 1.00 0.00 H new ATOM 0 HA LYS A 20 20.181 -34.572 76.386 1.00 0.00 H new ATOM 0 HB2 LYS A 20 21.971 -35.629 77.769 1.00 0.00 H new ATOM 0 HB3 LYS A 20 21.293 -37.211 77.436 1.00 0.00 H new ATOM 0 HG2 LYS A 20 21.779 -36.935 75.030 1.00 0.00 H new ATOM 0 HG3 LYS A 20 22.405 -35.325 75.325 1.00 0.00 H new ATOM 0 HD2 LYS A 20 24.164 -36.275 76.808 1.00 0.00 H new ATOM 0 HD3 LYS A 20 23.534 -37.886 76.531 1.00 0.00 H new ATOM 0 HE2 LYS A 20 23.991 -37.652 74.097 1.00 0.00 H new ATOM 0 HE3 LYS A 20 24.610 -36.034 74.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 26.396 -37.645 74.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 26.346 -36.964 75.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 25.747 -38.531 75.524 1.00 0.00 H new ATOM 273 N ALA A 21 18.725 -37.532 76.323 1.00 0.00 N ATOM 274 CA ALA A 21 17.950 -38.465 75.511 1.00 0.00 C ATOM 275 C ALA A 21 16.652 -37.821 75.053 1.00 0.00 C ATOM 276 O ALA A 21 16.234 -37.977 73.907 1.00 0.00 O ATOM 277 CB ALA A 21 17.612 -39.712 76.313 1.00 0.00 C ATOM 0 H ALA A 21 18.793 -37.793 77.307 1.00 0.00 H new ATOM 0 HA ALA A 21 18.554 -38.734 74.645 1.00 0.00 H new ATOM 0 HB1 ALA A 21 17.034 -40.398 75.693 1.00 0.00 H new ATOM 0 HB2 ALA A 21 18.533 -40.200 76.632 1.00 0.00 H new ATOM 0 HB3 ALA A 21 17.026 -39.433 77.189 1.00 0.00 H new ATOM 283 N ILE A 22 16.018 -37.092 75.968 1.00 0.00 N ATOM 284 CA ILE A 22 14.758 -36.409 75.685 1.00 0.00 C ATOM 285 C ILE A 22 14.960 -35.340 74.623 1.00 0.00 C ATOM 286 O ILE A 22 14.215 -35.266 73.647 1.00 0.00 O ATOM 287 CB ILE A 22 14.191 -35.726 76.943 1.00 0.00 C ATOM 288 CG1 ILE A 22 13.762 -36.774 77.972 1.00 0.00 C ATOM 289 CG2 ILE A 22 12.981 -34.875 76.589 1.00 0.00 C ATOM 290 CD1 ILE A 22 13.425 -36.196 79.329 1.00 0.00 C ATOM 0 H ILE A 22 16.360 -36.958 76.920 1.00 0.00 H new ATOM 0 HA ILE A 22 14.057 -37.168 75.336 1.00 0.00 H new ATOM 0 HB ILE A 22 14.975 -35.095 77.361 1.00 0.00 H new ATOM 0 HG12 ILE A 22 12.893 -37.310 77.590 1.00 0.00 H new ATOM 0 HG13 ILE A 22 14.562 -37.505 78.087 1.00 0.00 H new ATOM 0 HG21 ILE A 22 12.594 -34.400 77.491 1.00 0.00 H new ATOM 0 HG22 ILE A 22 13.273 -34.108 75.872 1.00 0.00 H new ATOM 0 HG23 ILE A 22 12.208 -35.506 76.151 1.00 0.00 H new ATOM 0 HD11 ILE A 22 13.130 -37.000 80.004 1.00 0.00 H new ATOM 0 HD12 ILE A 22 14.298 -35.685 79.734 1.00 0.00 H new ATOM 0 HD13 ILE A 22 12.603 -35.487 79.229 1.00 0.00 H new ATOM 302 N GLY A 23 15.979 -34.512 74.827 1.00 0.00 N ATOM 303 CA GLY A 23 16.306 -33.432 73.899 1.00 0.00 C ATOM 304 C GLY A 23 16.775 -33.998 72.568 1.00 0.00 C ATOM 305 O GLY A 23 16.372 -33.535 71.502 1.00 0.00 O ATOM 0 H GLY A 23 16.599 -34.569 75.635 1.00 0.00 H new ATOM 0 HA2 GLY A 23 15.431 -32.800 73.744 1.00 0.00 H new ATOM 0 HA3 GLY A 23 17.084 -32.800 74.327 1.00 0.00 H new ATOM 309 N GLY A 24 17.635 -35.010 72.645 1.00 0.00 N ATOM 310 CA GLY A 24 18.179 -35.662 71.458 1.00 0.00 C ATOM 311 C GLY A 24 17.088 -36.420 70.719 1.00 0.00 C ATOM 312 O GLY A 24 16.870 -36.218 69.526 1.00 0.00 O ATOM 0 H GLY A 24 17.972 -35.399 73.526 1.00 0.00 H new ATOM 0 HA2 GLY A 24 18.623 -34.917 70.798 1.00 0.00 H new ATOM 0 HA3 GLY A 24 18.976 -36.348 71.746 1.00 0.00 H new ATOM 316 N TYR A 25 16.405 -37.299 71.447 1.00 0.00 N ATOM 317 CA TYR A 25 15.326 -38.106 70.885 1.00 0.00 C ATOM 318 C TYR A 25 14.267 -37.216 70.256 1.00 0.00 C ATOM 319 O TYR A 25 13.723 -37.525 69.197 1.00 0.00 O ATOM 320 CB TYR A 25 14.663 -38.949 71.976 1.00 0.00 C ATOM 321 CG TYR A 25 13.521 -39.806 71.479 1.00 0.00 C ATOM 322 CD1 TYR A 25 13.767 -40.990 70.795 1.00 0.00 C ATOM 323 CD2 TYR A 25 12.202 -39.430 71.696 1.00 0.00 C ATOM 324 CE1 TYR A 25 12.730 -41.780 70.337 1.00 0.00 C ATOM 325 CE2 TYR A 25 11.152 -40.207 71.245 1.00 0.00 C ATOM 326 CZ TYR A 25 11.427 -41.391 70.561 1.00 0.00 C ATOM 327 OH TYR A 25 10.392 -42.176 70.106 1.00 0.00 O ATOM 0 H TYR A 25 16.582 -37.471 72.437 1.00 0.00 H new ATOM 0 HA TYR A 25 15.760 -38.757 70.126 1.00 0.00 H new ATOM 0 HB2 TYR A 25 15.416 -39.592 72.432 1.00 0.00 H new ATOM 0 HB3 TYR A 25 14.293 -38.287 72.759 1.00 0.00 H new ATOM 0 HD1 TYR A 25 14.787 -41.298 70.618 1.00 0.00 H new ATOM 0 HD2 TYR A 25 11.993 -38.513 72.227 1.00 0.00 H new ATOM 0 HE1 TYR A 25 12.939 -42.697 69.806 1.00 0.00 H new ATOM 0 HE2 TYR A 25 10.131 -39.901 71.420 1.00 0.00 H new ATOM 0 HH TYR A 25 9.537 -41.762 70.346 1.00 0.00 H new ATOM 337 N ILE A 26 13.982 -36.102 70.924 1.00 0.00 N ATOM 338 CA ILE A 26 12.988 -35.141 70.452 1.00 0.00 C ATOM 339 C ILE A 26 13.536 -34.341 69.282 1.00 0.00 C ATOM 340 O ILE A 26 12.858 -34.139 68.276 1.00 0.00 O ATOM 341 CB ILE A 26 12.592 -34.148 71.561 1.00 0.00 C ATOM 342 CG1 ILE A 26 11.847 -34.872 72.684 1.00 0.00 C ATOM 343 CG2 ILE A 26 11.685 -33.061 71.003 1.00 0.00 C ATOM 344 CD1 ILE A 26 11.637 -34.028 73.921 1.00 0.00 C ATOM 0 H ILE A 26 14.430 -35.840 71.802 1.00 0.00 H new ATOM 0 HA ILE A 26 12.113 -35.714 70.147 1.00 0.00 H new ATOM 0 HB ILE A 26 13.506 -33.701 71.951 1.00 0.00 H new ATOM 0 HG12 ILE A 26 10.877 -35.200 72.311 1.00 0.00 H new ATOM 0 HG13 ILE A 26 12.404 -35.768 72.957 1.00 0.00 H new ATOM 0 HG21 ILE A 26 11.415 -32.368 71.800 1.00 0.00 H new ATOM 0 HG22 ILE A 26 12.208 -32.521 70.214 1.00 0.00 H new ATOM 0 HG23 ILE A 26 10.782 -33.515 70.595 1.00 0.00 H new ATOM 0 HD11 ILE A 26 11.102 -34.610 74.672 1.00 0.00 H new ATOM 0 HD12 ILE A 26 12.604 -33.721 74.320 1.00 0.00 H new ATOM 0 HD13 ILE A 26 11.053 -33.144 73.664 1.00 0.00 H new ATOM 356 N VAL A 27 14.777 -33.886 69.428 1.00 0.00 N ATOM 357 CA VAL A 27 15.447 -33.099 68.395 1.00 0.00 C ATOM 358 C VAL A 27 15.880 -33.993 67.244 1.00 0.00 C ATOM 359 O VAL A 27 15.934 -33.565 66.092 1.00 0.00 O ATOM 360 CB VAL A 27 16.701 -32.395 68.946 1.00 0.00 C ATOM 361 CG1 VAL A 27 17.479 -31.734 67.819 1.00 0.00 C ATOM 362 CG2 VAL A 27 16.311 -31.324 69.954 1.00 0.00 C ATOM 0 H VAL A 27 15.344 -34.050 70.260 1.00 0.00 H new ATOM 0 HA VAL A 27 14.732 -32.352 68.052 1.00 0.00 H new ATOM 0 HB VAL A 27 17.320 -33.150 69.430 1.00 0.00 H new ATOM 0 HG11 VAL A 27 18.362 -31.241 68.226 1.00 0.00 H new ATOM 0 HG12 VAL A 27 17.786 -32.490 67.097 1.00 0.00 H new ATOM 0 HG13 VAL A 27 16.847 -30.996 67.325 1.00 0.00 H new ATOM 0 HG21 VAL A 27 17.209 -30.837 70.333 1.00 0.00 H new ATOM 0 HG22 VAL A 27 15.673 -30.584 69.470 1.00 0.00 H new ATOM 0 HG23 VAL A 27 15.770 -31.783 70.782 1.00 0.00 H new ATOM 372 N GLY A 28 16.190 -35.244 67.572 1.00 0.00 N ATOM 373 CA GLY A 28 16.625 -36.225 66.583 1.00 0.00 C ATOM 374 C GLY A 28 15.443 -36.706 65.755 1.00 0.00 C ATOM 375 O GLY A 28 15.604 -37.173 64.629 1.00 0.00 O ATOM 0 H GLY A 28 16.147 -35.605 68.525 1.00 0.00 H new ATOM 0 HA2 GLY A 28 17.378 -35.783 65.930 1.00 0.00 H new ATOM 0 HA3 GLY A 28 17.094 -37.072 67.084 1.00 0.00 H new ATOM 379 N ALA A 29 14.251 -36.583 66.331 1.00 0.00 N ATOM 380 CA ALA A 29 13.018 -36.999 65.669 1.00 0.00 C ATOM 381 C ALA A 29 12.500 -35.891 64.764 1.00 0.00 C ATOM 382 O ALA A 29 11.909 -36.149 63.717 1.00 0.00 O ATOM 383 CB ALA A 29 11.946 -37.321 66.699 1.00 0.00 C ATOM 0 H ALA A 29 14.112 -36.195 67.264 1.00 0.00 H new ATOM 0 HA ALA A 29 13.240 -37.886 65.076 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.033 -37.629 66.190 1.00 0.00 H new ATOM 0 HB2 ALA A 29 12.292 -38.128 67.344 1.00 0.00 H new ATOM 0 HB3 ALA A 29 11.744 -36.436 67.302 1.00 0.00 H new ATOM 389 N LEU A 30 12.732 -34.652 65.185 1.00 0.00 N ATOM 390 CA LEU A 30 12.299 -33.479 64.430 1.00 0.00 C ATOM 391 C LEU A 30 12.844 -33.528 63.012 1.00 0.00 C ATOM 392 O LEU A 30 12.224 -33.028 62.075 1.00 0.00 O ATOM 393 CB LEU A 30 12.801 -32.197 65.097 1.00 0.00 C ATOM 394 CG LEU A 30 12.149 -31.826 66.430 1.00 0.00 C ATOM 395 CD1 LEU A 30 12.827 -30.609 67.041 1.00 0.00 C ATOM 396 CD2 LEU A 30 10.675 -31.502 66.236 1.00 0.00 C ATOM 0 H LEU A 30 13.222 -34.432 66.052 1.00 0.00 H new ATOM 0 HA LEU A 30 11.209 -33.482 64.408 1.00 0.00 H new ATOM 0 HB2 LEU A 30 13.875 -32.292 65.256 1.00 0.00 H new ATOM 0 HB3 LEU A 30 12.654 -31.370 64.402 1.00 0.00 H new ATOM 0 HG LEU A 30 12.257 -32.683 67.095 1.00 0.00 H new ATOM 0 HD11 LEU A 30 12.347 -30.363 67.988 1.00 0.00 H new ATOM 0 HD12 LEU A 30 13.881 -30.828 67.214 1.00 0.00 H new ATOM 0 HD13 LEU A 30 12.739 -29.763 66.359 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.230 -31.241 67.196 1.00 0.00 H new ATOM 0 HD22 LEU A 30 10.575 -30.662 65.549 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.163 -32.371 65.823 1.00 0.00 H new ATOM 408 N VAL A 31 14.016 -34.138 62.867 1.00 0.00 N ATOM 409 CA VAL A 31 14.674 -34.269 61.569 1.00 0.00 C ATOM 410 C VAL A 31 13.743 -34.932 60.567 1.00 0.00 C ATOM 411 O VAL A 31 13.750 -34.607 59.381 1.00 0.00 O ATOM 412 CB VAL A 31 15.951 -35.124 61.667 1.00 0.00 C ATOM 413 CG1 VAL A 31 16.491 -35.437 60.280 1.00 0.00 C ATOM 414 CG2 VAL A 31 17.028 -34.384 62.446 1.00 0.00 C ATOM 0 H VAL A 31 14.535 -34.554 63.640 1.00 0.00 H new ATOM 0 HA VAL A 31 14.935 -33.262 61.242 1.00 0.00 H new ATOM 0 HB VAL A 31 15.692 -36.050 62.180 1.00 0.00 H new ATOM 0 HG11 VAL A 31 17.393 -36.042 60.369 1.00 0.00 H new ATOM 0 HG12 VAL A 31 15.740 -35.987 59.713 1.00 0.00 H new ATOM 0 HG13 VAL A 31 16.727 -34.507 59.763 1.00 0.00 H new ATOM 0 HG21 VAL A 31 17.924 -35.002 62.506 1.00 0.00 H new ATOM 0 HG22 VAL A 31 17.266 -33.449 61.939 1.00 0.00 H new ATOM 0 HG23 VAL A 31 16.667 -34.170 63.452 1.00 0.00 H new ATOM 424 N ILE A 32 12.940 -35.870 61.061 1.00 0.00 N ATOM 425 CA ILE A 32 11.989 -36.601 60.228 1.00 0.00 C ATOM 426 C ILE A 32 10.922 -35.662 59.690 1.00 0.00 C ATOM 427 O ILE A 32 10.540 -35.734 58.523 1.00 0.00 O ATOM 428 CB ILE A 32 11.283 -37.715 61.023 1.00 0.00 C ATOM 429 CG1 ILE A 32 12.282 -38.805 61.417 1.00 0.00 C ATOM 430 CG2 ILE A 32 10.182 -38.350 60.186 1.00 0.00 C ATOM 431 CD1 ILE A 32 11.731 -39.810 62.405 1.00 0.00 C ATOM 0 H ILE A 32 12.929 -36.144 62.043 1.00 0.00 H new ATOM 0 HA ILE A 32 12.558 -37.042 59.410 1.00 0.00 H new ATOM 0 HB ILE A 32 10.854 -37.265 61.918 1.00 0.00 H new ATOM 0 HG12 ILE A 32 12.604 -39.332 60.519 1.00 0.00 H new ATOM 0 HG13 ILE A 32 13.167 -38.336 61.846 1.00 0.00 H new ATOM 0 HG21 ILE A 32 9.693 -39.135 60.763 1.00 0.00 H new ATOM 0 HG22 ILE A 32 9.449 -37.591 59.913 1.00 0.00 H new ATOM 0 HG23 ILE A 32 10.614 -38.779 59.282 1.00 0.00 H new ATOM 0 HD11 ILE A 32 12.497 -40.551 62.636 1.00 0.00 H new ATOM 0 HD12 ILE A 32 11.435 -39.296 63.320 1.00 0.00 H new ATOM 0 HD13 ILE A 32 10.863 -40.308 61.972 1.00 0.00 H new ATOM 443 N LEU A 33 10.445 -34.776 60.560 1.00 0.00 N ATOM 444 CA LEU A 33 9.416 -33.805 60.199 1.00 0.00 C ATOM 445 C LEU A 33 9.921 -32.875 59.108 1.00 0.00 C ATOM 446 O LEU A 33 9.244 -32.640 58.108 1.00 0.00 O ATOM 447 CB LEU A 33 9.027 -32.959 61.414 1.00 0.00 C ATOM 448 CG LEU A 33 8.217 -33.667 62.501 1.00 0.00 C ATOM 449 CD1 LEU A 33 8.011 -32.753 63.699 1.00 0.00 C ATOM 450 CD2 LEU A 33 6.849 -34.074 61.973 1.00 0.00 C ATOM 0 H LEU A 33 10.758 -34.711 61.529 1.00 0.00 H new ATOM 0 HA LEU A 33 8.548 -34.359 59.841 1.00 0.00 H new ATOM 0 HB2 LEU A 33 9.939 -32.570 61.866 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.453 -32.101 61.064 1.00 0.00 H new ATOM 0 HG LEU A 33 8.778 -34.552 62.801 1.00 0.00 H new ATOM 0 HD11 LEU A 33 7.433 -33.276 64.461 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.979 -32.469 64.111 1.00 0.00 H new ATOM 0 HD13 LEU A 33 7.473 -31.858 63.386 1.00 0.00 H new ATOM 0 HD21 LEU A 33 6.289 -34.576 62.762 1.00 0.00 H new ATOM 0 HD22 LEU A 33 6.305 -33.186 61.650 1.00 0.00 H new ATOM 0 HD23 LEU A 33 6.972 -34.751 61.128 1.00 0.00 H new ATOM 462 N ALA A 34 11.124 -32.348 59.314 1.00 0.00 N ATOM 463 CA ALA A 34 11.750 -31.436 58.360 1.00 0.00 C ATOM 464 C ALA A 34 11.906 -32.107 57.005 1.00 0.00 C ATOM 465 O ALA A 34 11.678 -31.495 55.962 1.00 0.00 O ATOM 466 CB ALA A 34 13.127 -31.018 58.852 1.00 0.00 C ATOM 0 H ALA A 34 11.690 -32.539 60.141 1.00 0.00 H new ATOM 0 HA ALA A 34 11.108 -30.560 58.266 1.00 0.00 H new ATOM 0 HB1 ALA A 34 13.580 -30.339 58.130 1.00 0.00 H new ATOM 0 HB2 ALA A 34 13.032 -30.515 59.814 1.00 0.00 H new ATOM 0 HB3 ALA A 34 13.757 -31.901 58.965 1.00 0.00 H new ATOM 472 N VAL A 35 12.298 -33.377 57.034 1.00 0.00 N ATOM 473 CA VAL A 35 12.493 -34.161 55.818 1.00 0.00 C ATOM 474 C VAL A 35 11.227 -34.163 54.977 1.00 0.00 C ATOM 475 O VAL A 35 11.273 -34.006 53.758 1.00 0.00 O ATOM 476 CB VAL A 35 12.849 -35.624 56.141 1.00 0.00 C ATOM 477 CG1 VAL A 35 12.842 -36.466 54.874 1.00 0.00 C ATOM 478 CG2 VAL A 35 14.233 -35.710 56.767 1.00 0.00 C ATOM 0 H VAL A 35 12.489 -33.890 57.895 1.00 0.00 H new ATOM 0 HA VAL A 35 13.315 -33.698 55.271 1.00 0.00 H new ATOM 0 HB VAL A 35 12.102 -36.001 56.840 1.00 0.00 H new ATOM 0 HG11 VAL A 35 13.096 -37.497 55.121 1.00 0.00 H new ATOM 0 HG12 VAL A 35 11.851 -36.435 54.422 1.00 0.00 H new ATOM 0 HG13 VAL A 35 13.575 -36.071 54.170 1.00 0.00 H new ATOM 0 HG21 VAL A 35 14.468 -36.751 56.989 1.00 0.00 H new ATOM 0 HG22 VAL A 35 14.972 -35.311 56.072 1.00 0.00 H new ATOM 0 HG23 VAL A 35 14.252 -35.129 57.689 1.00 0.00 H new ATOM 488 N ALA A 36 10.093 -34.344 55.647 1.00 0.00 N ATOM 489 CA ALA A 36 8.791 -34.371 54.985 1.00 0.00 C ATOM 490 C ALA A 36 8.478 -33.017 54.371 1.00 0.00 C ATOM 491 O ALA A 36 8.045 -32.923 53.223 1.00 0.00 O ATOM 492 CB ALA A 36 7.696 -34.712 55.983 1.00 0.00 C ATOM 0 H ALA A 36 10.049 -34.475 56.658 1.00 0.00 H new ATOM 0 HA ALA A 36 8.830 -35.130 54.204 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.732 -34.728 55.474 1.00 0.00 H new ATOM 0 HB2 ALA A 36 7.893 -35.692 56.419 1.00 0.00 H new ATOM 0 HB3 ALA A 36 7.677 -33.961 56.773 1.00 0.00 H new ATOM 498 N GLY A 37 8.703 -31.965 55.153 1.00 0.00 N ATOM 499 CA GLY A 37 8.452 -30.596 54.712 1.00 0.00 C ATOM 500 C GLY A 37 9.089 -30.351 53.353 1.00 0.00 C ATOM 501 O GLY A 37 8.408 -30.026 52.381 1.00 0.00 O ATOM 0 H GLY A 37 9.062 -32.036 56.105 1.00 0.00 H new ATOM 0 HA2 GLY A 37 7.378 -30.417 54.655 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.854 -29.893 55.441 1.00 0.00 H new ATOM 505 N LEU A 38 10.408 -30.511 53.299 1.00 0.00 N ATOM 506 CA LEU A 38 11.168 -30.313 52.068 1.00 0.00 C ATOM 507 C LEU A 38 10.692 -31.271 50.989 1.00 0.00 C ATOM 508 O LEU A 38 10.591 -30.910 49.818 1.00 0.00 O ATOM 509 CB LEU A 38 12.658 -30.561 52.312 1.00 0.00 C ATOM 510 CG LEU A 38 13.391 -29.514 53.153 1.00 0.00 C ATOM 511 CD1 LEU A 38 14.823 -29.948 53.423 1.00 0.00 C ATOM 512 CD2 LEU A 38 13.427 -28.175 52.432 1.00 0.00 C ATOM 0 H LEU A 38 10.977 -30.780 54.101 1.00 0.00 H new ATOM 0 HA LEU A 38 11.013 -29.284 51.744 1.00 0.00 H new ATOM 0 HB2 LEU A 38 12.768 -31.530 52.800 1.00 0.00 H new ATOM 0 HB3 LEU A 38 13.156 -30.633 51.345 1.00 0.00 H new ATOM 0 HG LEU A 38 12.850 -29.414 54.094 1.00 0.00 H new ATOM 0 HD11 LEU A 38 15.326 -29.189 54.022 1.00 0.00 H new ATOM 0 HD12 LEU A 38 14.821 -30.895 53.963 1.00 0.00 H new ATOM 0 HD13 LEU A 38 15.350 -30.072 52.477 1.00 0.00 H new ATOM 0 HD21 LEU A 38 13.953 -27.445 53.047 1.00 0.00 H new ATOM 0 HD22 LEU A 38 13.946 -28.288 51.480 1.00 0.00 H new ATOM 0 HD23 LEU A 38 12.408 -27.831 52.251 1.00 0.00 H new ATOM 524 N ILE A 39 10.400 -32.501 51.400 1.00 0.00 N ATOM 525 CA ILE A 39 9.930 -33.539 50.487 1.00 0.00 C ATOM 526 C ILE A 39 8.653 -33.098 49.792 1.00 0.00 C ATOM 527 O ILE A 39 8.494 -33.269 48.584 1.00 0.00 O ATOM 528 CB ILE A 39 9.634 -34.854 51.232 1.00 0.00 C ATOM 529 CG1 ILE A 39 10.929 -35.466 51.769 1.00 0.00 C ATOM 530 CG2 ILE A 39 8.976 -35.859 50.298 1.00 0.00 C ATOM 531 CD1 ILE A 39 11.935 -35.809 50.692 1.00 0.00 C ATOM 0 H ILE A 39 10.482 -32.806 52.370 1.00 0.00 H new ATOM 0 HA ILE A 39 10.724 -33.704 49.759 1.00 0.00 H new ATOM 0 HB ILE A 39 8.962 -34.625 52.059 1.00 0.00 H new ATOM 0 HG12 ILE A 39 11.386 -34.768 52.471 1.00 0.00 H new ATOM 0 HG13 ILE A 39 10.688 -36.370 52.329 1.00 0.00 H new ATOM 0 HG21 ILE A 39 8.774 -36.782 50.841 1.00 0.00 H new ATOM 0 HG22 ILE A 39 8.040 -35.447 49.922 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.642 -36.069 49.461 1.00 0.00 H new ATOM 0 HD11 ILE A 39 12.826 -36.238 51.150 1.00 0.00 H new ATOM 0 HD12 ILE A 39 11.498 -36.531 50.002 1.00 0.00 H new ATOM 0 HD13 ILE A 39 12.207 -34.905 50.147 1.00 0.00 H new ATOM 543 N TYR A 40 7.742 -32.525 50.574 1.00 0.00 N ATOM 544 CA TYR A 40 6.462 -32.046 50.059 1.00 0.00 C ATOM 545 C TYR A 40 6.668 -30.840 49.158 1.00 0.00 C ATOM 546 O TYR A 40 6.042 -30.718 48.106 1.00 0.00 O ATOM 547 CB TYR A 40 5.540 -31.638 51.210 1.00 0.00 C ATOM 548 CG TYR A 40 4.180 -31.153 50.763 1.00 0.00 C ATOM 549 CD1 TYR A 40 3.197 -32.053 50.372 1.00 0.00 C ATOM 550 CD2 TYR A 40 3.883 -29.796 50.733 1.00 0.00 C ATOM 551 CE1 TYR A 40 1.951 -31.619 49.962 1.00 0.00 C ATOM 552 CE2 TYR A 40 2.642 -29.344 50.326 1.00 0.00 C ATOM 553 CZ TYR A 40 1.674 -30.269 49.938 1.00 0.00 C ATOM 554 OH TYR A 40 0.433 -29.835 49.531 1.00 0.00 O ATOM 0 H TYR A 40 7.868 -32.380 51.576 1.00 0.00 H new ATOM 0 HA TYR A 40 6.008 -32.858 49.491 1.00 0.00 H new ATOM 0 HB2 TYR A 40 5.410 -32.490 51.878 1.00 0.00 H new ATOM 0 HB3 TYR A 40 6.024 -30.851 51.788 1.00 0.00 H new ATOM 0 HD1 TYR A 40 3.411 -33.112 50.389 1.00 0.00 H new ATOM 0 HD2 TYR A 40 4.635 -29.082 51.033 1.00 0.00 H new ATOM 0 HE1 TYR A 40 1.199 -32.333 49.662 1.00 0.00 H new ATOM 0 HE2 TYR A 40 2.425 -28.286 50.309 1.00 0.00 H new ATOM 0 HH TYR A 40 0.399 -28.856 49.573 1.00 0.00 H new ATOM 564 N SER A 41 7.556 -29.947 49.586 1.00 0.00 N ATOM 565 CA SER A 41 7.868 -28.735 48.835 1.00 0.00 C ATOM 566 C SER A 41 8.406 -29.086 47.457 1.00 0.00 C ATOM 567 O SER A 41 7.945 -28.564 46.443 1.00 0.00 O ATOM 568 CB SER A 41 8.924 -27.906 49.570 1.00 0.00 C ATOM 569 OG SER A 41 8.420 -27.412 50.798 1.00 0.00 O ATOM 0 H SER A 41 8.077 -30.042 50.458 1.00 0.00 H new ATOM 0 HA SER A 41 6.948 -28.159 48.737 1.00 0.00 H new ATOM 0 HB2 SER A 41 9.807 -28.518 49.755 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.239 -27.073 48.941 1.00 0.00 H new ATOM 0 HG SER A 41 8.364 -28.144 51.447 1.00 0.00 H new ATOM 575 N MET A 42 9.390 -29.980 47.435 1.00 0.00 N ATOM 576 CA MET A 42 10.014 -30.422 46.191 1.00 0.00 C ATOM 577 C MET A 42 9.004 -31.149 45.318 1.00 0.00 C ATOM 578 O MET A 42 8.966 -30.966 44.102 1.00 0.00 O ATOM 579 CB MET A 42 11.175 -31.375 46.483 1.00 0.00 C ATOM 580 CG MET A 42 11.938 -31.820 45.246 1.00 0.00 C ATOM 581 SD MET A 42 13.316 -32.915 45.636 1.00 0.00 S ATOM 582 CE MET A 42 12.442 -34.397 46.132 1.00 0.00 C ATOM 0 H MET A 42 9.776 -30.416 48.273 1.00 0.00 H new ATOM 0 HA MET A 42 10.383 -29.537 45.672 1.00 0.00 H new ATOM 0 HB2 MET A 42 11.868 -30.887 47.168 1.00 0.00 H new ATOM 0 HB3 MET A 42 10.788 -32.256 46.995 1.00 0.00 H new ATOM 0 HG2 MET A 42 11.255 -32.330 44.567 1.00 0.00 H new ATOM 0 HG3 MET A 42 12.314 -30.942 44.721 1.00 0.00 H new ATOM 0 HE1 MET A 42 13.137 -35.236 46.164 1.00 0.00 H new ATOM 0 HE2 MET A 42 12.006 -34.249 47.120 1.00 0.00 H new ATOM 0 HE3 MET A 42 11.650 -34.610 45.414 1.00 0.00 H new ATOM 592 N LEU A 43 8.185 -31.979 45.957 1.00 0.00 N ATOM 593 CA LEU A 43 7.159 -32.752 45.263 1.00 0.00 C ATOM 594 C LEU A 43 5.993 -31.858 44.872 1.00 0.00 C ATOM 595 O LEU A 43 5.435 -31.981 43.783 1.00 0.00 O ATOM 596 CB LEU A 43 6.630 -33.871 46.163 1.00 0.00 C ATOM 597 CG LEU A 43 7.591 -35.029 46.440 1.00 0.00 C ATOM 598 CD1 LEU A 43 6.988 -35.999 47.444 1.00 0.00 C ATOM 599 CD2 LEU A 43 7.893 -35.795 45.161 1.00 0.00 C ATOM 0 H LEU A 43 8.213 -32.135 46.965 1.00 0.00 H new ATOM 0 HA LEU A 43 7.613 -33.180 44.369 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.338 -33.433 47.117 1.00 0.00 H new ATOM 0 HB3 LEU A 43 5.726 -34.277 45.709 1.00 0.00 H new ATOM 0 HG LEU A 43 8.509 -34.601 46.842 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.687 -36.815 47.627 1.00 0.00 H new ATOM 0 HD12 LEU A 43 6.787 -35.477 48.379 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.057 -36.402 47.046 1.00 0.00 H new ATOM 0 HD21 LEU A 43 8.578 -36.614 45.380 1.00 0.00 H new ATOM 0 HD22 LEU A 43 6.967 -36.197 44.750 1.00 0.00 H new ATOM 0 HD23 LEU A 43 8.351 -35.124 44.434 1.00 0.00 H new ATOM 611 N ARG A 44 5.632 -30.954 45.778 1.00 0.00 N ATOM 612 CA ARG A 44 4.532 -30.022 45.555 1.00 0.00 C ATOM 613 C ARG A 44 5.000 -28.831 44.734 1.00 0.00 C ATOM 614 O ARG A 44 4.248 -28.272 43.938 1.00 0.00 O ATOM 615 CB ARG A 44 3.989 -29.506 46.889 1.00 0.00 C ATOM 616 CG ARG A 44 2.778 -28.596 46.755 1.00 0.00 C ATOM 617 CD ARG A 44 1.571 -29.357 46.230 1.00 0.00 C ATOM 618 NE ARG A 44 0.393 -28.501 46.112 1.00 0.00 N ATOM 619 CZ ARG A 44 -0.742 -28.869 45.526 1.00 0.00 C ATOM 620 NH1 ARG A 44 -0.855 -30.082 45.003 1.00 0.00 N ATOM 621 NH2 ARG A 44 -1.761 -28.022 45.465 1.00 0.00 N ATOM 0 H ARG A 44 6.091 -30.847 46.683 1.00 0.00 H new ATOM 0 HA ARG A 44 3.748 -30.556 45.018 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.723 -30.358 47.515 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.781 -28.965 47.407 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.541 -28.158 47.724 1.00 0.00 H new ATOM 0 HG3 ARG A 44 3.012 -27.772 46.081 1.00 0.00 H new ATOM 0 HD2 ARG A 44 1.808 -29.784 45.256 1.00 0.00 H new ATOM 0 HD3 ARG A 44 1.349 -30.189 46.898 1.00 0.00 H new ATOM 0 HE ARG A 44 0.445 -27.561 46.504 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -0.071 -30.733 45.050 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.726 -30.364 44.553 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -1.673 -27.089 45.868 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -2.632 -28.304 45.015 1.00 0.00 H new ATOM 635 N LYS A 45 6.258 -28.452 44.940 1.00 0.00 N ATOM 636 CA LYS A 45 6.859 -27.327 44.230 1.00 0.00 C ATOM 637 C LYS A 45 7.148 -27.701 42.786 1.00 0.00 C ATOM 638 O LYS A 45 6.842 -26.950 41.861 1.00 0.00 O ATOM 639 CB LYS A 45 8.174 -26.915 44.895 1.00 0.00 C ATOM 640 CG LYS A 45 8.845 -25.713 44.250 1.00 0.00 C ATOM 641 CD LYS A 45 10.113 -25.324 44.993 1.00 0.00 C ATOM 642 CE LYS A 45 10.792 -24.131 44.340 1.00 0.00 C ATOM 643 NZ LYS A 45 12.030 -23.732 45.064 1.00 0.00 N ATOM 0 H LYS A 45 6.886 -28.912 45.599 1.00 0.00 H new ATOM 0 HA LYS A 45 6.152 -26.498 44.263 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.984 -26.692 45.945 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.862 -27.760 44.869 1.00 0.00 H new ATOM 0 HG2 LYS A 45 9.085 -25.941 43.212 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.154 -24.870 44.239 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.871 -25.086 46.029 1.00 0.00 H new ATOM 0 HD3 LYS A 45 10.800 -26.170 45.013 1.00 0.00 H new ATOM 0 HE2 LYS A 45 11.038 -24.374 43.306 1.00 0.00 H new ATOM 0 HE3 LYS A 45 10.100 -23.289 44.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 12.463 -22.915 44.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 11.792 -23.475 46.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 12.701 -24.526 45.068 1.00 0.00 H new ATOM 657 N ALA A 46 7.744 -28.876 42.605 1.00 0.00 N ATOM 658 CA ALA A 46 8.088 -29.380 41.279 1.00 0.00 C ATOM 659 C ALA A 46 8.753 -30.743 41.402 1.00 0.00 C ATOM 660 O ALA A 46 8.927 -31.254 42.506 1.00 0.00 O ATOM 661 CB ALA A 46 9.014 -28.387 40.583 1.00 0.00 C ATOM 0 H ALA A 46 8.001 -29.502 43.368 1.00 0.00 H new ATOM 0 HA ALA A 46 7.183 -29.492 40.682 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.272 -28.762 39.593 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.510 -27.425 40.487 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.923 -28.263 41.172 1.00 0.00 H new