USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 477 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 Single : A 1 PHE N :NH3+ -150:sc= 0.251 (180deg=-0.0486) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.176 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0217) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.0324 K(o=-0.032,f=1) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 73:sc= 0.611 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 44 LYS NZ :NH3+ -166:sc= -0.0377 (180deg=-0.249) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 86:sc= 0.719 USER MOD Single : A 55 GLN : amide:sc= -0.0149 X(o=-0.015,f=0) USER MOD Single : A 56 THR OG1 : rot -95:sc= 0.191 USER MOD Single : A 57 TYR OH : rot -20:sc= 0.791 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 -5.391 -35.033 7.022 1.00 22.44 N ATOM 2 CA PHE A 1 -4.893 -36.418 6.867 1.00 15.30 C ATOM 3 C PHE A 1 -4.162 -36.615 5.521 1.00 43.05 C ATOM 4 O PHE A 1 -3.266 -37.453 5.433 1.00 64.22 O ATOM 5 CB PHE A 1 -6.052 -37.451 7.018 1.00 13.13 C ATOM 6 CG PHE A 1 -7.078 -37.475 5.862 1.00 11.24 C ATOM 7 CD1 PHE A 1 -8.090 -36.517 5.778 1.00 61.22 C ATOM 8 CD2 PHE A 1 -7.018 -38.448 4.854 1.00 32.12 C ATOM 9 CE1 PHE A 1 -9.006 -36.531 4.741 1.00 33.10 C ATOM 10 CE2 PHE A 1 -7.934 -38.459 3.816 1.00 44.11 C ATOM 11 CZ PHE A 1 -8.928 -37.501 3.758 1.00 64.32 C ATOM 0 H1 PHE A 1 -5.403 -34.779 8.031 1.00 22.44 H new ATOM 0 H2 PHE A 1 -4.766 -34.380 6.508 1.00 22.44 H new ATOM 0 H3 PHE A 1 -6.354 -34.965 6.636 1.00 22.44 H new ATOM 0 HA PHE A 1 -4.171 -36.592 7.665 1.00 15.30 H new ATOM 0 HB2 PHE A 1 -5.618 -38.446 7.116 1.00 13.13 H new ATOM 0 HB3 PHE A 1 -6.583 -37.242 7.947 1.00 13.13 H new ATOM 0 HD1 PHE A 1 -8.159 -35.751 6.536 1.00 61.22 H new ATOM 0 HD2 PHE A 1 -6.245 -39.201 4.888 1.00 32.12 H new ATOM 0 HE1 PHE A 1 -9.784 -35.783 4.699 1.00 33.10 H new ATOM 0 HE2 PHE A 1 -7.872 -39.218 3.050 1.00 44.11 H new ATOM 0 HZ PHE A 1 -9.642 -37.510 2.948 1.00 64.32 H new ATOM 23 N THR A 2 -4.532 -35.830 4.476 1.00 42.10 N ATOM 24 CA THR A 2 -3.974 -35.998 3.107 1.00 63.40 C ATOM 25 C THR A 2 -3.123 -34.791 2.688 1.00 65.43 C ATOM 26 O THR A 2 -3.380 -33.649 3.100 1.00 62.52 O ATOM 27 CB THR A 2 -5.108 -36.256 2.052 1.00 25.42 C ATOM 28 OG1 THR A 2 -4.563 -36.348 0.726 1.00 41.13 O ATOM 29 CG2 THR A 2 -6.196 -35.173 2.083 1.00 14.10 C ATOM 0 H THR A 2 -5.214 -35.075 4.555 1.00 42.10 H new ATOM 0 HA THR A 2 -3.327 -36.874 3.136 1.00 63.40 H new ATOM 0 HB THR A 2 -5.571 -37.205 2.324 1.00 25.42 H new ATOM 0 HG1 THR A 2 -5.287 -36.511 0.085 1.00 41.13 H new ATOM 0 HG21 THR A 2 -6.956 -35.399 1.335 1.00 14.10 H new ATOM 0 HG22 THR A 2 -6.656 -35.148 3.071 1.00 14.10 H new ATOM 0 HG23 THR A 2 -5.750 -34.203 1.866 1.00 14.10 H new ATOM 37 N LEU A 3 -2.108 -35.073 1.848 1.00 62.50 N ATOM 38 CA LEU A 3 -1.219 -34.053 1.251 1.00 45.34 C ATOM 39 C LEU A 3 -1.983 -33.181 0.230 1.00 70.21 C ATOM 40 O LEU A 3 -1.511 -32.109 -0.128 1.00 4.51 O ATOM 41 CB LEU A 3 0.024 -34.710 0.560 1.00 31.13 C ATOM 42 CG LEU A 3 1.072 -35.423 1.490 1.00 51.24 C ATOM 43 CD1 LEU A 3 1.540 -34.493 2.628 1.00 31.52 C ATOM 44 CD2 LEU A 3 0.549 -36.770 2.036 1.00 34.31 C ATOM 0 H LEU A 3 -1.879 -36.025 1.561 1.00 62.50 H new ATOM 0 HA LEU A 3 -0.867 -33.419 2.064 1.00 45.34 H new ATOM 0 HB2 LEU A 3 -0.339 -35.441 -0.162 1.00 31.13 H new ATOM 0 HB3 LEU A 3 0.545 -33.936 -0.004 1.00 31.13 H new ATOM 0 HG LEU A 3 1.940 -35.651 0.872 1.00 51.24 H new ATOM 0 HD11 LEU A 3 2.264 -35.017 3.252 1.00 31.52 H new ATOM 0 HD12 LEU A 3 2.004 -33.603 2.203 1.00 31.52 H new ATOM 0 HD13 LEU A 3 0.683 -34.200 3.234 1.00 31.52 H new ATOM 0 HD21 LEU A 3 1.308 -37.224 2.673 1.00 34.31 H new ATOM 0 HD22 LEU A 3 -0.357 -36.600 2.617 1.00 34.31 H new ATOM 0 HD23 LEU A 3 0.326 -37.438 1.204 1.00 34.31 H new ATOM 56 N ILE A 4 -3.155 -33.672 -0.244 1.00 20.32 N ATOM 57 CA ILE A 4 -4.032 -32.922 -1.176 1.00 20.23 C ATOM 58 C ILE A 4 -4.593 -31.653 -0.492 1.00 14.32 C ATOM 59 O ILE A 4 -4.468 -30.550 -1.024 1.00 23.25 O ATOM 60 CB ILE A 4 -5.219 -33.815 -1.709 1.00 63.10 C ATOM 61 CG1 ILE A 4 -4.671 -35.088 -2.437 1.00 2.04 C ATOM 62 CG2 ILE A 4 -6.164 -33.006 -2.642 1.00 32.24 C ATOM 63 CD1 ILE A 4 -3.789 -34.796 -3.646 1.00 62.53 C ATOM 0 H ILE A 4 -3.516 -34.592 0.007 1.00 20.32 H new ATOM 0 HA ILE A 4 -3.422 -32.629 -2.030 1.00 20.23 H new ATOM 0 HB ILE A 4 -5.804 -34.138 -0.848 1.00 63.10 H new ATOM 0 HG12 ILE A 4 -4.101 -35.682 -1.723 1.00 2.04 H new ATOM 0 HG13 ILE A 4 -5.515 -35.699 -2.758 1.00 2.04 H new ATOM 0 HG21 ILE A 4 -6.970 -33.651 -2.991 1.00 32.24 H new ATOM 0 HG22 ILE A 4 -6.585 -32.164 -2.092 1.00 32.24 H new ATOM 0 HG23 ILE A 4 -5.600 -32.635 -3.498 1.00 32.24 H new ATOM 0 HD11 ILE A 4 -3.455 -35.735 -4.088 1.00 62.53 H new ATOM 0 HD12 ILE A 4 -4.358 -34.230 -4.384 1.00 62.53 H new ATOM 0 HD13 ILE A 4 -2.923 -34.214 -3.332 1.00 62.53 H new ATOM 75 N GLU A 5 -5.178 -31.833 0.710 1.00 73.41 N ATOM 76 CA GLU A 5 -5.721 -30.717 1.518 1.00 75.42 C ATOM 77 C GLU A 5 -4.617 -29.726 1.935 1.00 61.31 C ATOM 78 O GLU A 5 -4.821 -28.514 1.868 1.00 44.24 O ATOM 79 CB GLU A 5 -6.509 -31.244 2.750 1.00 51.24 C ATOM 80 CG GLU A 5 -7.809 -32.005 2.397 1.00 13.24 C ATOM 81 CD GLU A 5 -8.858 -31.137 1.678 1.00 50.43 C ATOM 82 OE1 GLU A 5 -9.662 -30.465 2.362 1.00 11.21 O ATOM 83 OE2 GLU A 5 -8.893 -31.125 0.427 1.00 70.34 O ATOM 0 H GLU A 5 -5.288 -32.748 1.147 1.00 73.41 H new ATOM 0 HA GLU A 5 -6.422 -30.170 0.888 1.00 75.42 H new ATOM 0 HB2 GLU A 5 -5.861 -31.904 3.326 1.00 51.24 H new ATOM 0 HB3 GLU A 5 -6.759 -30.401 3.394 1.00 51.24 H new ATOM 0 HG2 GLU A 5 -7.560 -32.857 1.765 1.00 13.24 H new ATOM 0 HG3 GLU A 5 -8.246 -32.404 3.312 1.00 13.24 H new ATOM 90 N LEU A 6 -3.437 -30.254 2.326 1.00 51.32 N ATOM 91 CA LEU A 6 -2.239 -29.425 2.636 1.00 14.12 C ATOM 92 C LEU A 6 -1.751 -28.636 1.407 1.00 3.41 C ATOM 93 O LEU A 6 -1.299 -27.499 1.541 1.00 71.34 O ATOM 94 CB LEU A 6 -1.084 -30.311 3.165 1.00 73.41 C ATOM 95 CG LEU A 6 -1.376 -31.106 4.473 1.00 11.23 C ATOM 96 CD1 LEU A 6 -0.166 -31.976 4.881 1.00 35.34 C ATOM 97 CD2 LEU A 6 -1.807 -30.165 5.631 1.00 3.54 C ATOM 0 H LEU A 6 -3.283 -31.256 2.437 1.00 51.32 H new ATOM 0 HA LEU A 6 -2.538 -28.712 3.405 1.00 14.12 H new ATOM 0 HB2 LEU A 6 -0.811 -31.022 2.385 1.00 73.41 H new ATOM 0 HB3 LEU A 6 -0.215 -29.676 3.336 1.00 73.41 H new ATOM 0 HG LEU A 6 -2.213 -31.774 4.267 1.00 11.23 H new ATOM 0 HD11 LEU A 6 -0.400 -32.518 5.797 1.00 35.34 H new ATOM 0 HD12 LEU A 6 0.056 -32.687 4.085 1.00 35.34 H new ATOM 0 HD13 LEU A 6 0.701 -31.337 5.049 1.00 35.34 H new ATOM 0 HD21 LEU A 6 -2.002 -30.755 6.526 1.00 3.54 H new ATOM 0 HD22 LEU A 6 -1.010 -29.450 5.834 1.00 3.54 H new ATOM 0 HD23 LEU A 6 -2.712 -29.628 5.346 1.00 3.54 H new ATOM 109 N LEU A 7 -1.837 -29.266 0.223 1.00 44.35 N ATOM 110 CA LEU A 7 -1.447 -28.655 -1.063 1.00 13.53 C ATOM 111 C LEU A 7 -2.349 -27.451 -1.422 1.00 43.12 C ATOM 112 O LEU A 7 -1.865 -26.433 -1.918 1.00 51.40 O ATOM 113 CB LEU A 7 -1.522 -29.709 -2.194 1.00 32.25 C ATOM 114 CG LEU A 7 -0.951 -29.274 -3.581 1.00 41.22 C ATOM 115 CD1 LEU A 7 0.567 -28.990 -3.493 1.00 41.02 C ATOM 116 CD2 LEU A 7 -1.276 -30.326 -4.669 1.00 10.32 C ATOM 0 H LEU A 7 -2.182 -30.221 0.129 1.00 44.35 H new ATOM 0 HA LEU A 7 -0.424 -28.294 -0.958 1.00 13.53 H new ATOM 0 HB2 LEU A 7 -0.987 -30.601 -1.867 1.00 32.25 H new ATOM 0 HB3 LEU A 7 -2.565 -29.995 -2.327 1.00 32.25 H new ATOM 0 HG LEU A 7 -1.438 -28.343 -3.872 1.00 41.22 H new ATOM 0 HD11 LEU A 7 0.938 -28.689 -4.473 1.00 41.02 H new ATOM 0 HD12 LEU A 7 0.746 -28.189 -2.775 1.00 41.02 H new ATOM 0 HD13 LEU A 7 1.088 -29.891 -3.169 1.00 41.02 H new ATOM 0 HD21 LEU A 7 -0.867 -29.999 -5.625 1.00 10.32 H new ATOM 0 HD22 LEU A 7 -0.833 -31.283 -4.393 1.00 10.32 H new ATOM 0 HD23 LEU A 7 -2.357 -30.438 -4.756 1.00 10.32 H new ATOM 128 N ILE A 8 -3.661 -27.596 -1.175 1.00 65.54 N ATOM 129 CA ILE A 8 -4.652 -26.549 -1.419 1.00 45.43 C ATOM 130 C ILE A 8 -4.482 -25.376 -0.428 1.00 11.50 C ATOM 131 O ILE A 8 -4.527 -24.223 -0.843 1.00 53.11 O ATOM 132 CB ILE A 8 -6.091 -27.176 -1.332 1.00 74.21 C ATOM 133 CG1 ILE A 8 -6.280 -28.267 -2.443 1.00 45.22 C ATOM 134 CG2 ILE A 8 -7.191 -26.096 -1.414 1.00 23.11 C ATOM 135 CD1 ILE A 8 -7.511 -29.142 -2.276 1.00 44.24 C ATOM 0 H ILE A 8 -4.062 -28.454 -0.797 1.00 65.54 H new ATOM 0 HA ILE A 8 -4.505 -26.138 -2.418 1.00 45.43 H new ATOM 0 HB ILE A 8 -6.189 -27.656 -0.358 1.00 74.21 H new ATOM 0 HG12 ILE A 8 -6.332 -27.772 -3.413 1.00 45.22 H new ATOM 0 HG13 ILE A 8 -5.397 -28.906 -2.459 1.00 45.22 H new ATOM 0 HG21 ILE A 8 -8.171 -26.569 -1.350 1.00 23.11 H new ATOM 0 HG22 ILE A 8 -7.073 -25.393 -0.589 1.00 23.11 H new ATOM 0 HG23 ILE A 8 -7.107 -25.562 -2.360 1.00 23.11 H new ATOM 0 HD11 ILE A 8 -7.557 -29.865 -3.090 1.00 44.24 H new ATOM 0 HD12 ILE A 8 -7.455 -29.670 -1.324 1.00 44.24 H new ATOM 0 HD13 ILE A 8 -8.405 -28.519 -2.293 1.00 44.24 H new ATOM 147 N VAL A 9 -4.269 -25.686 0.872 1.00 42.15 N ATOM 148 CA VAL A 9 -4.006 -24.669 1.907 1.00 23.25 C ATOM 149 C VAL A 9 -2.700 -23.878 1.609 1.00 32.32 C ATOM 150 O VAL A 9 -2.699 -22.648 1.653 1.00 13.12 O ATOM 151 CB VAL A 9 -3.947 -25.329 3.341 1.00 63.33 C ATOM 152 CG1 VAL A 9 -3.546 -24.313 4.424 1.00 5.44 C ATOM 153 CG2 VAL A 9 -5.297 -25.997 3.704 1.00 42.43 C ATOM 0 H VAL A 9 -4.275 -26.642 1.227 1.00 42.15 H new ATOM 0 HA VAL A 9 -4.833 -23.960 1.890 1.00 23.25 H new ATOM 0 HB VAL A 9 -3.176 -26.099 3.305 1.00 63.33 H new ATOM 0 HG11 VAL A 9 -3.517 -24.808 5.395 1.00 5.44 H new ATOM 0 HG12 VAL A 9 -2.561 -23.907 4.195 1.00 5.44 H new ATOM 0 HG13 VAL A 9 -4.275 -23.503 4.451 1.00 5.44 H new ATOM 0 HG21 VAL A 9 -5.227 -26.443 4.696 1.00 42.43 H new ATOM 0 HG22 VAL A 9 -6.087 -25.246 3.698 1.00 42.43 H new ATOM 0 HG23 VAL A 9 -5.528 -26.772 2.973 1.00 42.43 H new ATOM 163 N VAL A 10 -1.604 -24.592 1.277 1.00 42.34 N ATOM 164 CA VAL A 10 -0.310 -23.960 0.965 1.00 30.24 C ATOM 165 C VAL A 10 -0.371 -23.157 -0.366 1.00 32.22 C ATOM 166 O VAL A 10 0.337 -22.151 -0.519 1.00 34.41 O ATOM 167 CB VAL A 10 0.862 -25.032 0.938 1.00 51.45 C ATOM 168 CG1 VAL A 10 0.959 -25.811 -0.396 1.00 74.11 C ATOM 169 CG2 VAL A 10 2.209 -24.396 1.323 1.00 4.41 C ATOM 0 H VAL A 10 -1.592 -25.610 1.219 1.00 42.34 H new ATOM 0 HA VAL A 10 -0.093 -23.250 1.763 1.00 30.24 H new ATOM 0 HB VAL A 10 0.607 -25.775 1.694 1.00 51.45 H new ATOM 0 HG11 VAL A 10 1.781 -26.525 -0.342 1.00 74.11 H new ATOM 0 HG12 VAL A 10 0.026 -26.345 -0.574 1.00 74.11 H new ATOM 0 HG13 VAL A 10 1.139 -25.112 -1.213 1.00 74.11 H new ATOM 0 HG21 VAL A 10 2.991 -25.155 1.295 1.00 4.41 H new ATOM 0 HG22 VAL A 10 2.450 -23.600 0.618 1.00 4.41 H new ATOM 0 HG23 VAL A 10 2.141 -23.981 2.329 1.00 4.41 H new ATOM 179 N ALA A 11 -1.245 -23.594 -1.319 1.00 70.10 N ATOM 180 CA ALA A 11 -1.440 -22.892 -2.607 1.00 1.14 C ATOM 181 C ALA A 11 -2.173 -21.559 -2.406 1.00 33.22 C ATOM 182 O ALA A 11 -1.669 -20.523 -2.822 1.00 64.10 O ATOM 183 CB ALA A 11 -2.203 -23.767 -3.621 1.00 54.22 C ATOM 0 H ALA A 11 -1.821 -24.429 -1.212 1.00 70.10 H new ATOM 0 HA ALA A 11 -0.449 -22.688 -3.012 1.00 1.14 H new ATOM 0 HB1 ALA A 11 -2.327 -23.218 -4.554 1.00 54.22 H new ATOM 0 HB2 ALA A 11 -1.639 -24.681 -3.810 1.00 54.22 H new ATOM 0 HB3 ALA A 11 -3.183 -24.022 -3.217 1.00 54.22 H new ATOM 189 N ILE A 12 -3.352 -21.601 -1.737 1.00 65.32 N ATOM 190 CA ILE A 12 -4.209 -20.411 -1.530 1.00 31.02 C ATOM 191 C ILE A 12 -3.506 -19.341 -0.662 1.00 30.34 C ATOM 192 O ILE A 12 -3.554 -18.167 -0.998 1.00 11.24 O ATOM 193 CB ILE A 12 -5.620 -20.793 -0.930 1.00 54.25 C ATOM 194 CG1 ILE A 12 -5.497 -21.469 0.474 1.00 51.02 C ATOM 195 CG2 ILE A 12 -6.412 -21.684 -1.926 1.00 40.35 C ATOM 196 CD1 ILE A 12 -6.804 -21.931 1.088 1.00 14.44 C ATOM 0 H ILE A 12 -3.732 -22.455 -1.329 1.00 65.32 H new ATOM 0 HA ILE A 12 -4.381 -19.976 -2.515 1.00 31.02 H new ATOM 0 HB ILE A 12 -6.178 -19.869 -0.782 1.00 54.25 H new ATOM 0 HG12 ILE A 12 -4.831 -22.328 0.388 1.00 51.02 H new ATOM 0 HG13 ILE A 12 -5.022 -20.765 1.158 1.00 51.02 H new ATOM 0 HG21 ILE A 12 -7.381 -21.937 -1.496 1.00 40.35 H new ATOM 0 HG22 ILE A 12 -6.560 -21.142 -2.860 1.00 40.35 H new ATOM 0 HG23 ILE A 12 -5.852 -22.598 -2.121 1.00 40.35 H new ATOM 0 HD11 ILE A 12 -6.609 -22.385 2.059 1.00 14.44 H new ATOM 0 HD12 ILE A 12 -7.469 -21.077 1.214 1.00 14.44 H new ATOM 0 HD13 ILE A 12 -7.275 -22.664 0.433 1.00 14.44 H new ATOM 208 N ILE A 13 -2.811 -19.771 0.421 1.00 62.13 N ATOM 209 CA ILE A 13 -1.981 -18.887 1.267 1.00 51.44 C ATOM 210 C ILE A 13 -0.768 -18.353 0.459 1.00 42.21 C ATOM 211 O ILE A 13 -0.326 -17.214 0.665 1.00 33.51 O ATOM 212 CB ILE A 13 -1.521 -19.653 2.572 1.00 70.41 C ATOM 213 CG1 ILE A 13 -2.753 -19.957 3.490 1.00 13.20 C ATOM 214 CG2 ILE A 13 -0.424 -18.892 3.350 1.00 15.12 C ATOM 215 CD1 ILE A 13 -2.438 -20.718 4.774 1.00 74.14 C ATOM 0 H ILE A 13 -2.813 -20.743 0.730 1.00 62.13 H new ATOM 0 HA ILE A 13 -2.575 -18.028 1.578 1.00 51.44 H new ATOM 0 HB ILE A 13 -1.078 -20.596 2.253 1.00 70.41 H new ATOM 0 HG12 ILE A 13 -3.230 -19.013 3.754 1.00 13.20 H new ATOM 0 HG13 ILE A 13 -3.480 -20.531 2.916 1.00 13.20 H new ATOM 0 HG21 ILE A 13 -0.145 -19.462 4.236 1.00 15.12 H new ATOM 0 HG22 ILE A 13 0.450 -18.762 2.712 1.00 15.12 H new ATOM 0 HG23 ILE A 13 -0.803 -17.915 3.651 1.00 15.12 H new ATOM 0 HD11 ILE A 13 -3.357 -20.878 5.337 1.00 74.14 H new ATOM 0 HD12 ILE A 13 -1.993 -21.681 4.526 1.00 74.14 H new ATOM 0 HD13 ILE A 13 -1.739 -20.140 5.378 1.00 74.14 H new ATOM 227 N GLY A 14 -0.265 -19.188 -0.477 1.00 14.54 N ATOM 228 CA GLY A 14 0.768 -18.776 -1.435 1.00 1.34 C ATOM 229 C GLY A 14 0.300 -17.667 -2.389 1.00 11.44 C ATOM 230 O GLY A 14 1.102 -16.814 -2.785 1.00 22.34 O ATOM 0 H GLY A 14 -0.565 -20.157 -0.584 1.00 14.54 H new ATOM 0 HA2 GLY A 14 1.645 -18.430 -0.888 1.00 1.34 H new ATOM 0 HA3 GLY A 14 1.079 -19.642 -2.019 1.00 1.34 H new ATOM 234 N ILE A 15 -1.015 -17.673 -2.743 1.00 45.40 N ATOM 235 CA ILE A 15 -1.629 -16.606 -3.570 1.00 3.34 C ATOM 236 C ILE A 15 -1.767 -15.326 -2.725 1.00 11.54 C ATOM 237 O ILE A 15 -1.416 -14.242 -3.184 1.00 3.54 O ATOM 238 CB ILE A 15 -3.057 -16.999 -4.140 1.00 73.34 C ATOM 239 CG1 ILE A 15 -3.072 -18.444 -4.752 1.00 73.21 C ATOM 240 CG2 ILE A 15 -3.559 -15.949 -5.172 1.00 72.03 C ATOM 241 CD1 ILE A 15 -2.008 -18.741 -5.796 1.00 24.34 C ATOM 0 H ILE A 15 -1.667 -18.407 -2.466 1.00 45.40 H new ATOM 0 HA ILE A 15 -0.971 -16.451 -4.425 1.00 3.34 H new ATOM 0 HB ILE A 15 -3.747 -17.001 -3.296 1.00 73.34 H new ATOM 0 HG12 ILE A 15 -2.964 -19.162 -3.939 1.00 73.21 H new ATOM 0 HG13 ILE A 15 -4.050 -18.616 -5.201 1.00 73.21 H new ATOM 0 HG21 ILE A 15 -4.539 -16.245 -5.545 1.00 72.03 H new ATOM 0 HG22 ILE A 15 -3.633 -14.973 -4.692 1.00 72.03 H new ATOM 0 HG23 ILE A 15 -2.857 -15.892 -6.004 1.00 72.03 H new ATOM 0 HD11 ILE A 15 -2.118 -19.768 -6.146 1.00 24.34 H new ATOM 0 HD12 ILE A 15 -2.123 -18.057 -6.637 1.00 24.34 H new ATOM 0 HD13 ILE A 15 -1.020 -18.612 -5.355 1.00 24.34 H new ATOM 253 N LEU A 16 -2.252 -15.494 -1.467 1.00 24.13 N ATOM 254 CA LEU A 16 -2.468 -14.378 -0.513 1.00 21.04 C ATOM 255 C LEU A 16 -1.150 -13.628 -0.221 1.00 61.43 C ATOM 256 O LEU A 16 -1.153 -12.413 -0.058 1.00 32.14 O ATOM 257 CB LEU A 16 -3.095 -14.879 0.826 1.00 25.24 C ATOM 258 CG LEU A 16 -4.391 -15.752 0.724 1.00 1.14 C ATOM 259 CD1 LEU A 16 -5.032 -16.011 2.108 1.00 3.41 C ATOM 260 CD2 LEU A 16 -5.405 -15.171 -0.284 1.00 22.35 C ATOM 0 H LEU A 16 -2.504 -16.407 -1.087 1.00 24.13 H new ATOM 0 HA LEU A 16 -3.168 -13.690 -0.986 1.00 21.04 H new ATOM 0 HB2 LEU A 16 -2.339 -15.456 1.358 1.00 25.24 H new ATOM 0 HB3 LEU A 16 -3.322 -14.008 1.440 1.00 25.24 H new ATOM 0 HG LEU A 16 -4.082 -16.723 0.336 1.00 1.14 H new ATOM 0 HD11 LEU A 16 -5.927 -16.620 1.986 1.00 3.41 H new ATOM 0 HD12 LEU A 16 -4.321 -16.535 2.746 1.00 3.41 H new ATOM 0 HD13 LEU A 16 -5.300 -15.060 2.568 1.00 3.41 H new ATOM 0 HD21 LEU A 16 -6.288 -15.810 -0.321 1.00 22.35 H new ATOM 0 HD22 LEU A 16 -5.696 -14.168 0.029 1.00 22.35 H new ATOM 0 HD23 LEU A 16 -4.949 -15.124 -1.273 1.00 22.35 H new ATOM 272 N ALA A 17 -0.038 -14.379 -0.166 1.00 53.22 N ATOM 273 CA ALA A 17 1.316 -13.810 -0.015 1.00 20.14 C ATOM 274 C ALA A 17 1.752 -13.080 -1.306 1.00 44.31 C ATOM 275 O ALA A 17 2.127 -11.905 -1.271 1.00 60.24 O ATOM 276 CB ALA A 17 2.311 -14.924 0.344 1.00 41.43 C ATOM 0 H ALA A 17 -0.050 -15.397 -0.225 1.00 53.22 H new ATOM 0 HA ALA A 17 1.301 -13.078 0.792 1.00 20.14 H new ATOM 0 HB1 ALA A 17 3.309 -14.499 0.454 1.00 41.43 H new ATOM 0 HB2 ALA A 17 2.010 -15.392 1.281 1.00 41.43 H new ATOM 0 HB3 ALA A 17 2.321 -15.672 -0.449 1.00 41.43 H new ATOM 282 N ALA A 18 1.641 -13.792 -2.443 1.00 0.03 N ATOM 283 CA ALA A 18 2.072 -13.301 -3.772 1.00 21.23 C ATOM 284 C ALA A 18 1.313 -12.038 -4.242 1.00 25.03 C ATOM 285 O ALA A 18 1.818 -11.308 -5.097 1.00 60.32 O ATOM 286 CB ALA A 18 1.938 -14.423 -4.821 1.00 53.12 C ATOM 0 H ALA A 18 1.247 -14.732 -2.469 1.00 0.03 H new ATOM 0 HA ALA A 18 3.117 -13.009 -3.668 1.00 21.23 H new ATOM 0 HB1 ALA A 18 2.258 -14.051 -5.794 1.00 53.12 H new ATOM 0 HB2 ALA A 18 2.563 -15.268 -4.532 1.00 53.12 H new ATOM 0 HB3 ALA A 18 0.898 -14.745 -4.879 1.00 53.12 H new ATOM 292 N ILE A 19 0.098 -11.796 -3.706 1.00 61.22 N ATOM 293 CA ILE A 19 -0.661 -10.550 -3.982 1.00 35.50 C ATOM 294 C ILE A 19 -0.378 -9.463 -2.931 1.00 22.42 C ATOM 295 O ILE A 19 -0.238 -8.296 -3.279 1.00 61.24 O ATOM 296 CB ILE A 19 -2.213 -10.804 -4.158 1.00 72.34 C ATOM 297 CG1 ILE A 19 -2.895 -11.460 -2.904 1.00 5.42 C ATOM 298 CG2 ILE A 19 -2.471 -11.638 -5.436 1.00 63.40 C ATOM 299 CD1 ILE A 19 -3.394 -10.478 -1.860 1.00 74.01 C ATOM 0 H ILE A 19 -0.381 -12.444 -3.080 1.00 61.22 H new ATOM 0 HA ILE A 19 -0.300 -10.179 -4.941 1.00 35.50 H new ATOM 0 HB ILE A 19 -2.680 -9.825 -4.261 1.00 72.34 H new ATOM 0 HG12 ILE A 19 -3.735 -12.067 -3.242 1.00 5.42 H new ATOM 0 HG13 ILE A 19 -2.182 -12.137 -2.433 1.00 5.42 H new ATOM 0 HG21 ILE A 19 -3.542 -11.808 -5.549 1.00 63.40 H new ATOM 0 HG22 ILE A 19 -2.095 -11.098 -6.305 1.00 63.40 H new ATOM 0 HG23 ILE A 19 -1.958 -12.596 -5.355 1.00 63.40 H new ATOM 0 HD11 ILE A 19 -3.848 -11.025 -1.034 1.00 74.01 H new ATOM 0 HD12 ILE A 19 -2.557 -9.887 -1.487 1.00 74.01 H new ATOM 0 HD13 ILE A 19 -4.135 -9.816 -2.308 1.00 74.01 H new ATOM 311 N ALA A 20 -0.254 -9.864 -1.656 1.00 55.20 N ATOM 312 CA ALA A 20 -0.118 -8.919 -0.518 1.00 45.25 C ATOM 313 C ALA A 20 1.211 -8.157 -0.537 1.00 3.14 C ATOM 314 O ALA A 20 1.230 -6.964 -0.286 1.00 65.23 O ATOM 315 CB ALA A 20 -0.281 -9.644 0.825 1.00 11.22 C ATOM 0 H ALA A 20 -0.244 -10.845 -1.378 1.00 55.20 H new ATOM 0 HA ALA A 20 -0.919 -8.188 -0.633 1.00 45.25 H new ATOM 0 HB1 ALA A 20 -0.177 -8.928 1.640 1.00 11.22 H new ATOM 0 HB2 ALA A 20 -1.267 -10.106 0.872 1.00 11.22 H new ATOM 0 HB3 ALA A 20 0.485 -10.414 0.918 1.00 11.22 H new ATOM 321 N ILE A 21 2.304 -8.873 -0.820 1.00 53.14 N ATOM 322 CA ILE A 21 3.676 -8.313 -0.820 1.00 21.44 C ATOM 323 C ILE A 21 3.871 -7.162 -1.859 1.00 64.45 C ATOM 324 O ILE A 21 4.331 -6.096 -1.461 1.00 40.33 O ATOM 325 CB ILE A 21 4.738 -9.467 -0.992 1.00 63.55 C ATOM 326 CG1 ILE A 21 4.735 -10.381 0.279 1.00 51.32 C ATOM 327 CG2 ILE A 21 6.153 -8.914 -1.313 1.00 1.34 C ATOM 328 CD1 ILE A 21 5.169 -11.817 0.027 1.00 51.34 C ATOM 0 H ILE A 21 2.270 -9.864 -1.058 1.00 53.14 H new ATOM 0 HA ILE A 21 3.837 -7.845 0.151 1.00 21.44 H new ATOM 0 HB ILE A 21 4.454 -10.074 -1.852 1.00 63.55 H new ATOM 0 HG12 ILE A 21 5.394 -9.942 1.028 1.00 51.32 H new ATOM 0 HG13 ILE A 21 3.731 -10.388 0.703 1.00 51.32 H new ATOM 0 HG21 ILE A 21 6.851 -9.744 -1.423 1.00 1.34 H new ATOM 0 HG22 ILE A 21 6.119 -8.343 -2.241 1.00 1.34 H new ATOM 0 HG23 ILE A 21 6.484 -8.267 -0.501 1.00 1.34 H new ATOM 0 HD11 ILE A 21 5.137 -12.376 0.962 1.00 51.34 H new ATOM 0 HD12 ILE A 21 4.496 -12.279 -0.696 1.00 51.34 H new ATOM 0 HD13 ILE A 21 6.186 -11.826 -0.366 1.00 51.34 H new ATOM 340 N PRO A 22 3.540 -7.326 -3.186 1.00 50.53 N ATOM 341 CA PRO A 22 3.595 -6.194 -4.150 1.00 12.14 C ATOM 342 C PRO A 22 2.536 -5.109 -3.865 1.00 70.14 C ATOM 343 O PRO A 22 2.792 -3.928 -4.055 1.00 73.45 O ATOM 344 CB PRO A 22 3.323 -6.860 -5.512 1.00 13.41 C ATOM 345 CG PRO A 22 2.557 -8.100 -5.172 1.00 14.43 C ATOM 346 CD PRO A 22 3.131 -8.583 -3.863 1.00 74.41 C ATOM 0 HA PRO A 22 4.551 -5.674 -4.095 1.00 12.14 H new ATOM 0 HB2 PRO A 22 2.749 -6.205 -6.167 1.00 13.41 H new ATOM 0 HB3 PRO A 22 4.252 -7.096 -6.032 1.00 13.41 H new ATOM 0 HG2 PRO A 22 1.491 -7.890 -5.079 1.00 14.43 H new ATOM 0 HG3 PRO A 22 2.667 -8.855 -5.951 1.00 14.43 H new ATOM 0 HD2 PRO A 22 2.393 -9.133 -3.279 1.00 74.41 H new ATOM 0 HD3 PRO A 22 3.978 -9.251 -4.017 1.00 74.41 H new ATOM 354 N GLN A 23 1.343 -5.537 -3.409 1.00 62.10 N ATOM 355 CA GLN A 23 0.205 -4.622 -3.150 1.00 43.14 C ATOM 356 C GLN A 23 0.481 -3.725 -1.926 1.00 62.32 C ATOM 357 O GLN A 23 0.041 -2.571 -1.867 1.00 0.24 O ATOM 358 CB GLN A 23 -1.109 -5.433 -2.941 1.00 34.53 C ATOM 359 CG GLN A 23 -2.354 -4.588 -2.602 1.00 63.52 C ATOM 360 CD GLN A 23 -3.638 -5.411 -2.477 1.00 30.33 C ATOM 361 OE1 GLN A 23 -4.375 -5.592 -3.441 1.00 20.20 O ATOM 362 NE2 GLN A 23 -3.898 -5.939 -1.297 1.00 1.33 N ATOM 0 H GLN A 23 1.138 -6.516 -3.210 1.00 62.10 H new ATOM 0 HA GLN A 23 0.086 -3.979 -4.022 1.00 43.14 H new ATOM 0 HB2 GLN A 23 -1.313 -6.004 -3.847 1.00 34.53 H new ATOM 0 HB3 GLN A 23 -0.949 -6.154 -2.139 1.00 34.53 H new ATOM 0 HG2 GLN A 23 -2.179 -4.058 -1.665 1.00 63.52 H new ATOM 0 HG3 GLN A 23 -2.491 -3.832 -3.375 1.00 63.52 H new ATOM 0 HE21 GLN A 23 -3.267 -5.772 -0.513 1.00 1.33 H new ATOM 0 HE22 GLN A 23 -4.730 -6.515 -1.168 1.00 1.33 H new ATOM 371 N PHE A 24 1.248 -4.265 -0.968 1.00 41.32 N ATOM 372 CA PHE A 24 1.551 -3.562 0.311 1.00 24.33 C ATOM 373 C PHE A 24 2.898 -2.817 0.220 1.00 15.11 C ATOM 374 O PHE A 24 3.090 -1.791 0.878 1.00 52.14 O ATOM 375 CB PHE A 24 1.537 -4.519 1.525 1.00 74.41 C ATOM 376 CG PHE A 24 1.327 -3.804 2.869 1.00 12.45 C ATOM 377 CD1 PHE A 24 0.057 -3.350 3.233 1.00 60.42 C ATOM 378 CD2 PHE A 24 2.387 -3.557 3.741 1.00 42.01 C ATOM 379 CE1 PHE A 24 -0.149 -2.691 4.431 1.00 1.22 C ATOM 380 CE2 PHE A 24 2.179 -2.896 4.937 1.00 64.04 C ATOM 381 CZ PHE A 24 0.915 -2.460 5.280 1.00 40.54 C ATOM 0 H PHE A 24 1.676 -5.188 -1.044 1.00 41.32 H new ATOM 0 HA PHE A 24 0.757 -2.832 0.469 1.00 24.33 H new ATOM 0 HB2 PHE A 24 0.746 -5.256 1.387 1.00 74.41 H new ATOM 0 HB3 PHE A 24 2.479 -5.066 1.557 1.00 74.41 H new ATOM 0 HD1 PHE A 24 -0.777 -3.516 2.568 1.00 60.42 H new ATOM 0 HD2 PHE A 24 3.382 -3.886 3.479 1.00 42.01 H new ATOM 0 HE1 PHE A 24 -1.140 -2.358 4.702 1.00 1.22 H new ATOM 0 HE2 PHE A 24 3.009 -2.720 5.606 1.00 64.04 H new ATOM 0 HZ PHE A 24 0.758 -1.938 6.212 1.00 40.54 H new ATOM 391 N SER A 25 3.831 -3.356 -0.582 1.00 44.14 N ATOM 392 CA SER A 25 5.037 -2.604 -1.015 1.00 1.14 C ATOM 393 C SER A 25 4.616 -1.306 -1.730 1.00 2.15 C ATOM 394 O SER A 25 4.960 -0.207 -1.292 1.00 50.42 O ATOM 395 CB SER A 25 5.921 -3.464 -1.954 1.00 70.22 C ATOM 396 OG SER A 25 7.096 -2.777 -2.360 1.00 20.34 O ATOM 0 H SER A 25 3.780 -4.307 -0.947 1.00 44.14 H new ATOM 0 HA SER A 25 5.622 -2.356 -0.130 1.00 1.14 H new ATOM 0 HB2 SER A 25 6.199 -4.387 -1.445 1.00 70.22 H new ATOM 0 HB3 SER A 25 5.345 -3.747 -2.835 1.00 70.22 H new ATOM 0 HG SER A 25 7.626 -3.354 -2.949 1.00 20.34 H new ATOM 402 N ALA A 26 3.805 -1.463 -2.798 1.00 1.51 N ATOM 403 CA ALA A 26 3.254 -0.336 -3.595 1.00 65.32 C ATOM 404 C ALA A 26 2.243 0.524 -2.800 1.00 51.24 C ATOM 405 O ALA A 26 1.947 1.649 -3.199 1.00 33.44 O ATOM 406 CB ALA A 26 2.616 -0.857 -4.886 1.00 25.00 C ATOM 0 H ALA A 26 3.510 -2.379 -3.137 1.00 1.51 H new ATOM 0 HA ALA A 26 4.093 0.315 -3.843 1.00 65.32 H new ATOM 0 HB1 ALA A 26 2.217 -0.020 -5.458 1.00 25.00 H new ATOM 0 HB2 ALA A 26 3.368 -1.377 -5.479 1.00 25.00 H new ATOM 0 HB3 ALA A 26 1.808 -1.546 -4.640 1.00 25.00 H new ATOM 412 N TYR A 27 1.714 -0.017 -1.683 1.00 21.45 N ATOM 413 CA TYR A 27 0.879 0.749 -0.723 1.00 72.35 C ATOM 414 C TYR A 27 1.726 1.822 -0.018 1.00 61.12 C ATOM 415 O TYR A 27 1.310 2.970 0.099 1.00 14.31 O ATOM 416 CB TYR A 27 0.275 -0.202 0.327 1.00 73.22 C ATOM 417 CG TYR A 27 -0.559 0.469 1.440 1.00 62.23 C ATOM 418 CD1 TYR A 27 -1.869 0.908 1.211 1.00 72.34 C ATOM 419 CD2 TYR A 27 -0.034 0.659 2.728 1.00 61.32 C ATOM 420 CE1 TYR A 27 -2.615 1.503 2.214 1.00 21.05 C ATOM 421 CE2 TYR A 27 -0.777 1.255 3.726 1.00 41.41 C ATOM 422 CZ TYR A 27 -2.064 1.674 3.467 1.00 54.11 C ATOM 423 OH TYR A 27 -2.809 2.262 4.469 1.00 21.24 O ATOM 0 H TYR A 27 1.850 -0.993 -1.418 1.00 21.45 H new ATOM 0 HA TYR A 27 0.074 1.235 -1.274 1.00 72.35 H new ATOM 0 HB2 TYR A 27 -0.356 -0.927 -0.187 1.00 73.22 H new ATOM 0 HB3 TYR A 27 1.087 -0.760 0.794 1.00 73.22 H new ATOM 0 HD1 TYR A 27 -2.306 0.780 0.232 1.00 72.34 H new ATOM 0 HD2 TYR A 27 0.973 0.332 2.942 1.00 61.32 H new ATOM 0 HE1 TYR A 27 -3.624 1.832 2.016 1.00 21.05 H new ATOM 0 HE2 TYR A 27 -0.351 1.393 4.709 1.00 41.41 H new ATOM 0 HH TYR A 27 -2.275 2.307 5.290 1.00 21.24 H new ATOM 433 N ARG A 28 2.920 1.408 0.455 1.00 71.34 N ATOM 434 CA ARG A 28 3.893 2.310 1.107 1.00 0.13 C ATOM 435 C ARG A 28 4.525 3.265 0.073 1.00 70.32 C ATOM 436 O ARG A 28 4.898 4.394 0.405 1.00 21.50 O ATOM 437 CB ARG A 28 5.009 1.494 1.811 1.00 32.11 C ATOM 438 CG ARG A 28 4.532 0.411 2.801 1.00 12.30 C ATOM 439 CD ARG A 28 5.715 -0.330 3.464 1.00 43.00 C ATOM 440 NE ARG A 28 5.303 -1.548 4.186 1.00 64.42 N ATOM 441 CZ ARG A 28 5.626 -1.861 5.427 1.00 64.41 C ATOM 442 NH1 ARG A 28 6.243 -1.024 6.192 1.00 4.13 N ATOM 443 NH2 ARG A 28 5.329 -3.024 5.899 1.00 20.12 N ATOM 0 H ARG A 28 3.237 0.440 0.396 1.00 71.34 H new ATOM 0 HA ARG A 28 3.358 2.897 1.854 1.00 0.13 H new ATOM 0 HB2 ARG A 28 5.619 1.015 1.045 1.00 32.11 H new ATOM 0 HB3 ARG A 28 5.656 2.188 2.347 1.00 32.11 H new ATOM 0 HG2 ARG A 28 3.915 0.872 3.572 1.00 12.30 H new ATOM 0 HG3 ARG A 28 3.903 -0.308 2.276 1.00 12.30 H new ATOM 0 HD2 ARG A 28 6.443 -0.597 2.698 1.00 43.00 H new ATOM 0 HD3 ARG A 28 6.216 0.345 4.158 1.00 43.00 H new ATOM 0 HE ARG A 28 4.714 -2.210 3.680 1.00 64.42 H new ATOM 0 HH11 ARG A 28 6.491 -0.099 5.841 1.00 4.13 H new ATOM 0 HH12 ARG A 28 6.483 -1.288 7.148 1.00 4.13 H new ATOM 0 HH21 ARG A 28 4.844 -3.703 5.313 1.00 20.12 H new ATOM 0 HH22 ARG A 28 5.579 -3.264 6.858 1.00 20.12 H new ATOM 457 N VAL A 29 4.625 2.794 -1.180 1.00 40.21 N ATOM 458 CA VAL A 29 5.160 3.620 -2.295 1.00 21.30 C ATOM 459 C VAL A 29 4.197 4.778 -2.615 1.00 13.23 C ATOM 460 O VAL A 29 4.583 5.950 -2.593 1.00 42.04 O ATOM 461 CB VAL A 29 5.438 2.763 -3.585 1.00 71.33 C ATOM 462 CG1 VAL A 29 5.833 3.635 -4.806 1.00 11.11 C ATOM 463 CG2 VAL A 29 6.519 1.701 -3.303 1.00 3.12 C ATOM 0 H VAL A 29 4.346 1.852 -1.454 1.00 40.21 H new ATOM 0 HA VAL A 29 6.115 4.031 -1.967 1.00 21.30 H new ATOM 0 HB VAL A 29 4.505 2.263 -3.843 1.00 71.33 H new ATOM 0 HG11 VAL A 29 6.013 2.993 -5.668 1.00 11.11 H new ATOM 0 HG12 VAL A 29 5.025 4.330 -5.034 1.00 11.11 H new ATOM 0 HG13 VAL A 29 6.739 4.195 -4.575 1.00 11.11 H new ATOM 0 HG21 VAL A 29 6.699 1.117 -4.205 1.00 3.12 H new ATOM 0 HG22 VAL A 29 7.443 2.194 -2.999 1.00 3.12 H new ATOM 0 HG23 VAL A 29 6.181 1.040 -2.505 1.00 3.12 H new ATOM 473 N LYS A 30 2.932 4.426 -2.868 1.00 1.42 N ATOM 474 CA LYS A 30 1.862 5.409 -3.144 1.00 11.31 C ATOM 475 C LYS A 30 1.524 6.227 -1.871 1.00 1.42 C ATOM 476 O LYS A 30 0.982 7.313 -1.970 1.00 61.32 O ATOM 477 CB LYS A 30 0.589 4.698 -3.703 1.00 32.04 C ATOM 478 CG LYS A 30 -0.280 4.001 -2.634 1.00 5.13 C ATOM 479 CD LYS A 30 -1.338 3.029 -3.211 1.00 31.10 C ATOM 480 CE LYS A 30 -2.419 3.719 -4.065 1.00 11.24 C ATOM 481 NZ LYS A 30 -3.241 4.664 -3.271 1.00 1.44 N ATOM 0 H LYS A 30 2.615 3.457 -2.889 1.00 1.42 H new ATOM 0 HA LYS A 30 2.224 6.102 -3.904 1.00 11.31 H new ATOM 0 HB2 LYS A 30 -0.022 5.434 -4.226 1.00 32.04 H new ATOM 0 HB3 LYS A 30 0.897 3.957 -4.441 1.00 32.04 H new ATOM 0 HG2 LYS A 30 0.371 3.450 -1.955 1.00 5.13 H new ATOM 0 HG3 LYS A 30 -0.787 4.762 -2.041 1.00 5.13 H new ATOM 0 HD2 LYS A 30 -0.834 2.277 -3.818 1.00 31.10 H new ATOM 0 HD3 LYS A 30 -1.821 2.502 -2.388 1.00 31.10 H new ATOM 0 HE2 LYS A 30 -1.943 4.255 -4.886 1.00 11.24 H new ATOM 0 HE3 LYS A 30 -3.066 2.963 -4.510 1.00 11.24 H new ATOM 0 HZ1 LYS A 30 -4.007 5.041 -3.864 1.00 1.44 H new ATOM 0 HZ2 LYS A 30 -3.649 4.167 -2.453 1.00 1.44 H new ATOM 0 HZ3 LYS A 30 -2.644 5.448 -2.938 1.00 1.44 H new ATOM 495 N ALA A 31 1.854 5.696 -0.665 1.00 21.02 N ATOM 496 CA ALA A 31 1.703 6.454 0.600 1.00 63.52 C ATOM 497 C ALA A 31 2.722 7.601 0.653 1.00 75.52 C ATOM 498 O ALA A 31 2.406 8.706 1.086 1.00 50.22 O ATOM 499 CB ALA A 31 1.871 5.540 1.824 1.00 50.41 C ATOM 0 H ALA A 31 2.223 4.753 -0.545 1.00 21.02 H new ATOM 0 HA ALA A 31 0.695 6.868 0.626 1.00 63.52 H new ATOM 0 HB1 ALA A 31 1.754 6.127 2.735 1.00 50.41 H new ATOM 0 HB2 ALA A 31 1.115 4.755 1.799 1.00 50.41 H new ATOM 0 HB3 ALA A 31 2.863 5.089 1.808 1.00 50.41 H new ATOM 505 N TYR A 32 3.942 7.314 0.172 1.00 51.24 N ATOM 506 CA TYR A 32 5.051 8.284 0.149 1.00 1.23 C ATOM 507 C TYR A 32 4.768 9.448 -0.806 1.00 65.43 C ATOM 508 O TYR A 32 5.025 10.596 -0.477 1.00 32.41 O ATOM 509 CB TYR A 32 6.370 7.568 -0.238 1.00 23.21 C ATOM 510 CG TYR A 32 7.605 8.493 -0.351 1.00 65.35 C ATOM 511 CD1 TYR A 32 8.293 8.925 0.787 1.00 44.14 C ATOM 512 CD2 TYR A 32 8.066 8.938 -1.596 1.00 11.12 C ATOM 513 CE1 TYR A 32 9.386 9.760 0.687 1.00 52.34 C ATOM 514 CE2 TYR A 32 9.160 9.770 -1.698 1.00 64.22 C ATOM 515 CZ TYR A 32 9.816 10.180 -0.557 1.00 22.53 C ATOM 516 OH TYR A 32 10.907 11.018 -0.655 1.00 52.14 O ATOM 0 H TYR A 32 4.189 6.402 -0.213 1.00 51.24 H new ATOM 0 HA TYR A 32 5.152 8.705 1.150 1.00 1.23 H new ATOM 0 HB2 TYR A 32 6.579 6.797 0.503 1.00 23.21 H new ATOM 0 HB3 TYR A 32 6.225 7.062 -1.192 1.00 23.21 H new ATOM 0 HD1 TYR A 32 7.962 8.599 1.762 1.00 44.14 H new ATOM 0 HD2 TYR A 32 7.554 8.623 -2.494 1.00 11.12 H new ATOM 0 HE1 TYR A 32 9.904 10.084 1.578 1.00 52.34 H new ATOM 0 HE2 TYR A 32 9.502 10.099 -2.668 1.00 64.22 H new ATOM 0 HH TYR A 32 11.081 11.219 -1.598 1.00 52.14 H new ATOM 526 N ASN A 33 4.253 9.117 -1.981 1.00 0.11 N ATOM 527 CA ASN A 33 4.008 10.085 -3.068 1.00 11.32 C ATOM 528 C ASN A 33 2.660 10.825 -2.915 1.00 2.34 C ATOM 529 O ASN A 33 2.600 12.055 -3.049 1.00 13.21 O ATOM 530 CB ASN A 33 4.078 9.365 -4.432 1.00 20.31 C ATOM 531 CG ASN A 33 5.461 8.769 -4.722 1.00 62.23 C ATOM 532 OD1 ASN A 33 5.737 7.607 -4.451 1.00 2.21 O ATOM 533 ND2 ASN A 33 6.349 9.571 -5.265 1.00 44.32 N ATOM 0 H ASN A 33 3.987 8.162 -2.220 1.00 0.11 H new ATOM 0 HA ASN A 33 4.788 10.844 -3.011 1.00 11.32 H new ATOM 0 HB2 ASN A 33 3.333 8.570 -4.456 1.00 20.31 H new ATOM 0 HB3 ASN A 33 3.818 10.069 -5.223 1.00 20.31 H new ATOM 0 HD21 ASN A 33 7.288 9.229 -5.468 1.00 44.32 H new ATOM 0 HD22 ASN A 33 6.099 10.536 -5.483 1.00 44.32 H new ATOM 540 N SER A 34 1.585 10.080 -2.613 1.00 34.35 N ATOM 541 CA SER A 34 0.201 10.642 -2.621 1.00 2.04 C ATOM 542 C SER A 34 -0.075 11.481 -1.358 1.00 65.32 C ATOM 543 O SER A 34 -0.592 12.608 -1.454 1.00 52.44 O ATOM 544 CB SER A 34 -0.854 9.525 -2.764 1.00 63.41 C ATOM 545 OG SER A 34 -2.171 10.041 -2.885 1.00 44.21 O ATOM 0 H SER A 34 1.634 9.093 -2.360 1.00 34.35 H new ATOM 0 HA SER A 34 0.126 11.299 -3.487 1.00 2.04 H new ATOM 0 HB2 SER A 34 -0.622 8.919 -3.640 1.00 63.41 H new ATOM 0 HB3 SER A 34 -0.802 8.866 -1.897 1.00 63.41 H new ATOM 0 HG SER A 34 -2.806 9.300 -2.975 1.00 44.21 H new ATOM 551 N ALA A 35 0.284 10.931 -0.172 1.00 72.35 N ATOM 552 CA ALA A 35 0.180 11.666 1.109 1.00 15.11 C ATOM 553 C ALA A 35 1.082 12.909 1.111 1.00 61.43 C ATOM 554 O ALA A 35 0.708 13.926 1.671 1.00 44.13 O ATOM 555 CB ALA A 35 0.513 10.774 2.317 1.00 41.32 C ATOM 0 H ALA A 35 0.647 9.983 -0.078 1.00 72.35 H new ATOM 0 HA ALA A 35 -0.859 11.983 1.202 1.00 15.11 H new ATOM 0 HB1 ALA A 35 0.424 11.356 3.234 1.00 41.32 H new ATOM 0 HB2 ALA A 35 -0.180 9.934 2.351 1.00 41.32 H new ATOM 0 HB3 ALA A 35 1.532 10.400 2.223 1.00 41.32 H new ATOM 561 N ALA A 36 2.270 12.807 0.460 1.00 62.35 N ATOM 562 CA ALA A 36 3.194 13.959 0.296 1.00 75.21 C ATOM 563 C ALA A 36 2.555 15.085 -0.541 1.00 62.31 C ATOM 564 O ALA A 36 2.553 16.227 -0.116 1.00 64.21 O ATOM 565 CB ALA A 36 4.513 13.525 -0.349 1.00 21.12 C ATOM 0 H ALA A 36 2.609 11.941 0.041 1.00 62.35 H new ATOM 0 HA ALA A 36 3.399 14.343 1.295 1.00 75.21 H new ATOM 0 HB1 ALA A 36 5.168 14.390 -0.456 1.00 21.12 H new ATOM 0 HB2 ALA A 36 4.997 12.778 0.280 1.00 21.12 H new ATOM 0 HB3 ALA A 36 4.314 13.097 -1.332 1.00 21.12 H new ATOM 571 N SER A 37 1.991 14.734 -1.717 1.00 61.25 N ATOM 572 CA SER A 37 1.363 15.722 -2.640 1.00 44.52 C ATOM 573 C SER A 37 0.234 16.529 -1.953 1.00 32.53 C ATOM 574 O SER A 37 0.105 17.731 -2.179 1.00 43.05 O ATOM 575 CB SER A 37 0.807 15.020 -3.908 1.00 71.03 C ATOM 576 OG SER A 37 1.839 14.399 -4.658 1.00 5.51 O ATOM 0 H SER A 37 1.955 13.773 -2.056 1.00 61.25 H new ATOM 0 HA SER A 37 2.147 16.421 -2.930 1.00 44.52 H new ATOM 0 HB2 SER A 37 0.069 14.273 -3.616 1.00 71.03 H new ATOM 0 HB3 SER A 37 0.292 15.750 -4.532 1.00 71.03 H new ATOM 0 HG SER A 37 2.153 13.601 -4.184 1.00 5.51 H new ATOM 582 N SER A 38 -0.560 15.848 -1.099 1.00 60.54 N ATOM 583 CA SER A 38 -1.721 16.453 -0.394 1.00 61.24 C ATOM 584 C SER A 38 -1.323 17.143 0.911 1.00 41.31 C ATOM 585 O SER A 38 -1.953 18.128 1.300 1.00 35.43 O ATOM 586 CB SER A 38 -2.807 15.387 -0.128 1.00 22.53 C ATOM 587 OG SER A 38 -3.966 15.951 0.475 1.00 32.32 O ATOM 0 H SER A 38 -0.418 14.863 -0.876 1.00 60.54 H new ATOM 0 HA SER A 38 -2.124 17.223 -1.052 1.00 61.24 H new ATOM 0 HB2 SER A 38 -3.083 14.907 -1.067 1.00 22.53 H new ATOM 0 HB3 SER A 38 -2.402 14.610 0.520 1.00 22.53 H new ATOM 0 HG SER A 38 -4.631 15.247 0.627 1.00 32.32 H new ATOM 593 N ASP A 39 -0.287 16.633 1.586 1.00 15.41 N ATOM 594 CA ASP A 39 0.237 17.262 2.819 1.00 41.35 C ATOM 595 C ASP A 39 0.939 18.589 2.493 1.00 22.53 C ATOM 596 O ASP A 39 0.716 19.597 3.154 1.00 30.53 O ATOM 597 CB ASP A 39 1.219 16.315 3.535 1.00 32.23 C ATOM 598 CG ASP A 39 1.710 16.857 4.886 1.00 64.21 C ATOM 599 OD1 ASP A 39 0.872 17.062 5.788 1.00 40.44 O ATOM 600 OD2 ASP A 39 2.924 17.080 5.059 1.00 71.11 O ATOM 0 H ASP A 39 0.210 15.787 1.305 1.00 15.41 H new ATOM 0 HA ASP A 39 -0.606 17.462 3.480 1.00 41.35 H new ATOM 0 HB2 ASP A 39 0.734 15.352 3.692 1.00 32.23 H new ATOM 0 HB3 ASP A 39 2.078 16.138 2.889 1.00 32.23 H new ATOM 605 N LEU A 40 1.763 18.567 1.432 1.00 61.33 N ATOM 606 CA LEU A 40 2.540 19.740 0.990 1.00 22.04 C ATOM 607 C LEU A 40 1.609 20.785 0.350 1.00 71.13 C ATOM 608 O LEU A 40 1.906 21.973 0.374 1.00 1.23 O ATOM 609 CB LEU A 40 3.659 19.321 -0.006 1.00 30.32 C ATOM 610 CG LEU A 40 4.750 18.341 0.553 1.00 41.22 C ATOM 611 CD1 LEU A 40 5.779 17.954 -0.539 1.00 34.23 C ATOM 612 CD2 LEU A 40 5.446 18.922 1.809 1.00 33.33 C ATOM 0 H LEU A 40 1.910 17.738 0.857 1.00 61.33 H new ATOM 0 HA LEU A 40 3.016 20.185 1.863 1.00 22.04 H new ATOM 0 HB2 LEU A 40 3.190 18.854 -0.872 1.00 30.32 H new ATOM 0 HB3 LEU A 40 4.158 20.223 -0.361 1.00 30.32 H new ATOM 0 HG LEU A 40 4.240 17.427 0.858 1.00 41.22 H new ATOM 0 HD11 LEU A 40 6.519 17.275 -0.117 1.00 34.23 H new ATOM 0 HD12 LEU A 40 5.265 17.463 -1.365 1.00 34.23 H new ATOM 0 HD13 LEU A 40 6.277 18.852 -0.904 1.00 34.23 H new ATOM 0 HD21 LEU A 40 6.195 18.217 2.169 1.00 33.33 H new ATOM 0 HD22 LEU A 40 5.929 19.865 1.554 1.00 33.33 H new ATOM 0 HD23 LEU A 40 4.705 19.093 2.589 1.00 33.33 H new ATOM 624 N ARG A 41 0.480 20.310 -0.221 1.00 2.53 N ATOM 625 CA ARG A 41 -0.591 21.173 -0.753 1.00 70.43 C ATOM 626 C ARG A 41 -1.363 21.850 0.401 1.00 70.42 C ATOM 627 O ARG A 41 -1.679 23.035 0.333 1.00 60.42 O ATOM 628 CB ARG A 41 -1.554 20.321 -1.618 1.00 2.24 C ATOM 629 CG ARG A 41 -2.694 21.100 -2.302 1.00 52.30 C ATOM 630 CD ARG A 41 -2.184 22.178 -3.274 1.00 15.34 C ATOM 631 NE ARG A 41 -1.303 21.613 -4.303 1.00 23.30 N ATOM 632 CZ ARG A 41 -0.432 22.292 -5.022 1.00 60.34 C ATOM 633 NH1 ARG A 41 -0.268 23.574 -4.871 1.00 61.01 N ATOM 634 NH2 ARG A 41 0.285 21.670 -5.891 1.00 12.33 N ATOM 0 H ARG A 41 0.288 19.314 -0.325 1.00 2.53 H new ATOM 0 HA ARG A 41 -0.148 21.955 -1.370 1.00 70.43 H new ATOM 0 HB2 ARG A 41 -0.971 19.813 -2.387 1.00 2.24 H new ATOM 0 HB3 ARG A 41 -1.993 19.547 -0.988 1.00 2.24 H new ATOM 0 HG2 ARG A 41 -3.330 20.401 -2.844 1.00 52.30 H new ATOM 0 HG3 ARG A 41 -3.315 21.570 -1.539 1.00 52.30 H new ATOM 0 HD2 ARG A 41 -3.033 22.667 -3.751 1.00 15.34 H new ATOM 0 HD3 ARG A 41 -1.646 22.945 -2.716 1.00 15.34 H new ATOM 0 HE ARG A 41 -1.371 20.610 -4.476 1.00 23.30 H new ATOM 0 HH11 ARG A 41 -0.822 24.081 -4.181 1.00 61.01 H new ATOM 0 HH12 ARG A 41 0.414 24.072 -5.443 1.00 61.01 H new ATOM 0 HH21 ARG A 41 0.175 20.664 -6.017 1.00 12.33 H new ATOM 0 HH22 ARG A 41 0.963 22.183 -6.454 1.00 12.33 H new ATOM 648 N ASN A 42 -1.659 21.055 1.446 1.00 43.34 N ATOM 649 CA ASN A 42 -2.342 21.522 2.680 1.00 2.31 C ATOM 650 C ASN A 42 -1.514 22.606 3.428 1.00 72.50 C ATOM 651 O ASN A 42 -2.052 23.635 3.870 1.00 45.44 O ATOM 652 CB ASN A 42 -2.599 20.303 3.612 1.00 20.25 C ATOM 653 CG ASN A 42 -3.417 20.632 4.868 1.00 1.32 C ATOM 654 OD1 ASN A 42 -4.291 21.495 4.852 1.00 64.21 O ATOM 655 ND2 ASN A 42 -3.138 19.961 5.970 1.00 41.21 N ATOM 0 H ASN A 42 -1.431 20.061 1.464 1.00 43.34 H new ATOM 0 HA ASN A 42 -3.289 21.981 2.395 1.00 2.31 H new ATOM 0 HB2 ASN A 42 -3.119 19.530 3.046 1.00 20.25 H new ATOM 0 HB3 ASN A 42 -1.640 19.884 3.916 1.00 20.25 H new ATOM 0 HD21 ASN A 42 -3.652 20.155 6.829 1.00 41.21 H new ATOM 0 HD22 ASN A 42 -2.408 19.248 5.962 1.00 41.21 H new ATOM 662 N LEU A 43 -0.198 22.364 3.543 1.00 73.23 N ATOM 663 CA LEU A 43 0.732 23.278 4.241 1.00 75.21 C ATOM 664 C LEU A 43 1.030 24.525 3.388 1.00 33.13 C ATOM 665 O LEU A 43 1.218 25.619 3.928 1.00 2.15 O ATOM 666 CB LEU A 43 2.050 22.538 4.592 1.00 15.23 C ATOM 667 CG LEU A 43 1.909 21.296 5.536 1.00 4.24 C ATOM 668 CD1 LEU A 43 3.270 20.603 5.767 1.00 10.21 C ATOM 669 CD2 LEU A 43 1.228 21.670 6.878 1.00 32.32 C ATOM 0 H LEU A 43 0.253 21.534 3.158 1.00 73.23 H new ATOM 0 HA LEU A 43 0.254 23.607 5.164 1.00 75.21 H new ATOM 0 HB2 LEU A 43 2.519 22.212 3.664 1.00 15.23 H new ATOM 0 HB3 LEU A 43 2.730 23.250 5.060 1.00 15.23 H new ATOM 0 HG LEU A 43 1.259 20.581 5.032 1.00 4.24 H new ATOM 0 HD11 LEU A 43 3.135 19.746 6.426 1.00 10.21 H new ATOM 0 HD12 LEU A 43 3.673 20.266 4.812 1.00 10.21 H new ATOM 0 HD13 LEU A 43 3.964 21.308 6.226 1.00 10.21 H new ATOM 0 HD21 LEU A 43 1.148 20.782 7.505 1.00 32.32 H new ATOM 0 HD22 LEU A 43 1.825 22.424 7.391 1.00 32.32 H new ATOM 0 HD23 LEU A 43 0.232 22.067 6.682 1.00 32.32 H new ATOM 681 N LYS A 44 1.053 24.350 2.049 1.00 71.11 N ATOM 682 CA LYS A 44 1.321 25.458 1.113 1.00 40.00 C ATOM 683 C LYS A 44 0.125 26.406 1.080 1.00 60.11 C ATOM 684 O LYS A 44 0.292 27.598 1.248 1.00 70.52 O ATOM 685 CB LYS A 44 1.640 24.929 -0.310 1.00 52.03 C ATOM 686 CG LYS A 44 1.770 26.019 -1.405 1.00 2.34 C ATOM 687 CD LYS A 44 2.338 25.483 -2.743 1.00 4.54 C ATOM 688 CE LYS A 44 3.824 25.095 -2.638 1.00 60.13 C ATOM 689 NZ LYS A 44 4.679 26.253 -2.270 1.00 62.31 N ATOM 0 H LYS A 44 0.889 23.452 1.594 1.00 71.11 H new ATOM 0 HA LYS A 44 2.198 26.002 1.464 1.00 40.00 H new ATOM 0 HB2 LYS A 44 2.571 24.364 -0.270 1.00 52.03 H new ATOM 0 HB3 LYS A 44 0.856 24.231 -0.605 1.00 52.03 H new ATOM 0 HG2 LYS A 44 0.790 26.460 -1.586 1.00 2.34 H new ATOM 0 HG3 LYS A 44 2.416 26.817 -1.038 1.00 2.34 H new ATOM 0 HD2 LYS A 44 1.760 24.614 -3.057 1.00 4.54 H new ATOM 0 HD3 LYS A 44 2.218 26.242 -3.516 1.00 4.54 H new ATOM 0 HE2 LYS A 44 3.941 24.307 -1.894 1.00 60.13 H new ATOM 0 HE3 LYS A 44 4.160 24.685 -3.591 1.00 60.13 H new ATOM 0 HZ1 LYS A 44 5.677 26.015 -2.439 1.00 62.31 H new ATOM 0 HZ2 LYS A 44 4.416 27.076 -2.849 1.00 62.31 H new ATOM 0 HZ3 LYS A 44 4.543 26.479 -1.264 1.00 62.31 H new ATOM 703 N THR A 45 -1.088 25.839 0.935 1.00 45.21 N ATOM 704 CA THR A 45 -2.339 26.627 0.806 1.00 12.21 C ATOM 705 C THR A 45 -2.593 27.482 2.067 1.00 33.53 C ATOM 706 O THR A 45 -3.060 28.615 1.972 1.00 0.02 O ATOM 707 CB THR A 45 -3.579 25.705 0.499 1.00 15.02 C ATOM 708 OG1 THR A 45 -4.649 26.487 -0.077 1.00 55.10 O ATOM 709 CG2 THR A 45 -4.126 24.955 1.733 1.00 23.01 C ATOM 0 H THR A 45 -1.233 24.830 0.904 1.00 45.21 H new ATOM 0 HA THR A 45 -2.209 27.300 -0.041 1.00 12.21 H new ATOM 0 HB THR A 45 -3.217 24.952 -0.201 1.00 15.02 H new ATOM 0 HG1 THR A 45 -5.415 25.905 -0.266 1.00 55.10 H new ATOM 0 HG21 THR A 45 -4.978 24.342 1.438 1.00 23.01 H new ATOM 0 HG22 THR A 45 -3.345 24.316 2.146 1.00 23.01 H new ATOM 0 HG23 THR A 45 -4.441 25.676 2.487 1.00 23.01 H new ATOM 717 N ALA A 46 -2.233 26.921 3.238 1.00 53.30 N ATOM 718 CA ALA A 46 -2.307 27.621 4.536 1.00 42.01 C ATOM 719 C ALA A 46 -1.357 28.841 4.581 1.00 51.55 C ATOM 720 O ALA A 46 -1.781 29.952 4.914 1.00 60.21 O ATOM 721 CB ALA A 46 -1.994 26.638 5.680 1.00 13.10 C ATOM 0 H ALA A 46 -1.881 25.966 3.311 1.00 53.30 H new ATOM 0 HA ALA A 46 -3.321 27.999 4.662 1.00 42.01 H new ATOM 0 HB1 ALA A 46 -2.050 27.161 6.635 1.00 13.10 H new ATOM 0 HB2 ALA A 46 -2.719 25.824 5.669 1.00 13.10 H new ATOM 0 HB3 ALA A 46 -0.991 26.232 5.547 1.00 13.10 H new ATOM 727 N LEU A 47 -0.080 28.614 4.211 1.00 44.13 N ATOM 728 CA LEU A 47 0.975 29.664 4.213 1.00 5.54 C ATOM 729 C LEU A 47 0.721 30.769 3.158 1.00 12.14 C ATOM 730 O LEU A 47 0.906 31.957 3.445 1.00 1.44 O ATOM 731 CB LEU A 47 2.385 29.016 4.005 1.00 32.15 C ATOM 732 CG LEU A 47 3.134 28.538 5.301 1.00 73.30 C ATOM 733 CD1 LEU A 47 2.254 27.630 6.194 1.00 23.35 C ATOM 734 CD2 LEU A 47 4.472 27.841 4.938 1.00 13.33 C ATOM 0 H LEU A 47 0.255 27.701 3.902 1.00 44.13 H new ATOM 0 HA LEU A 47 0.942 30.149 5.188 1.00 5.54 H new ATOM 0 HB2 LEU A 47 2.272 28.159 3.340 1.00 32.15 H new ATOM 0 HB3 LEU A 47 3.020 29.737 3.490 1.00 32.15 H new ATOM 0 HG LEU A 47 3.357 29.429 5.888 1.00 73.30 H new ATOM 0 HD11 LEU A 47 2.820 27.328 7.075 1.00 23.35 H new ATOM 0 HD12 LEU A 47 1.364 28.177 6.504 1.00 23.35 H new ATOM 0 HD13 LEU A 47 1.958 26.744 5.632 1.00 23.35 H new ATOM 0 HD21 LEU A 47 4.973 27.518 5.850 1.00 13.33 H new ATOM 0 HD22 LEU A 47 4.272 26.974 4.308 1.00 13.33 H new ATOM 0 HD23 LEU A 47 5.112 28.540 4.400 1.00 13.33 H new ATOM 746 N GLU A 48 0.294 30.364 1.945 1.00 3.31 N ATOM 747 CA GLU A 48 0.036 31.290 0.824 1.00 72.54 C ATOM 748 C GLU A 48 -1.176 32.181 1.123 1.00 1.32 C ATOM 749 O GLU A 48 -1.110 33.392 0.933 1.00 62.44 O ATOM 750 CB GLU A 48 -0.196 30.519 -0.507 1.00 5.45 C ATOM 751 CG GLU A 48 0.987 29.651 -0.988 1.00 42.24 C ATOM 752 CD GLU A 48 2.302 30.426 -1.169 1.00 73.01 C ATOM 753 OE1 GLU A 48 2.421 31.196 -2.146 1.00 22.35 O ATOM 754 OE2 GLU A 48 3.231 30.247 -0.352 1.00 14.04 O ATOM 0 H GLU A 48 0.118 29.386 1.715 1.00 3.31 H new ATOM 0 HA GLU A 48 0.921 31.917 0.710 1.00 72.54 H new ATOM 0 HB2 GLU A 48 -1.069 29.878 -0.388 1.00 5.45 H new ATOM 0 HB3 GLU A 48 -0.435 31.241 -1.288 1.00 5.45 H new ATOM 0 HG2 GLU A 48 1.148 28.846 -0.271 1.00 42.24 H new ATOM 0 HG3 GLU A 48 0.719 29.184 -1.936 1.00 42.24 H new ATOM 761 N SER A 49 -2.272 31.568 1.622 1.00 14.32 N ATOM 762 CA SER A 49 -3.511 32.304 1.969 1.00 63.02 C ATOM 763 C SER A 49 -3.286 33.269 3.151 1.00 30.23 C ATOM 764 O SER A 49 -3.824 34.362 3.148 1.00 64.04 O ATOM 765 CB SER A 49 -4.678 31.340 2.286 1.00 4.13 C ATOM 766 OG SER A 49 -4.997 30.521 1.167 1.00 74.32 O ATOM 0 H SER A 49 -2.325 30.564 1.794 1.00 14.32 H new ATOM 0 HA SER A 49 -3.781 32.892 1.092 1.00 63.02 H new ATOM 0 HB2 SER A 49 -4.411 30.710 3.135 1.00 4.13 H new ATOM 0 HB3 SER A 49 -5.556 31.915 2.580 1.00 4.13 H new ATOM 0 HG SER A 49 -4.425 29.726 1.170 1.00 74.32 H new ATOM 772 N ALA A 50 -2.462 32.852 4.137 1.00 73.21 N ATOM 773 CA ALA A 50 -2.133 33.679 5.331 1.00 3.01 C ATOM 774 C ALA A 50 -1.279 34.919 4.965 1.00 35.11 C ATOM 775 O ALA A 50 -1.601 36.052 5.349 1.00 42.11 O ATOM 776 CB ALA A 50 -1.397 32.819 6.375 1.00 13.11 C ATOM 0 H ALA A 50 -2.006 31.940 4.133 1.00 73.21 H new ATOM 0 HA ALA A 50 -3.072 34.043 5.749 1.00 3.01 H new ATOM 0 HB1 ALA A 50 -1.159 33.429 7.246 1.00 13.11 H new ATOM 0 HB2 ALA A 50 -2.035 31.988 6.677 1.00 13.11 H new ATOM 0 HB3 ALA A 50 -0.476 32.430 5.942 1.00 13.11 H new ATOM 782 N PHE A 51 -0.198 34.684 4.202 1.00 3.44 N ATOM 783 CA PHE A 51 0.771 35.737 3.808 1.00 12.13 C ATOM 784 C PHE A 51 0.170 36.697 2.746 1.00 44.33 C ATOM 785 O PHE A 51 0.536 37.875 2.685 1.00 72.12 O ATOM 786 CB PHE A 51 2.075 35.067 3.296 1.00 54.51 C ATOM 787 CG PHE A 51 3.229 36.030 2.970 1.00 61.12 C ATOM 788 CD1 PHE A 51 3.674 36.961 3.915 1.00 12.52 C ATOM 789 CD2 PHE A 51 3.868 36.001 1.727 1.00 33.00 C ATOM 790 CE1 PHE A 51 4.714 37.822 3.626 1.00 43.31 C ATOM 791 CE2 PHE A 51 4.910 36.864 1.442 1.00 34.00 C ATOM 792 CZ PHE A 51 5.332 37.776 2.389 1.00 24.42 C ATOM 0 H PHE A 51 0.034 33.760 3.838 1.00 3.44 H new ATOM 0 HA PHE A 51 1.005 36.347 4.681 1.00 12.13 H new ATOM 0 HB2 PHE A 51 2.418 34.358 4.049 1.00 54.51 H new ATOM 0 HB3 PHE A 51 1.840 34.492 2.400 1.00 54.51 H new ATOM 0 HD1 PHE A 51 3.198 37.007 4.883 1.00 12.52 H new ATOM 0 HD2 PHE A 51 3.543 35.294 0.978 1.00 33.00 H new ATOM 0 HE1 PHE A 51 5.046 38.533 4.368 1.00 43.31 H new ATOM 0 HE2 PHE A 51 5.394 36.825 0.478 1.00 34.00 H new ATOM 0 HZ PHE A 51 6.143 38.452 2.164 1.00 24.42 H new ATOM 802 N ALA A 52 -0.765 36.174 1.929 1.00 33.30 N ATOM 803 CA ALA A 52 -1.473 36.965 0.886 1.00 13.42 C ATOM 804 C ALA A 52 -2.783 37.588 1.415 1.00 12.34 C ATOM 805 O ALA A 52 -3.375 38.433 0.738 1.00 54.20 O ATOM 806 CB ALA A 52 -1.756 36.095 -0.352 1.00 41.14 C ATOM 0 H ALA A 52 -1.055 35.197 1.968 1.00 33.30 H new ATOM 0 HA ALA A 52 -0.814 37.786 0.603 1.00 13.42 H new ATOM 0 HB1 ALA A 52 -2.274 36.690 -1.104 1.00 41.14 H new ATOM 0 HB2 ALA A 52 -0.815 35.730 -0.763 1.00 41.14 H new ATOM 0 HB3 ALA A 52 -2.380 35.248 -0.067 1.00 41.14 H new ATOM 812 N ASP A 53 -3.235 37.158 2.616 1.00 42.51 N ATOM 813 CA ASP A 53 -4.428 37.730 3.288 1.00 62.34 C ATOM 814 C ASP A 53 -4.187 39.221 3.609 1.00 22.10 C ATOM 815 O ASP A 53 -5.002 40.086 3.280 1.00 55.03 O ATOM 816 CB ASP A 53 -4.733 36.932 4.579 1.00 74.43 C ATOM 817 CG ASP A 53 -6.018 37.366 5.291 1.00 64.14 C ATOM 818 OD1 ASP A 53 -5.962 38.269 6.154 1.00 63.14 O ATOM 819 OD2 ASP A 53 -7.093 36.806 4.998 1.00 3.43 O ATOM 0 H ASP A 53 -2.787 36.410 3.145 1.00 42.51 H new ATOM 0 HA ASP A 53 -5.289 37.657 2.623 1.00 62.34 H new ATOM 0 HB2 ASP A 53 -4.807 35.873 4.330 1.00 74.43 H new ATOM 0 HB3 ASP A 53 -3.894 37.040 5.267 1.00 74.43 H new ATOM 824 N ASP A 54 -3.039 39.492 4.247 1.00 35.41 N ATOM 825 CA ASP A 54 -2.581 40.858 4.541 1.00 11.42 C ATOM 826 C ASP A 54 -1.065 40.964 4.232 1.00 70.32 C ATOM 827 O ASP A 54 -0.229 40.513 5.016 1.00 3.03 O ATOM 828 CB ASP A 54 -2.915 41.230 6.014 1.00 2.25 C ATOM 829 CG ASP A 54 -2.582 42.693 6.360 1.00 61.10 C ATOM 830 OD1 ASP A 54 -3.053 43.600 5.641 1.00 70.03 O ATOM 831 OD2 ASP A 54 -1.836 42.944 7.328 1.00 12.05 O ATOM 0 H ASP A 54 -2.400 38.768 4.575 1.00 35.41 H new ATOM 0 HA ASP A 54 -3.103 41.576 3.908 1.00 11.42 H new ATOM 0 HB2 ASP A 54 -3.975 41.053 6.195 1.00 2.25 H new ATOM 0 HB3 ASP A 54 -2.362 40.570 6.683 1.00 2.25 H new ATOM 836 N GLN A 55 -0.739 41.526 3.049 1.00 21.32 N ATOM 837 CA GLN A 55 0.654 41.681 2.553 1.00 61.23 C ATOM 838 C GLN A 55 0.931 43.177 2.223 1.00 32.44 C ATOM 839 O GLN A 55 1.828 43.517 1.445 1.00 54.42 O ATOM 840 CB GLN A 55 0.844 40.776 1.296 1.00 1.24 C ATOM 841 CG GLN A 55 2.307 40.385 0.986 1.00 22.32 C ATOM 842 CD GLN A 55 2.434 39.488 -0.248 1.00 1.23 C ATOM 843 OE1 GLN A 55 2.654 39.961 -1.362 1.00 52.13 O ATOM 844 NE2 GLN A 55 2.253 38.193 -0.062 1.00 11.41 N ATOM 0 H GLN A 55 -1.438 41.890 2.402 1.00 21.32 H new ATOM 0 HA GLN A 55 1.367 41.372 3.318 1.00 61.23 H new ATOM 0 HB2 GLN A 55 0.262 39.865 1.432 1.00 1.24 H new ATOM 0 HB3 GLN A 55 0.431 41.292 0.430 1.00 1.24 H new ATOM 0 HG2 GLN A 55 2.895 41.290 0.834 1.00 22.32 H new ATOM 0 HG3 GLN A 55 2.731 39.871 1.848 1.00 22.32 H new ATOM 0 HE21 GLN A 55 2.072 37.833 0.875 1.00 11.41 H new ATOM 0 HE22 GLN A 55 2.294 37.553 -0.855 1.00 11.41 H new ATOM 853 N THR A 56 0.160 44.066 2.871 1.00 64.33 N ATOM 854 CA THR A 56 0.195 45.531 2.630 1.00 35.13 C ATOM 855 C THR A 56 1.382 46.236 3.337 1.00 74.40 C ATOM 856 O THR A 56 1.594 47.437 3.142 1.00 42.14 O ATOM 857 CB THR A 56 -1.141 46.195 3.104 1.00 73.20 C ATOM 858 OG1 THR A 56 -1.360 45.911 4.502 1.00 60.32 O ATOM 859 CG2 THR A 56 -2.344 45.706 2.283 1.00 15.42 C ATOM 0 H THR A 56 -0.514 43.792 3.586 1.00 64.33 H new ATOM 0 HA THR A 56 0.325 45.657 1.555 1.00 35.13 H new ATOM 0 HB THR A 56 -1.048 47.271 2.953 1.00 73.20 H new ATOM 0 HG1 THR A 56 -1.936 45.123 4.589 1.00 60.32 H new ATOM 0 HG21 THR A 56 -3.252 46.190 2.643 1.00 15.42 H new ATOM 0 HG22 THR A 56 -2.193 45.954 1.233 1.00 15.42 H new ATOM 0 HG23 THR A 56 -2.442 44.626 2.390 1.00 15.42 H new ATOM 867 N TYR A 57 2.138 45.484 4.159 1.00 52.12 N ATOM 868 CA TYR A 57 3.314 46.009 4.886 1.00 50.32 C ATOM 869 C TYR A 57 4.440 46.436 3.889 1.00 34.52 C ATOM 870 O TYR A 57 4.741 45.690 2.941 1.00 54.33 O ATOM 871 CB TYR A 57 3.847 44.962 5.920 1.00 24.12 C ATOM 872 CG TYR A 57 4.591 43.746 5.317 1.00 21.22 C ATOM 873 CD1 TYR A 57 3.911 42.746 4.611 1.00 73.13 C ATOM 874 CD2 TYR A 57 5.983 43.618 5.439 1.00 0.24 C ATOM 875 CE1 TYR A 57 4.589 41.673 4.059 1.00 1.21 C ATOM 876 CE2 TYR A 57 6.657 42.548 4.891 1.00 50.32 C ATOM 877 CZ TYR A 57 5.959 41.581 4.198 1.00 4.44 C ATOM 878 OH TYR A 57 6.641 40.518 3.646 1.00 73.54 O ATOM 0 H TYR A 57 1.953 44.497 4.339 1.00 52.12 H new ATOM 0 HA TYR A 57 3.001 46.895 5.439 1.00 50.32 H new ATOM 0 HB2 TYR A 57 4.519 45.470 6.611 1.00 24.12 H new ATOM 0 HB3 TYR A 57 3.004 44.596 6.506 1.00 24.12 H new ATOM 0 HD1 TYR A 57 2.839 42.813 4.495 1.00 73.13 H new ATOM 0 HD2 TYR A 57 6.538 44.374 5.974 1.00 0.24 H new ATOM 0 HE1 TYR A 57 4.047 40.909 3.521 1.00 1.21 H new ATOM 0 HE2 TYR A 57 7.728 42.467 5.004 1.00 50.32 H new ATOM 0 HH TYR A 57 6.018 39.779 3.484 1.00 73.54 H new ATOM 888 N PRO A 58 5.038 47.659 4.042 1.00 64.31 N ATOM 889 CA PRO A 58 6.217 48.094 3.233 1.00 43.31 C ATOM 890 C PRO A 58 7.506 47.264 3.546 1.00 42.04 C ATOM 891 O PRO A 58 7.549 46.546 4.553 1.00 0.30 O ATOM 892 CB PRO A 58 6.383 49.599 3.629 1.00 54.01 C ATOM 893 CG PRO A 58 5.077 49.980 4.267 1.00 54.25 C ATOM 894 CD PRO A 58 4.609 48.732 4.973 1.00 1.32 C ATOM 0 HA PRO A 58 6.065 47.943 2.164 1.00 43.31 H new ATOM 0 HB2 PRO A 58 7.215 49.736 4.320 1.00 54.01 H new ATOM 0 HB3 PRO A 58 6.590 50.216 2.755 1.00 54.01 H new ATOM 0 HG2 PRO A 58 5.206 50.805 4.968 1.00 54.25 H new ATOM 0 HG3 PRO A 58 4.353 50.306 3.520 1.00 54.25 H new ATOM 0 HD2 PRO A 58 5.068 48.625 5.956 1.00 1.32 H new ATOM 0 HD3 PRO A 58 3.529 48.731 5.124 1.00 1.32 H new ATOM 902 N PRO A 59 8.592 47.360 2.689 1.00 71.14 N ATOM 903 CA PRO A 59 9.912 46.696 2.967 1.00 40.34 C ATOM 904 C PRO A 59 10.642 47.199 4.254 1.00 24.12 C ATOM 905 O PRO A 59 11.721 46.695 4.571 1.00 41.21 O ATOM 906 CB PRO A 59 10.741 47.005 1.686 1.00 4.13 C ATOM 907 CG PRO A 59 10.088 48.222 1.094 1.00 74.43 C ATOM 908 CD PRO A 59 8.612 48.057 1.371 1.00 31.41 C ATOM 0 HA PRO A 59 9.778 45.634 3.170 1.00 40.34 H new ATOM 0 HB2 PRO A 59 11.787 47.195 1.927 1.00 4.13 H new ATOM 0 HB3 PRO A 59 10.721 46.167 0.990 1.00 4.13 H new ATOM 0 HG2 PRO A 59 10.474 49.135 1.547 1.00 74.43 H new ATOM 0 HG3 PRO A 59 10.282 48.291 0.024 1.00 74.43 H new ATOM 0 HD2 PRO A 59 8.100 49.018 1.415 1.00 31.41 H new ATOM 0 HD3 PRO A 59 8.120 47.469 0.596 1.00 31.41 H new ATOM 916 N GLU A 60 10.048 48.198 4.963 1.00 13.31 N ATOM 917 CA GLU A 60 10.525 48.717 6.277 1.00 24.13 C ATOM 918 C GLU A 60 11.924 49.383 6.173 1.00 32.21 C ATOM 919 O GLU A 60 12.771 49.218 7.060 1.00 55.00 O ATOM 920 CB GLU A 60 10.483 47.595 7.366 1.00 72.22 C ATOM 921 CG GLU A 60 9.084 46.975 7.596 1.00 54.31 C ATOM 922 CD GLU A 60 9.054 45.948 8.748 1.00 1.41 C ATOM 923 OE1 GLU A 60 9.537 44.810 8.560 1.00 41.23 O ATOM 924 OE2 GLU A 60 8.569 46.279 9.854 1.00 44.23 O ATOM 0 H GLU A 60 9.209 48.674 4.632 1.00 13.31 H new ATOM 0 HA GLU A 60 9.839 49.505 6.589 1.00 24.13 H new ATOM 0 HB2 GLU A 60 11.175 46.803 7.080 1.00 72.22 H new ATOM 0 HB3 GLU A 60 10.843 48.008 8.309 1.00 72.22 H new ATOM 0 HG2 GLU A 60 8.372 47.772 7.810 1.00 54.31 H new ATOM 0 HG3 GLU A 60 8.753 46.490 6.677 1.00 54.31 H new ATOM 931 N SER A 61 12.108 50.167 5.080 1.00 35.30 N ATOM 932 CA SER A 61 13.348 50.941 4.765 1.00 32.44 C ATOM 933 C SER A 61 14.565 50.006 4.462 1.00 1.22 C ATOM 934 O SER A 61 15.294 49.602 5.402 1.00 61.40 O ATOM 935 CB SER A 61 13.691 51.961 5.889 1.00 52.24 C ATOM 936 OG SER A 61 12.600 52.835 6.156 1.00 11.53 O ATOM 937 OXT SER A 61 14.765 49.654 3.283 1.00 37.25 O ATOM 0 H SER A 61 11.383 50.285 4.372 1.00 35.30 H new ATOM 0 HA SER A 61 13.140 51.506 3.856 1.00 32.44 H new ATOM 0 HB2 SER A 61 13.958 51.424 6.799 1.00 52.24 H new ATOM 0 HB3 SER A 61 14.563 52.546 5.596 1.00 52.24 H new ATOM 0 HG SER A 61 12.849 53.461 6.868 1.00 11.53 H new TER 943 SER A 61