USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 427 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 15 CYS SG : rot -139:sc= -1.58 USER MOD Set 1.2: A 18 HIS : no HE2:sc= -6.63! C(o=-15!,f=-18!) USER MOD Set 1.3: A 34 CYS SG : rot 164:sc= -2.19! USER MOD Set 1.4: A 37 CYS SG : rot -36:sc= -4.91! USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.146 USER MOD Single : A 17 ASN : amide:sc=-0.00398 X(o=-0.004,f=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl -128:sc= -0.0725 (180deg=-1.55!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot -146:sc= 0.309 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.375 K(o=-0.37,f=-2.9!) USER MOD Single : A 59 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.212) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -30.546 -5.065 -11.262 1.00 0.00 N ATOM 2 CA ALA A 2 -30.284 -3.762 -11.929 1.00 0.00 C ATOM 3 C ALA A 2 -29.084 -3.857 -12.865 1.00 0.00 C ATOM 4 O ALA A 2 -27.937 -3.759 -12.429 1.00 0.00 O ATOM 5 CB ALA A 2 -30.060 -2.675 -10.891 1.00 0.00 C ATOM 0 HA ALA A 2 -31.159 -3.505 -12.526 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -29.869 -1.726 -11.393 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -30.947 -2.582 -10.264 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -29.203 -2.936 -10.270 1.00 0.00 H new ATOM 10 N SER A 3 -29.356 -4.048 -14.152 1.00 0.00 N ATOM 11 CA SER A 3 -28.298 -4.154 -15.149 1.00 0.00 C ATOM 12 C SER A 3 -27.946 -2.783 -15.717 1.00 0.00 C ATOM 13 O SER A 3 -27.945 -2.582 -16.931 1.00 0.00 O ATOM 14 CB SER A 3 -28.724 -5.096 -16.276 1.00 0.00 C ATOM 15 OG SER A 3 -28.833 -6.432 -15.814 1.00 0.00 O ATOM 0 H SER A 3 -30.300 -4.132 -14.528 1.00 0.00 H new ATOM 0 HA SER A 3 -27.412 -4.561 -14.662 1.00 0.00 H new ATOM 0 HB2 SER A 3 -29.681 -4.770 -16.684 1.00 0.00 H new ATOM 0 HB3 SER A 3 -27.998 -5.047 -17.088 1.00 0.00 H new ATOM 0 HG SER A 3 -29.108 -7.013 -16.554 1.00 0.00 H new ATOM 21 N THR A 4 -27.646 -1.841 -14.828 1.00 0.00 N ATOM 22 CA THR A 4 -27.291 -0.487 -15.239 1.00 0.00 C ATOM 23 C THR A 4 -25.975 -0.053 -14.602 1.00 0.00 C ATOM 24 O THR A 4 -25.828 1.091 -14.173 1.00 0.00 O ATOM 25 CB THR A 4 -28.403 0.490 -14.856 1.00 0.00 C ATOM 26 OG1 THR A 4 -29.033 0.087 -13.653 1.00 0.00 O ATOM 27 CG2 THR A 4 -29.476 0.619 -15.916 1.00 0.00 C ATOM 0 H THR A 4 -27.642 -1.990 -13.819 1.00 0.00 H new ATOM 0 HA THR A 4 -27.168 -0.482 -16.322 1.00 0.00 H new ATOM 0 HB THR A 4 -27.912 1.456 -14.739 1.00 0.00 H new ATOM 0 HG1 THR A 4 -29.740 0.726 -13.424 1.00 0.00 H new ATOM 0 HG21 THR A 4 -30.234 1.327 -15.582 1.00 0.00 H new ATOM 0 HG22 THR A 4 -29.030 0.977 -16.844 1.00 0.00 H new ATOM 0 HG23 THR A 4 -29.938 -0.354 -16.087 1.00 0.00 H new ATOM 35 N SER A 5 -25.018 -0.974 -14.544 1.00 0.00 N ATOM 36 CA SER A 5 -23.714 -0.687 -13.958 1.00 0.00 C ATOM 37 C SER A 5 -22.695 -0.347 -15.041 1.00 0.00 C ATOM 38 O SER A 5 -22.459 -1.135 -15.957 1.00 0.00 O ATOM 39 CB SER A 5 -23.227 -1.883 -13.138 1.00 0.00 C ATOM 40 OG SER A 5 -22.726 -1.467 -11.878 1.00 0.00 O ATOM 0 H SER A 5 -25.122 -1.926 -14.896 1.00 0.00 H new ATOM 0 HA SER A 5 -23.819 0.176 -13.301 1.00 0.00 H new ATOM 0 HB2 SER A 5 -24.047 -2.587 -12.993 1.00 0.00 H new ATOM 0 HB3 SER A 5 -22.447 -2.411 -13.687 1.00 0.00 H new ATOM 0 HG SER A 5 -22.423 -2.250 -11.372 1.00 0.00 H new ATOM 46 N ARG A 6 -22.090 0.832 -14.928 1.00 0.00 N ATOM 47 CA ARG A 6 -21.094 1.275 -15.895 1.00 0.00 C ATOM 48 C ARG A 6 -19.741 0.630 -15.617 1.00 0.00 C ATOM 49 O ARG A 6 -19.223 -0.127 -16.436 1.00 0.00 O ATOM 50 CB ARG A 6 -20.961 2.799 -15.862 1.00 0.00 C ATOM 51 CG ARG A 6 -20.669 3.415 -17.220 1.00 0.00 C ATOM 52 CD ARG A 6 -19.196 3.758 -17.372 1.00 0.00 C ATOM 53 NE ARG A 6 -18.908 4.379 -18.663 1.00 0.00 N ATOM 54 CZ ARG A 6 -19.197 5.646 -18.958 1.00 0.00 C ATOM 55 NH1 ARG A 6 -19.781 6.427 -18.057 1.00 0.00 N ATOM 56 NH2 ARG A 6 -18.902 6.131 -20.155 1.00 0.00 N ATOM 0 H ARG A 6 -22.273 1.497 -14.176 1.00 0.00 H new ATOM 0 HA ARG A 6 -21.427 0.968 -16.887 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -21.883 3.227 -15.469 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -20.164 3.071 -15.170 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -20.965 2.721 -18.007 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -21.268 4.316 -17.348 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -18.897 4.433 -16.570 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -18.600 2.852 -17.265 1.00 0.00 H new ATOM 0 HE ARG A 6 -18.459 3.809 -19.380 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -20.010 6.058 -17.134 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -20.000 7.396 -18.288 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -18.454 5.535 -20.851 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -19.123 7.101 -20.381 1.00 0.00 H new ATOM 70 N LEU A 7 -19.177 0.934 -14.452 1.00 0.00 N ATOM 71 CA LEU A 7 -17.884 0.382 -14.062 1.00 0.00 C ATOM 72 C LEU A 7 -17.522 0.795 -12.638 1.00 0.00 C ATOM 73 O LEU A 7 -16.712 1.699 -12.429 1.00 0.00 O ATOM 74 CB LEU A 7 -16.795 0.839 -15.038 1.00 0.00 C ATOM 75 CG LEU A 7 -16.243 -0.256 -15.952 1.00 0.00 C ATOM 76 CD1 LEU A 7 -15.220 0.319 -16.918 1.00 0.00 C ATOM 77 CD2 LEU A 7 -15.630 -1.378 -15.127 1.00 0.00 C ATOM 0 H LEU A 7 -19.594 1.559 -13.762 1.00 0.00 H new ATOM 0 HA LEU A 7 -17.955 -0.705 -14.095 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -17.197 1.640 -15.658 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -15.970 1.263 -14.465 1.00 0.00 H new ATOM 0 HG LEU A 7 -17.068 -0.668 -16.534 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -14.839 -0.475 -17.560 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -15.691 1.087 -17.532 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -14.396 0.758 -16.356 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -15.242 -2.149 -15.793 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -14.817 -0.980 -14.519 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -16.391 -1.809 -14.477 1.00 0.00 H new ATOM 89 N ASP A 8 -18.129 0.127 -11.663 1.00 0.00 N ATOM 90 CA ASP A 8 -17.870 0.423 -10.258 1.00 0.00 C ATOM 91 C ASP A 8 -16.563 -0.215 -9.803 1.00 0.00 C ATOM 92 O ASP A 8 -16.400 -1.434 -9.869 1.00 0.00 O ATOM 93 CB ASP A 8 -19.026 -0.073 -9.388 1.00 0.00 C ATOM 94 CG ASP A 8 -19.332 0.872 -8.242 1.00 0.00 C ATOM 95 OD1 ASP A 8 -18.555 0.891 -7.265 1.00 0.00 O ATOM 96 OD2 ASP A 8 -20.351 1.591 -8.321 1.00 0.00 O ATOM 0 H ASP A 8 -18.803 -0.622 -11.819 1.00 0.00 H new ATOM 0 HA ASP A 8 -17.784 1.504 -10.149 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -19.917 -0.192 -10.005 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -18.781 -1.057 -8.989 1.00 0.00 H new ATOM 101 N ALA A 9 -15.633 0.613 -9.341 1.00 0.00 N ATOM 102 CA ALA A 9 -14.340 0.126 -8.878 1.00 0.00 C ATOM 103 C ALA A 9 -13.590 -0.585 -10.000 1.00 0.00 C ATOM 104 O ALA A 9 -13.978 -0.506 -11.165 1.00 0.00 O ATOM 105 CB ALA A 9 -14.522 -0.804 -7.688 1.00 0.00 C ATOM 0 H ALA A 9 -15.751 1.624 -9.277 1.00 0.00 H new ATOM 0 HA ALA A 9 -13.745 0.984 -8.565 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -13.548 -1.160 -7.352 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -15.011 -0.265 -6.876 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -15.138 -1.654 -7.981 1.00 0.00 H new ATOM 111 N LEU A 10 -12.518 -1.282 -9.639 1.00 0.00 N ATOM 112 CA LEU A 10 -11.714 -2.009 -10.614 1.00 0.00 C ATOM 113 C LEU A 10 -10.755 -2.973 -9.918 1.00 0.00 C ATOM 114 O LEU A 10 -10.874 -4.190 -10.065 1.00 0.00 O ATOM 115 CB LEU A 10 -10.932 -1.033 -11.499 1.00 0.00 C ATOM 116 CG LEU A 10 -11.530 -0.784 -12.885 1.00 0.00 C ATOM 117 CD1 LEU A 10 -10.607 0.097 -13.713 1.00 0.00 C ATOM 118 CD2 LEU A 10 -11.791 -2.103 -13.599 1.00 0.00 C ATOM 0 H LEU A 10 -12.186 -1.359 -8.678 1.00 0.00 H new ATOM 0 HA LEU A 10 -12.389 -2.589 -11.243 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -10.854 -0.079 -10.978 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -9.918 -1.413 -11.622 1.00 0.00 H new ATOM 0 HG LEU A 10 -12.481 -0.266 -12.761 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -11.048 0.264 -14.696 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -10.470 1.054 -13.210 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -9.641 -0.395 -13.828 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -12.216 -1.906 -14.583 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -10.854 -2.648 -13.711 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -12.490 -2.701 -13.015 1.00 0.00 H new ATOM 130 N PRO A 11 -9.790 -2.445 -9.142 1.00 0.00 N ATOM 131 CA PRO A 11 -8.816 -3.272 -8.424 1.00 0.00 C ATOM 132 C PRO A 11 -9.486 -4.256 -7.471 1.00 0.00 C ATOM 133 O PRO A 11 -10.702 -4.448 -7.514 1.00 0.00 O ATOM 134 CB PRO A 11 -7.974 -2.257 -7.640 1.00 0.00 C ATOM 135 CG PRO A 11 -8.781 -1.004 -7.626 1.00 0.00 C ATOM 136 CD PRO A 11 -9.570 -1.010 -8.902 1.00 0.00 C ATOM 0 HA PRO A 11 -8.229 -3.886 -9.107 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -7.776 -2.609 -6.627 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -7.007 -2.097 -8.116 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -9.441 -0.974 -6.759 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -8.138 -0.126 -7.568 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -10.510 -0.468 -8.799 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -9.021 -0.543 -9.719 1.00 0.00 H new ATOM 144 N ARG A 12 -8.685 -4.876 -6.612 1.00 0.00 N ATOM 145 CA ARG A 12 -9.197 -5.841 -5.647 1.00 0.00 C ATOM 146 C ARG A 12 -8.572 -5.618 -4.275 1.00 0.00 C ATOM 147 O ARG A 12 -7.786 -4.690 -4.083 1.00 0.00 O ATOM 148 CB ARG A 12 -8.918 -7.268 -6.123 1.00 0.00 C ATOM 149 CG ARG A 12 -7.482 -7.487 -6.576 1.00 0.00 C ATOM 150 CD ARG A 12 -7.277 -7.042 -8.015 1.00 0.00 C ATOM 151 NE ARG A 12 -6.097 -7.657 -8.615 1.00 0.00 N ATOM 152 CZ ARG A 12 -4.847 -7.333 -8.291 1.00 0.00 C ATOM 153 NH1 ARG A 12 -4.611 -6.404 -7.373 1.00 0.00 N ATOM 154 NH2 ARG A 12 -3.830 -7.940 -8.888 1.00 0.00 N ATOM 0 H ARG A 12 -7.677 -4.727 -6.564 1.00 0.00 H new ATOM 0 HA ARG A 12 -10.275 -5.699 -5.564 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -9.146 -7.963 -5.315 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -9.591 -7.506 -6.947 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -6.806 -6.935 -5.924 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -7.226 -8.542 -6.481 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -8.158 -7.299 -8.603 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -7.177 -5.957 -8.048 1.00 0.00 H new ATOM 0 HE ARG A 12 -6.238 -8.377 -9.324 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -5.390 -5.934 -6.911 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -3.651 -6.160 -7.129 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -4.006 -8.654 -9.595 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -2.872 -7.693 -8.641 1.00 0.00 H new ATOM 168 N VAL A 13 -8.926 -6.472 -3.322 1.00 0.00 N ATOM 169 CA VAL A 13 -8.399 -6.366 -1.968 1.00 0.00 C ATOM 170 C VAL A 13 -7.907 -7.718 -1.456 1.00 0.00 C ATOM 171 O VAL A 13 -7.834 -7.947 -0.249 1.00 0.00 O ATOM 172 CB VAL A 13 -9.460 -5.807 -0.998 1.00 0.00 C ATOM 173 CG1 VAL A 13 -10.635 -6.767 -0.870 1.00 0.00 C ATOM 174 CG2 VAL A 13 -8.846 -5.518 0.364 1.00 0.00 C ATOM 0 H VAL A 13 -9.576 -7.245 -3.462 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.556 -5.676 -2.008 1.00 0.00 H new ATOM 0 HB VAL A 13 -9.834 -4.868 -1.407 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -11.371 -6.352 -0.181 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -11.095 -6.912 -1.848 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -10.282 -7.726 -0.490 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -9.612 -5.125 1.032 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -8.438 -6.438 0.782 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -8.048 -4.784 0.255 1.00 0.00 H new ATOM 184 N THR A 14 -7.572 -8.614 -2.381 1.00 0.00 N ATOM 185 CA THR A 14 -7.088 -9.941 -2.017 1.00 0.00 C ATOM 186 C THR A 14 -6.453 -10.639 -3.217 1.00 0.00 C ATOM 187 O THR A 14 -6.559 -10.172 -4.350 1.00 0.00 O ATOM 188 CB THR A 14 -8.234 -10.795 -1.463 1.00 0.00 C ATOM 189 OG1 THR A 14 -9.485 -10.161 -1.670 1.00 0.00 O ATOM 190 CG2 THR A 14 -8.101 -11.083 0.018 1.00 0.00 C ATOM 0 H THR A 14 -7.627 -8.445 -3.385 1.00 0.00 H new ATOM 0 HA THR A 14 -6.328 -9.821 -1.245 1.00 0.00 H new ATOM 0 HB THR A 14 -8.180 -11.738 -2.008 1.00 0.00 H new ATOM 0 HG1 THR A 14 -10.201 -10.725 -1.310 1.00 0.00 H new ATOM 0 HG21 THR A 14 -8.943 -11.691 0.347 1.00 0.00 H new ATOM 0 HG22 THR A 14 -7.171 -11.621 0.202 1.00 0.00 H new ATOM 0 HG23 THR A 14 -8.093 -10.144 0.572 1.00 0.00 H new ATOM 198 N CYS A 15 -5.798 -11.765 -2.953 1.00 0.00 N ATOM 199 CA CYS A 15 -5.147 -12.540 -4.004 1.00 0.00 C ATOM 200 C CYS A 15 -6.185 -13.250 -4.871 1.00 0.00 C ATOM 201 O CYS A 15 -7.138 -13.834 -4.354 1.00 0.00 O ATOM 202 CB CYS A 15 -4.200 -13.569 -3.382 1.00 0.00 C ATOM 203 SG CYS A 15 -3.165 -14.449 -4.575 1.00 0.00 S ATOM 0 H CYS A 15 -5.704 -12.162 -2.018 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.576 -11.858 -4.634 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -3.555 -13.063 -2.663 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -4.789 -14.297 -2.824 1.00 0.00 H new ATOM 0 HG CYS A 15 -3.093 -15.704 -4.244 1.00 0.00 H new ATOM 209 N PRO A 16 -6.017 -13.216 -6.206 1.00 0.00 N ATOM 210 CA PRO A 16 -6.950 -13.867 -7.131 1.00 0.00 C ATOM 211 C PRO A 16 -6.967 -15.385 -6.968 1.00 0.00 C ATOM 212 O PRO A 16 -7.919 -16.051 -7.372 1.00 0.00 O ATOM 213 CB PRO A 16 -6.417 -13.481 -8.515 1.00 0.00 C ATOM 214 CG PRO A 16 -4.982 -13.153 -8.292 1.00 0.00 C ATOM 215 CD PRO A 16 -4.912 -12.549 -6.917 1.00 0.00 C ATOM 0 HA PRO A 16 -7.979 -13.552 -6.956 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -6.530 -14.300 -9.225 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -6.959 -12.628 -8.924 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -4.361 -14.046 -8.359 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -4.618 -12.454 -9.046 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.951 -12.741 -6.440 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -5.044 -11.467 -6.944 1.00 0.00 H new ATOM 223 N ASN A 17 -5.905 -15.924 -6.374 1.00 0.00 N ATOM 224 CA ASN A 17 -5.797 -17.363 -6.156 1.00 0.00 C ATOM 225 C ASN A 17 -5.801 -17.699 -4.665 1.00 0.00 C ATOM 226 O ASN A 17 -5.948 -18.860 -4.284 1.00 0.00 O ATOM 227 CB ASN A 17 -4.524 -17.904 -6.811 1.00 0.00 C ATOM 228 CG ASN A 17 -4.799 -18.571 -8.146 1.00 0.00 C ATOM 229 OD1 ASN A 17 -4.422 -18.057 -9.199 1.00 0.00 O ATOM 230 ND2 ASN A 17 -5.459 -19.722 -8.107 1.00 0.00 N ATOM 0 H ASN A 17 -5.108 -15.386 -6.035 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.665 -17.837 -6.614 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -3.817 -17.087 -6.955 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -4.050 -18.621 -6.140 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -5.673 -20.217 -8.973 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -5.752 -20.112 -7.211 1.00 0.00 H new ATOM 237 N HIS A 18 -5.649 -16.679 -3.822 1.00 0.00 N ATOM 238 CA HIS A 18 -5.648 -16.877 -2.377 1.00 0.00 C ATOM 239 C HIS A 18 -6.601 -15.896 -1.701 1.00 0.00 C ATOM 240 O HIS A 18 -6.196 -14.809 -1.290 1.00 0.00 O ATOM 241 CB HIS A 18 -4.241 -16.705 -1.806 1.00 0.00 C ATOM 242 CG HIS A 18 -3.270 -17.769 -2.218 1.00 0.00 C ATOM 243 ND1 HIS A 18 -2.053 -17.484 -2.795 1.00 0.00 N ATOM 244 CD2 HIS A 18 -3.316 -19.115 -2.091 1.00 0.00 C ATOM 245 CE1 HIS A 18 -1.388 -18.605 -3.000 1.00 0.00 C ATOM 246 NE2 HIS A 18 -2.133 -19.611 -2.584 1.00 0.00 N ATOM 0 H HIS A 18 -5.525 -15.710 -4.116 1.00 0.00 H new ATOM 0 HA HIS A 18 -5.985 -17.894 -2.178 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -3.852 -15.735 -2.117 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -4.303 -16.689 -0.718 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -1.717 -16.550 -3.028 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -4.131 -19.692 -1.679 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -0.402 -18.685 -3.434 1.00 0.00 H new ATOM 255 N PRO A 19 -7.885 -16.265 -1.570 1.00 0.00 N ATOM 256 CA PRO A 19 -8.886 -15.405 -0.936 1.00 0.00 C ATOM 257 C PRO A 19 -8.517 -15.075 0.504 1.00 0.00 C ATOM 258 O PRO A 19 -8.757 -13.966 0.981 1.00 0.00 O ATOM 259 CB PRO A 19 -10.176 -16.234 -0.989 1.00 0.00 C ATOM 260 CG PRO A 19 -9.735 -17.637 -1.234 1.00 0.00 C ATOM 261 CD PRO A 19 -8.459 -17.543 -2.020 1.00 0.00 C ATOM 0 HA PRO A 19 -8.976 -14.443 -1.441 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -10.733 -16.155 -0.055 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -10.835 -15.885 -1.784 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -9.575 -18.165 -0.294 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -10.493 -18.193 -1.787 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.793 -18.380 -1.810 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.646 -17.546 -3.094 1.00 0.00 H new ATOM 269 N ASP A 20 -7.934 -16.050 1.193 1.00 0.00 N ATOM 270 CA ASP A 20 -7.532 -15.869 2.581 1.00 0.00 C ATOM 271 C ASP A 20 -6.241 -15.057 2.682 1.00 0.00 C ATOM 272 O ASP A 20 -6.045 -14.305 3.635 1.00 0.00 O ATOM 273 CB ASP A 20 -7.350 -17.229 3.259 1.00 0.00 C ATOM 274 CG ASP A 20 -8.250 -17.399 4.467 1.00 0.00 C ATOM 275 OD1 ASP A 20 -9.364 -16.833 4.461 1.00 0.00 O ATOM 276 OD2 ASP A 20 -7.842 -18.097 5.419 1.00 0.00 O ATOM 0 H ASP A 20 -7.730 -16.974 0.812 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.321 -15.316 3.091 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -7.559 -18.021 2.540 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.310 -17.343 3.565 1.00 0.00 H new ATOM 281 N ALA A 21 -5.362 -15.219 1.697 1.00 0.00 N ATOM 282 CA ALA A 21 -4.091 -14.502 1.683 1.00 0.00 C ATOM 283 C ALA A 21 -4.281 -13.045 1.273 1.00 0.00 C ATOM 284 O ALA A 21 -4.212 -12.702 0.091 1.00 0.00 O ATOM 285 CB ALA A 21 -3.108 -15.193 0.760 1.00 0.00 C ATOM 0 H ALA A 21 -5.506 -15.839 0.900 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.687 -14.511 2.695 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.164 -14.647 0.759 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.938 -16.212 1.107 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.514 -15.217 -0.251 1.00 0.00 H new ATOM 291 N ILE A 22 -4.548 -12.212 2.268 1.00 0.00 N ATOM 292 CA ILE A 22 -4.785 -10.789 2.049 1.00 0.00 C ATOM 293 C ILE A 22 -3.501 -10.014 1.741 1.00 0.00 C ATOM 294 O ILE A 22 -3.031 -9.233 2.567 1.00 0.00 O ATOM 295 CB ILE A 22 -5.484 -10.138 3.259 1.00 0.00 C ATOM 296 CG1 ILE A 22 -6.615 -11.031 3.775 1.00 0.00 C ATOM 297 CG2 ILE A 22 -6.019 -8.769 2.875 1.00 0.00 C ATOM 298 CD1 ILE A 22 -7.378 -10.430 4.936 1.00 0.00 C ATOM 0 H ILE A 22 -4.607 -12.499 3.245 1.00 0.00 H new ATOM 0 HA ILE A 22 -5.436 -10.733 1.177 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.755 -10.018 4.060 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.310 -11.232 2.959 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.198 -11.990 4.082 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.511 -8.316 3.736 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.194 -8.133 2.553 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.736 -8.874 2.061 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -8.164 -11.117 5.250 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.696 -10.255 5.768 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.824 -9.485 4.628 1.00 0.00 H new ATOM 310 N LEU A 23 -2.952 -10.243 0.535 1.00 0.00 N ATOM 311 CA LEU A 23 -1.724 -9.567 0.083 1.00 0.00 C ATOM 312 C LEU A 23 -1.374 -8.410 1.001 1.00 0.00 C ATOM 313 O LEU A 23 -2.047 -7.384 1.013 1.00 0.00 O ATOM 314 CB LEU A 23 -1.876 -9.043 -1.348 1.00 0.00 C ATOM 315 CG LEU A 23 -1.409 -9.993 -2.448 1.00 0.00 C ATOM 316 CD1 LEU A 23 -2.590 -10.794 -2.975 1.00 0.00 C ATOM 317 CD2 LEU A 23 -0.729 -9.218 -3.572 1.00 0.00 C ATOM 0 H LEU A 23 -3.342 -10.894 -0.146 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.922 -10.304 0.109 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.926 -8.804 -1.519 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.318 -8.111 -1.436 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.678 -10.686 -2.031 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.250 -11.470 -3.760 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.029 -11.373 -2.162 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.339 -10.114 -3.381 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.403 -9.912 -4.347 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.432 -8.503 -3.998 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.135 -8.685 -3.175 1.00 0.00 H new ATOM 329 N VAL A 24 -0.345 -8.588 1.791 1.00 0.00 N ATOM 330 CA VAL A 24 0.059 -7.567 2.733 1.00 0.00 C ATOM 331 C VAL A 24 0.822 -6.447 2.044 1.00 0.00 C ATOM 332 O VAL A 24 1.264 -6.585 0.906 1.00 0.00 O ATOM 333 CB VAL A 24 0.883 -8.181 3.866 1.00 0.00 C ATOM 334 CG1 VAL A 24 0.949 -7.240 5.059 1.00 0.00 C ATOM 335 CG2 VAL A 24 0.274 -9.523 4.253 1.00 0.00 C ATOM 0 H VAL A 24 0.231 -9.430 1.803 1.00 0.00 H new ATOM 0 HA VAL A 24 -0.842 -7.129 3.163 1.00 0.00 H new ATOM 0 HB VAL A 24 1.906 -8.340 3.526 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.540 -7.698 5.852 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.413 -6.301 4.757 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.059 -7.045 5.425 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.856 -9.967 5.060 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.753 -9.374 4.586 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.283 -10.189 3.390 1.00 0.00 H new ATOM 345 N GLU A 25 0.950 -5.334 2.744 1.00 0.00 N ATOM 346 CA GLU A 25 1.624 -4.181 2.226 1.00 0.00 C ATOM 347 C GLU A 25 3.111 -4.379 2.316 1.00 0.00 C ATOM 348 O GLU A 25 3.657 -4.701 3.371 1.00 0.00 O ATOM 349 CB GLU A 25 1.196 -2.919 2.975 1.00 0.00 C ATOM 350 CG GLU A 25 0.341 -1.981 2.139 1.00 0.00 C ATOM 351 CD GLU A 25 1.014 -1.580 0.840 1.00 0.00 C ATOM 352 OE1 GLU A 25 2.098 -0.966 0.899 1.00 0.00 O ATOM 353 OE2 GLU A 25 0.456 -1.882 -0.236 1.00 0.00 O ATOM 0 H GLU A 25 0.585 -5.215 3.689 1.00 0.00 H new ATOM 0 HA GLU A 25 1.349 -4.053 1.179 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.640 -3.206 3.868 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.085 -2.386 3.311 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.611 -2.464 1.917 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.117 -1.086 2.719 1.00 0.00 H new ATOM 360 N ASP A 26 3.743 -4.177 1.188 1.00 0.00 N ATOM 361 CA ASP A 26 5.171 -4.304 1.048 1.00 0.00 C ATOM 362 C ASP A 26 5.601 -5.722 0.667 1.00 0.00 C ATOM 363 O ASP A 26 4.783 -6.543 0.254 1.00 0.00 O ATOM 364 CB ASP A 26 5.902 -3.832 2.299 1.00 0.00 C ATOM 365 CG ASP A 26 7.123 -2.993 1.974 1.00 0.00 C ATOM 366 OD1 ASP A 26 8.061 -3.527 1.348 1.00 0.00 O ATOM 367 OD2 ASP A 26 7.140 -1.802 2.349 1.00 0.00 O ATOM 0 H ASP A 26 3.269 -3.914 0.324 1.00 0.00 H new ATOM 0 HA ASP A 26 5.455 -3.651 0.223 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.219 -3.250 2.918 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.206 -4.698 2.887 1.00 0.00 H new ATOM 372 N TYR A 27 6.898 -5.992 0.811 1.00 0.00 N ATOM 373 CA TYR A 27 7.490 -7.292 0.490 1.00 0.00 C ATOM 374 C TYR A 27 8.991 -7.139 0.391 1.00 0.00 C ATOM 375 O TYR A 27 9.547 -7.108 -0.708 1.00 0.00 O ATOM 376 CB TYR A 27 6.980 -7.843 -0.839 1.00 0.00 C ATOM 377 CG TYR A 27 7.741 -9.065 -1.314 1.00 0.00 C ATOM 378 CD1 TYR A 27 7.954 -10.145 -0.469 1.00 0.00 C ATOM 379 CD2 TYR A 27 8.254 -9.129 -2.602 1.00 0.00 C ATOM 380 CE1 TYR A 27 8.652 -11.260 -0.894 1.00 0.00 C ATOM 381 CE2 TYR A 27 8.955 -10.240 -3.036 1.00 0.00 C ATOM 382 CZ TYR A 27 9.150 -11.302 -2.179 1.00 0.00 C ATOM 383 OH TYR A 27 9.847 -12.409 -2.608 1.00 0.00 O ATOM 0 H TYR A 27 7.573 -5.310 1.156 1.00 0.00 H new ATOM 0 HA TYR A 27 7.209 -7.986 1.282 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.925 -8.097 -0.738 1.00 0.00 H new ATOM 0 HB3 TYR A 27 7.049 -7.063 -1.598 1.00 0.00 H new ATOM 0 HD1 TYR A 27 7.567 -10.114 0.539 1.00 0.00 H new ATOM 0 HD2 TYR A 27 8.104 -8.299 -3.276 1.00 0.00 H new ATOM 0 HE1 TYR A 27 8.806 -12.093 -0.224 1.00 0.00 H new ATOM 0 HE2 TYR A 27 9.348 -10.275 -4.041 1.00 0.00 H new ATOM 0 HH TYR A 27 10.128 -12.279 -3.538 1.00 0.00 H new ATOM 393 N ARG A 28 9.655 -7.011 1.533 1.00 0.00 N ATOM 394 CA ARG A 28 11.095 -6.828 1.527 1.00 0.00 C ATOM 395 C ARG A 28 11.431 -5.566 0.744 1.00 0.00 C ATOM 396 O ARG A 28 12.367 -5.540 -0.054 1.00 0.00 O ATOM 397 CB ARG A 28 11.774 -8.043 0.889 1.00 0.00 C ATOM 398 CG ARG A 28 11.799 -9.268 1.790 1.00 0.00 C ATOM 399 CD ARG A 28 12.457 -8.965 3.126 1.00 0.00 C ATOM 400 NE ARG A 28 11.501 -8.453 4.103 1.00 0.00 N ATOM 401 CZ ARG A 28 11.809 -8.177 5.368 1.00 0.00 C ATOM 402 NH1 ARG A 28 13.046 -8.363 5.813 1.00 0.00 N ATOM 403 NH2 ARG A 28 10.879 -7.711 6.189 1.00 0.00 N ATOM 0 H ARG A 28 9.226 -7.030 2.458 1.00 0.00 H new ATOM 0 HA ARG A 28 11.457 -6.728 2.550 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.256 -8.294 -0.037 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.797 -7.778 0.621 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.781 -9.619 1.956 1.00 0.00 H new ATOM 0 HG3 ARG A 28 12.337 -10.075 1.293 1.00 0.00 H new ATOM 0 HD2 ARG A 28 12.922 -9.871 3.515 1.00 0.00 H new ATOM 0 HD3 ARG A 28 13.253 -8.235 2.981 1.00 0.00 H new ATOM 0 HE ARG A 28 10.540 -8.298 3.798 1.00 0.00 H new ATOM 0 HH11 ARG A 28 13.766 -8.719 5.184 1.00 0.00 H new ATOM 0 HH12 ARG A 28 13.276 -8.150 6.783 1.00 0.00 H new ATOM 0 HH21 ARG A 28 9.928 -7.564 5.851 1.00 0.00 H new ATOM 0 HH22 ARG A 28 11.114 -7.499 7.159 1.00 0.00 H new ATOM 417 N ALA A 29 10.620 -4.529 0.964 1.00 0.00 N ATOM 418 CA ALA A 29 10.768 -3.250 0.274 1.00 0.00 C ATOM 419 C ALA A 29 10.062 -3.307 -1.077 1.00 0.00 C ATOM 420 O ALA A 29 10.584 -2.831 -2.084 1.00 0.00 O ATOM 421 CB ALA A 29 12.237 -2.884 0.097 1.00 0.00 C ATOM 0 H ALA A 29 9.844 -4.554 1.625 1.00 0.00 H new ATOM 0 HA ALA A 29 10.307 -2.474 0.885 1.00 0.00 H new ATOM 0 HB1 ALA A 29 12.314 -1.927 -0.420 1.00 0.00 H new ATOM 0 HB2 ALA A 29 12.713 -2.808 1.074 1.00 0.00 H new ATOM 0 HB3 ALA A 29 12.736 -3.655 -0.491 1.00 0.00 H new ATOM 427 N GLY A 30 8.874 -3.911 -1.086 1.00 0.00 N ATOM 428 CA GLY A 30 8.116 -4.042 -2.317 1.00 0.00 C ATOM 429 C GLY A 30 6.689 -3.528 -2.208 1.00 0.00 C ATOM 430 O GLY A 30 6.392 -2.650 -1.399 1.00 0.00 O ATOM 0 H GLY A 30 8.425 -4.311 -0.262 1.00 0.00 H new ATOM 0 HA2 GLY A 30 8.630 -3.499 -3.110 1.00 0.00 H new ATOM 0 HA3 GLY A 30 8.094 -5.091 -2.611 1.00 0.00 H new ATOM 434 N ASP A 31 5.814 -4.079 -3.047 1.00 0.00 N ATOM 435 CA ASP A 31 4.403 -3.690 -3.082 1.00 0.00 C ATOM 436 C ASP A 31 3.537 -4.625 -2.225 1.00 0.00 C ATOM 437 O ASP A 31 3.785 -4.758 -1.042 1.00 0.00 O ATOM 438 CB ASP A 31 3.931 -3.555 -4.543 1.00 0.00 C ATOM 439 CG ASP A 31 4.622 -4.518 -5.490 1.00 0.00 C ATOM 440 OD1 ASP A 31 5.864 -4.447 -5.602 1.00 0.00 O ATOM 441 OD2 ASP A 31 3.926 -5.335 -6.123 1.00 0.00 O ATOM 0 H ASP A 31 6.060 -4.805 -3.720 1.00 0.00 H new ATOM 0 HA ASP A 31 4.286 -2.707 -2.625 1.00 0.00 H new ATOM 0 HB2 ASP A 31 2.855 -3.723 -4.587 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.108 -2.534 -4.882 1.00 0.00 H new ATOM 446 N MET A 32 2.508 -5.239 -2.791 1.00 0.00 N ATOM 447 CA MET A 32 1.617 -6.097 -2.022 1.00 0.00 C ATOM 448 C MET A 32 2.001 -7.568 -2.128 1.00 0.00 C ATOM 449 O MET A 32 2.002 -8.152 -3.200 1.00 0.00 O ATOM 450 CB MET A 32 0.220 -5.877 -2.536 1.00 0.00 C ATOM 451 CG MET A 32 -0.377 -4.550 -2.099 1.00 0.00 C ATOM 452 SD MET A 32 -2.161 -4.477 -2.351 1.00 0.00 S ATOM 453 CE MET A 32 -2.752 -4.784 -0.689 1.00 0.00 C ATOM 0 H MET A 32 2.269 -5.159 -3.779 1.00 0.00 H new ATOM 0 HA MET A 32 1.690 -5.838 -0.966 1.00 0.00 H new ATOM 0 HB2 MET A 32 0.229 -5.923 -3.625 1.00 0.00 H new ATOM 0 HB3 MET A 32 -0.420 -6.688 -2.188 1.00 0.00 H new ATOM 0 HG2 MET A 32 -0.156 -4.386 -1.044 1.00 0.00 H new ATOM 0 HG3 MET A 32 0.098 -3.741 -2.654 1.00 0.00 H new ATOM 0 HE1 MET A 32 -3.480 -5.595 -0.706 1.00 0.00 H new ATOM 0 HE2 MET A 32 -1.914 -5.062 -0.050 1.00 0.00 H new ATOM 0 HE3 MET A 32 -3.222 -3.882 -0.298 1.00 0.00 H new ATOM 463 N ILE A 33 2.379 -8.136 -1.006 1.00 0.00 N ATOM 464 CA ILE A 33 2.837 -9.509 -0.940 1.00 0.00 C ATOM 465 C ILE A 33 1.771 -10.461 -0.415 1.00 0.00 C ATOM 466 O ILE A 33 1.265 -10.295 0.694 1.00 0.00 O ATOM 467 CB ILE A 33 4.087 -9.520 -0.028 1.00 0.00 C ATOM 468 CG1 ILE A 33 5.016 -10.690 -0.313 1.00 0.00 C ATOM 469 CG2 ILE A 33 3.682 -9.506 1.434 1.00 0.00 C ATOM 470 CD1 ILE A 33 4.312 -12.010 -0.367 1.00 0.00 C ATOM 0 H ILE A 33 2.378 -7.657 -0.106 1.00 0.00 H new ATOM 0 HA ILE A 33 3.072 -9.865 -1.943 1.00 0.00 H new ATOM 0 HB ILE A 33 4.646 -8.612 -0.253 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.523 -10.518 -1.262 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.786 -10.729 0.458 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.575 -9.514 2.059 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.101 -8.607 1.642 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.078 -10.387 1.653 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.034 -12.799 -0.574 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.827 -12.203 0.590 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.561 -11.990 -1.157 1.00 0.00 H new ATOM 482 N CYS A 34 1.457 -11.484 -1.208 1.00 0.00 N ATOM 483 CA CYS A 34 0.488 -12.480 -0.797 1.00 0.00 C ATOM 484 C CYS A 34 1.209 -13.565 -0.013 1.00 0.00 C ATOM 485 O CYS A 34 1.770 -14.471 -0.609 1.00 0.00 O ATOM 486 CB CYS A 34 -0.194 -13.100 -2.014 1.00 0.00 C ATOM 487 SG CYS A 34 -1.301 -14.471 -1.629 1.00 0.00 S ATOM 0 H CYS A 34 1.860 -11.639 -2.132 1.00 0.00 H new ATOM 0 HA CYS A 34 -0.274 -12.007 -0.178 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.760 -12.326 -2.532 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.572 -13.451 -2.705 1.00 0.00 H new ATOM 0 HG CYS A 34 -2.079 -14.699 -2.645 1.00 0.00 H new ATOM 493 N PRO A 35 1.199 -13.499 1.328 1.00 0.00 N ATOM 494 CA PRO A 35 1.873 -14.478 2.190 1.00 0.00 C ATOM 495 C PRO A 35 1.731 -15.925 1.722 1.00 0.00 C ATOM 496 O PRO A 35 2.465 -16.801 2.178 1.00 0.00 O ATOM 497 CB PRO A 35 1.192 -14.286 3.558 1.00 0.00 C ATOM 498 CG PRO A 35 0.119 -13.265 3.343 1.00 0.00 C ATOM 499 CD PRO A 35 0.524 -12.482 2.130 1.00 0.00 C ATOM 0 HA PRO A 35 2.950 -14.309 2.196 1.00 0.00 H new ATOM 0 HB2 PRO A 35 0.771 -15.224 3.920 1.00 0.00 H new ATOM 0 HB3 PRO A 35 1.908 -13.948 4.307 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.849 -13.743 3.192 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.021 -12.614 4.212 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.336 -12.057 1.612 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.186 -11.653 2.381 1.00 0.00 H new ATOM 507 N GLU A 36 0.777 -16.183 0.844 1.00 0.00 N ATOM 508 CA GLU A 36 0.537 -17.528 0.360 1.00 0.00 C ATOM 509 C GLU A 36 1.402 -17.842 -0.854 1.00 0.00 C ATOM 510 O GLU A 36 2.305 -18.669 -0.781 1.00 0.00 O ATOM 511 CB GLU A 36 -0.944 -17.690 0.029 1.00 0.00 C ATOM 512 CG GLU A 36 -1.749 -18.331 1.145 1.00 0.00 C ATOM 513 CD GLU A 36 -1.301 -19.748 1.447 1.00 0.00 C ATOM 514 OE1 GLU A 36 -1.107 -20.523 0.489 1.00 0.00 O ATOM 515 OE2 GLU A 36 -1.146 -20.081 2.641 1.00 0.00 O ATOM 0 H GLU A 36 0.156 -15.476 0.452 1.00 0.00 H new ATOM 0 HA GLU A 36 0.810 -18.236 1.142 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.367 -16.711 -0.196 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.042 -18.295 -0.872 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.659 -17.725 2.047 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.804 -18.338 0.870 1.00 0.00 H new ATOM 522 N CYS A 37 1.173 -17.136 -1.951 1.00 0.00 N ATOM 523 CA CYS A 37 1.989 -17.327 -3.147 1.00 0.00 C ATOM 524 C CYS A 37 3.156 -16.368 -3.069 1.00 0.00 C ATOM 525 O CYS A 37 4.185 -16.544 -3.714 1.00 0.00 O ATOM 526 CB CYS A 37 1.190 -17.066 -4.428 1.00 0.00 C ATOM 527 SG CYS A 37 0.226 -15.537 -4.407 1.00 0.00 S ATOM 0 H CYS A 37 0.439 -16.433 -2.041 1.00 0.00 H new ATOM 0 HA CYS A 37 2.330 -18.361 -3.185 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.879 -17.035 -5.272 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.515 -17.905 -4.598 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.244 -15.337 -3.212 1.00 0.00 H new ATOM 533 N GLY A 38 2.950 -15.350 -2.251 1.00 0.00 N ATOM 534 CA GLY A 38 3.925 -14.326 -2.026 1.00 0.00 C ATOM 535 C GLY A 38 4.124 -13.443 -3.232 1.00 0.00 C ATOM 536 O GLY A 38 5.235 -13.003 -3.530 1.00 0.00 O ATOM 0 H GLY A 38 2.087 -15.220 -1.724 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.616 -13.714 -1.179 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.875 -14.787 -1.756 1.00 0.00 H new ATOM 540 N LEU A 39 3.025 -13.195 -3.918 1.00 0.00 N ATOM 541 CA LEU A 39 3.016 -12.367 -5.108 1.00 0.00 C ATOM 542 C LEU A 39 3.025 -10.901 -4.731 1.00 0.00 C ATOM 543 O LEU A 39 2.541 -10.527 -3.664 1.00 0.00 O ATOM 544 CB LEU A 39 1.765 -12.667 -5.926 1.00 0.00 C ATOM 545 CG LEU A 39 0.548 -11.817 -5.549 1.00 0.00 C ATOM 546 CD1 LEU A 39 0.335 -10.733 -6.576 1.00 0.00 C ATOM 547 CD2 LEU A 39 -0.697 -12.665 -5.398 1.00 0.00 C ATOM 0 H LEU A 39 2.109 -13.564 -3.664 1.00 0.00 H new ATOM 0 HA LEU A 39 3.907 -12.588 -5.696 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.989 -12.512 -6.981 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.510 -13.720 -5.806 1.00 0.00 H new ATOM 0 HG LEU A 39 0.745 -11.354 -4.582 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.533 -10.134 -6.299 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.217 -10.095 -6.620 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.166 -11.186 -7.553 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.540 -12.029 -5.130 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.909 -13.171 -6.340 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.539 -13.407 -4.615 1.00 0.00 H new ATOM 559 N VAL A 40 3.603 -10.084 -5.588 1.00 0.00 N ATOM 560 CA VAL A 40 3.703 -8.672 -5.315 1.00 0.00 C ATOM 561 C VAL A 40 2.995 -7.829 -6.359 1.00 0.00 C ATOM 562 O VAL A 40 3.321 -7.874 -7.545 1.00 0.00 O ATOM 563 CB VAL A 40 5.174 -8.264 -5.208 1.00 0.00 C ATOM 564 CG1 VAL A 40 5.332 -7.091 -4.256 1.00 0.00 C ATOM 565 CG2 VAL A 40 5.996 -9.459 -4.748 1.00 0.00 C ATOM 0 H VAL A 40 4.009 -10.377 -6.477 1.00 0.00 H new ATOM 0 HA VAL A 40 3.203 -8.487 -4.365 1.00 0.00 H new ATOM 0 HB VAL A 40 5.535 -7.946 -6.186 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.384 -6.814 -4.192 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.755 -6.243 -4.625 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.970 -7.373 -3.267 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.045 -9.171 -4.671 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.639 -9.793 -3.774 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.894 -10.270 -5.469 1.00 0.00 H new ATOM 575 N VAL A 41 2.034 -7.041 -5.892 1.00 0.00 N ATOM 576 CA VAL A 41 1.277 -6.154 -6.757 1.00 0.00 C ATOM 577 C VAL A 41 1.344 -4.726 -6.227 1.00 0.00 C ATOM 578 O VAL A 41 1.115 -4.489 -5.043 1.00 0.00 O ATOM 579 CB VAL A 41 -0.209 -6.564 -6.850 1.00 0.00 C ATOM 580 CG1 VAL A 41 -0.982 -5.601 -7.741 1.00 0.00 C ATOM 581 CG2 VAL A 41 -0.355 -7.989 -7.348 1.00 0.00 C ATOM 0 H VAL A 41 1.761 -7.001 -4.910 1.00 0.00 H new ATOM 0 HA VAL A 41 1.723 -6.222 -7.749 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.631 -6.515 -5.846 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.026 -5.910 -7.791 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.921 -4.594 -7.328 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.553 -5.608 -8.743 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.412 -8.249 -7.403 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.092 -8.076 -8.338 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.150 -8.668 -6.661 1.00 0.00 H new ATOM 591 N GLY A 42 1.639 -3.776 -7.107 1.00 0.00 N ATOM 592 CA GLY A 42 1.710 -2.388 -6.694 1.00 0.00 C ATOM 593 C GLY A 42 2.957 -1.694 -7.202 1.00 0.00 C ATOM 594 O GLY A 42 3.898 -2.342 -7.655 1.00 0.00 O ATOM 0 H GLY A 42 1.830 -3.942 -8.095 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.830 -1.859 -7.058 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.686 -2.335 -5.606 1.00 0.00 H new ATOM 598 N ASP A 43 2.965 -0.370 -7.119 1.00 0.00 N ATOM 599 CA ASP A 43 4.109 0.414 -7.571 1.00 0.00 C ATOM 600 C ASP A 43 4.502 1.445 -6.518 1.00 0.00 C ATOM 601 O ASP A 43 5.529 1.311 -5.855 1.00 0.00 O ATOM 602 CB ASP A 43 3.786 1.109 -8.895 1.00 0.00 C ATOM 603 CG ASP A 43 4.871 0.905 -9.934 1.00 0.00 C ATOM 604 OD1 ASP A 43 4.821 -0.114 -10.652 1.00 0.00 O ATOM 605 OD2 ASP A 43 5.772 1.766 -10.028 1.00 0.00 O ATOM 0 H ASP A 43 2.195 0.183 -6.744 1.00 0.00 H new ATOM 0 HA ASP A 43 4.950 -0.262 -7.725 1.00 0.00 H new ATOM 0 HB2 ASP A 43 2.841 0.728 -9.281 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.651 2.176 -8.719 1.00 0.00 H new ATOM 610 N ARG A 44 3.672 2.474 -6.371 1.00 0.00 N ATOM 611 CA ARG A 44 3.923 3.535 -5.399 1.00 0.00 C ATOM 612 C ARG A 44 2.966 4.706 -5.611 1.00 0.00 C ATOM 613 O ARG A 44 2.053 4.927 -4.814 1.00 0.00 O ATOM 614 CB ARG A 44 5.373 4.023 -5.491 1.00 0.00 C ATOM 615 CG ARG A 44 6.178 3.775 -4.224 1.00 0.00 C ATOM 616 CD ARG A 44 6.474 5.067 -3.480 1.00 0.00 C ATOM 617 NE ARG A 44 5.434 5.390 -2.505 1.00 0.00 N ATOM 618 CZ ARG A 44 4.429 6.237 -2.734 1.00 0.00 C ATOM 619 NH1 ARG A 44 4.313 6.850 -3.905 1.00 0.00 N ATOM 620 NH2 ARG A 44 3.534 6.469 -1.782 1.00 0.00 N ATOM 0 H ARG A 44 2.817 2.596 -6.914 1.00 0.00 H new ATOM 0 HA ARG A 44 3.753 3.122 -4.405 1.00 0.00 H new ATOM 0 HB2 ARG A 44 5.863 3.524 -6.327 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.376 5.091 -5.711 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.628 3.098 -3.571 1.00 0.00 H new ATOM 0 HG3 ARG A 44 7.115 3.280 -4.480 1.00 0.00 H new ATOM 0 HD2 ARG A 44 7.434 4.980 -2.970 1.00 0.00 H new ATOM 0 HD3 ARG A 44 6.566 5.884 -4.196 1.00 0.00 H new ATOM 0 HE ARG A 44 5.480 4.939 -1.591 1.00 0.00 H new ATOM 0 HH11 ARG A 44 4.996 6.676 -4.642 1.00 0.00 H new ATOM 0 HH12 ARG A 44 3.540 7.495 -4.068 1.00 0.00 H new ATOM 0 HH21 ARG A 44 3.616 6.001 -0.880 1.00 0.00 H new ATOM 0 HH22 ARG A 44 2.764 7.116 -1.953 1.00 0.00 H new ATOM 634 N VAL A 45 3.184 5.452 -6.688 1.00 0.00 N ATOM 635 CA VAL A 45 2.344 6.603 -7.003 1.00 0.00 C ATOM 636 C VAL A 45 1.675 6.443 -8.365 1.00 0.00 C ATOM 637 O VAL A 45 2.347 6.393 -9.396 1.00 0.00 O ATOM 638 CB VAL A 45 3.158 7.913 -6.990 1.00 0.00 C ATOM 639 CG1 VAL A 45 4.257 7.873 -8.041 1.00 0.00 C ATOM 640 CG2 VAL A 45 2.246 9.112 -7.207 1.00 0.00 C ATOM 0 H VAL A 45 3.934 5.281 -7.358 1.00 0.00 H new ATOM 0 HA VAL A 45 1.576 6.654 -6.231 1.00 0.00 H new ATOM 0 HB VAL A 45 3.628 8.015 -6.012 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.819 8.806 -8.015 1.00 0.00 H new ATOM 0 HG12 VAL A 45 4.928 7.039 -7.834 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.812 7.745 -9.028 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.839 10.027 -7.195 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.744 9.018 -8.170 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.501 9.151 -6.412 1.00 0.00 H new ATOM 650 N ILE A 46 0.349 6.370 -8.360 1.00 0.00 N ATOM 651 CA ILE A 46 -0.412 6.225 -9.593 1.00 0.00 C ATOM 652 C ILE A 46 -0.412 7.542 -10.379 1.00 0.00 C ATOM 653 O ILE A 46 0.477 8.373 -10.191 1.00 0.00 O ATOM 654 CB ILE A 46 -1.861 5.755 -9.292 1.00 0.00 C ATOM 655 CG1 ILE A 46 -2.414 4.939 -10.465 1.00 0.00 C ATOM 656 CG2 ILE A 46 -2.775 6.932 -8.970 1.00 0.00 C ATOM 657 CD1 ILE A 46 -2.475 3.451 -10.188 1.00 0.00 C ATOM 0 H ILE A 46 -0.221 6.409 -7.515 1.00 0.00 H new ATOM 0 HA ILE A 46 0.066 5.462 -10.208 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.829 5.116 -8.410 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.415 5.297 -10.707 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.792 5.112 -11.343 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.781 6.566 -8.765 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.395 7.459 -8.095 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.804 7.614 -9.820 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.876 2.935 -11.060 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.473 3.079 -9.975 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.120 3.267 -9.329 1.00 0.00 H new ATOM 669 N ASP A 47 -1.398 7.735 -11.257 1.00 0.00 N ATOM 670 CA ASP A 47 -1.487 8.956 -12.055 1.00 0.00 C ATOM 671 C ASP A 47 -1.274 10.198 -11.191 1.00 0.00 C ATOM 672 O ASP A 47 -0.419 11.032 -11.488 1.00 0.00 O ATOM 673 CB ASP A 47 -2.845 9.034 -12.751 1.00 0.00 C ATOM 674 CG ASP A 47 -2.910 8.164 -13.991 1.00 0.00 C ATOM 675 OD1 ASP A 47 -2.240 8.502 -14.990 1.00 0.00 O ATOM 676 OD2 ASP A 47 -3.629 7.143 -13.963 1.00 0.00 O ATOM 0 H ASP A 47 -2.144 7.062 -11.432 1.00 0.00 H new ATOM 0 HA ASP A 47 -0.698 8.923 -12.807 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -3.625 8.728 -12.054 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -3.051 10.069 -13.025 1.00 0.00 H new ATOM 681 N VAL A 48 -2.058 10.308 -10.121 1.00 0.00 N ATOM 682 CA VAL A 48 -1.965 11.440 -9.199 1.00 0.00 C ATOM 683 C VAL A 48 -1.832 12.768 -9.946 1.00 0.00 C ATOM 684 O VAL A 48 -1.170 13.693 -9.475 1.00 0.00 O ATOM 685 CB VAL A 48 -0.776 11.281 -8.228 1.00 0.00 C ATOM 686 CG1 VAL A 48 0.552 11.364 -8.968 1.00 0.00 C ATOM 687 CG2 VAL A 48 -0.845 12.327 -7.126 1.00 0.00 C ATOM 0 H VAL A 48 -2.770 9.622 -9.869 1.00 0.00 H new ATOM 0 HA VAL A 48 -2.893 11.450 -8.627 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.842 10.293 -7.772 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.372 11.249 -8.259 1.00 0.00 H new ATOM 0 HG12 VAL A 48 0.603 10.571 -9.714 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.633 12.332 -9.462 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.001 12.200 -6.450 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.811 13.323 -7.567 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -1.775 12.208 -6.569 1.00 0.00 H new ATOM 697 N GLY A 49 -2.465 12.854 -11.111 1.00 0.00 N ATOM 698 CA GLY A 49 -2.403 14.070 -11.901 1.00 0.00 C ATOM 699 C GLY A 49 -3.771 14.671 -12.150 1.00 0.00 C ATOM 700 O GLY A 49 -4.787 13.982 -12.051 1.00 0.00 O ATOM 0 H GLY A 49 -3.020 12.104 -11.522 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.777 14.800 -11.389 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -1.925 13.855 -12.857 1.00 0.00 H new ATOM 704 N SER A 50 -3.801 15.961 -12.474 1.00 0.00 N ATOM 705 CA SER A 50 -5.056 16.654 -12.740 1.00 0.00 C ATOM 706 C SER A 50 -5.941 16.671 -11.493 1.00 0.00 C ATOM 707 O SER A 50 -5.455 16.494 -10.376 1.00 0.00 O ATOM 708 CB SER A 50 -5.790 15.987 -13.905 1.00 0.00 C ATOM 709 OG SER A 50 -6.353 16.954 -14.776 1.00 0.00 O ATOM 0 H SER A 50 -2.970 16.547 -12.558 1.00 0.00 H new ATOM 0 HA SER A 50 -4.829 17.685 -13.011 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.098 15.353 -14.459 1.00 0.00 H new ATOM 0 HB3 SER A 50 -6.577 15.339 -13.519 1.00 0.00 H new ATOM 0 HG SER A 50 -6.815 16.501 -15.513 1.00 0.00 H new ATOM 715 N GLU A 51 -7.240 16.886 -11.692 1.00 0.00 N ATOM 716 CA GLU A 51 -8.191 16.927 -10.583 1.00 0.00 C ATOM 717 C GLU A 51 -7.975 18.166 -9.720 1.00 0.00 C ATOM 718 O GLU A 51 -8.724 19.139 -9.817 1.00 0.00 O ATOM 719 CB GLU A 51 -8.075 15.660 -9.726 1.00 0.00 C ATOM 720 CG GLU A 51 -9.248 14.708 -9.890 1.00 0.00 C ATOM 721 CD GLU A 51 -9.942 14.402 -8.577 1.00 0.00 C ATOM 722 OE1 GLU A 51 -9.963 15.287 -7.697 1.00 0.00 O ATOM 723 OE2 GLU A 51 -10.462 13.276 -8.428 1.00 0.00 O ATOM 0 H GLU A 51 -7.658 17.034 -12.611 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.195 16.975 -11.006 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.154 15.138 -9.986 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.993 15.946 -8.677 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.968 15.141 -10.584 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.896 13.778 -10.335 1.00 0.00 H new ATOM 730 N TRP A 52 -6.947 18.127 -8.877 1.00 0.00 N ATOM 731 CA TRP A 52 -6.641 19.251 -7.999 1.00 0.00 C ATOM 732 C TRP A 52 -5.241 19.117 -7.407 1.00 0.00 C ATOM 733 O TRP A 52 -4.396 19.996 -7.582 1.00 0.00 O ATOM 734 CB TRP A 52 -7.677 19.344 -6.877 1.00 0.00 C ATOM 735 CG TRP A 52 -8.475 20.611 -6.908 1.00 0.00 C ATOM 736 CD1 TRP A 52 -8.003 21.882 -6.747 1.00 0.00 C ATOM 737 CD2 TRP A 52 -9.889 20.730 -7.113 1.00 0.00 C ATOM 738 NE1 TRP A 52 -9.037 22.783 -6.841 1.00 0.00 N ATOM 739 CE2 TRP A 52 -10.203 22.100 -7.064 1.00 0.00 C ATOM 740 CE3 TRP A 52 -10.917 19.809 -7.333 1.00 0.00 C ATOM 741 CZ2 TRP A 52 -11.504 22.572 -7.228 1.00 0.00 C ATOM 742 CZ3 TRP A 52 -12.207 20.278 -7.494 1.00 0.00 C ATOM 743 CH2 TRP A 52 -12.491 21.649 -7.441 1.00 0.00 C ATOM 0 H TRP A 52 -6.314 17.332 -8.784 1.00 0.00 H new ATOM 0 HA TRP A 52 -6.676 20.164 -8.594 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -8.356 18.494 -6.948 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -7.169 19.267 -5.916 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -6.969 22.141 -6.572 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -8.950 23.796 -6.758 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -10.707 18.750 -7.376 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -11.725 23.628 -7.188 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -13.010 19.576 -7.664 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -13.510 21.984 -7.571 1.00 0.00 H new ATOM 754 N ARG A 53 -5.003 18.015 -6.703 1.00 0.00 N ATOM 755 CA ARG A 53 -3.706 17.770 -6.083 1.00 0.00 C ATOM 756 C ARG A 53 -3.419 18.807 -5.002 1.00 0.00 C ATOM 757 O ARG A 53 -2.278 19.236 -4.826 1.00 0.00 O ATOM 758 CB ARG A 53 -2.596 17.789 -7.139 1.00 0.00 C ATOM 759 CG ARG A 53 -1.660 16.592 -7.059 1.00 0.00 C ATOM 760 CD ARG A 53 -1.042 16.457 -5.675 1.00 0.00 C ATOM 761 NE ARG A 53 -1.133 15.089 -5.168 1.00 0.00 N ATOM 762 CZ ARG A 53 -0.954 14.758 -3.892 1.00 0.00 C ATOM 763 NH1 ARG A 53 -0.680 15.691 -2.988 1.00 0.00 N ATOM 764 NH2 ARG A 53 -1.054 13.491 -3.516 1.00 0.00 N ATOM 0 H ARG A 53 -5.691 17.278 -6.548 1.00 0.00 H new ATOM 0 HA ARG A 53 -3.733 16.784 -5.618 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.049 17.820 -8.130 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.014 18.703 -7.026 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.209 15.683 -7.303 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -0.870 16.697 -7.803 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.004 16.761 -5.713 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -1.546 17.134 -4.985 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.346 14.344 -5.832 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -0.606 16.668 -3.270 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -0.544 15.430 -2.011 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -1.268 12.770 -4.205 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -0.917 13.237 -2.538 1.00 0.00 H new ATOM 778 N THR A 54 -4.461 19.207 -4.280 1.00 0.00 N ATOM 779 CA THR A 54 -4.323 20.195 -3.216 1.00 0.00 C ATOM 780 C THR A 54 -4.697 19.595 -1.865 1.00 0.00 C ATOM 781 O THR A 54 -5.367 18.565 -1.795 1.00 0.00 O ATOM 782 CB THR A 54 -5.202 21.414 -3.508 1.00 0.00 C ATOM 783 OG1 THR A 54 -6.301 21.054 -4.327 1.00 0.00 O ATOM 784 CG2 THR A 54 -4.459 22.533 -4.203 1.00 0.00 C ATOM 0 H THR A 54 -5.411 18.861 -4.413 1.00 0.00 H new ATOM 0 HA THR A 54 -3.280 20.508 -3.177 1.00 0.00 H new ATOM 0 HB THR A 54 -5.536 21.771 -2.534 1.00 0.00 H new ATOM 0 HG1 THR A 54 -6.519 21.798 -4.927 1.00 0.00 H new ATOM 0 HG21 THR A 54 -5.139 23.366 -4.381 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.633 22.867 -3.575 1.00 0.00 H new ATOM 0 HG23 THR A 54 -4.068 22.174 -5.155 1.00 0.00 H new ATOM 792 N PHE A 55 -4.257 20.246 -0.792 1.00 0.00 N ATOM 793 CA PHE A 55 -4.544 19.776 0.560 1.00 0.00 C ATOM 794 C PHE A 55 -5.218 20.867 1.387 1.00 0.00 C ATOM 795 O PHE A 55 -4.943 21.017 2.576 1.00 0.00 O ATOM 796 CB PHE A 55 -3.255 19.322 1.248 1.00 0.00 C ATOM 797 CG PHE A 55 -2.211 20.399 1.330 1.00 0.00 C ATOM 798 CD1 PHE A 55 -1.500 20.781 0.204 1.00 0.00 C ATOM 799 CD2 PHE A 55 -1.941 21.029 2.535 1.00 0.00 C ATOM 800 CE1 PHE A 55 -0.539 21.772 0.278 1.00 0.00 C ATOM 801 CE2 PHE A 55 -0.980 22.021 2.615 1.00 0.00 C ATOM 802 CZ PHE A 55 -0.278 22.391 1.484 1.00 0.00 C ATOM 0 H PHE A 55 -3.701 21.100 -0.832 1.00 0.00 H new ATOM 0 HA PHE A 55 -5.227 18.930 0.485 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.491 18.978 2.255 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -2.845 18.469 0.708 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -1.699 20.299 -0.742 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -2.487 20.742 3.421 1.00 0.00 H new ATOM 0 HE1 PHE A 55 0.007 22.062 -0.607 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -0.779 22.505 3.559 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.474 23.164 1.543 1.00 0.00 H new ATOM 812 N SER A 56 -6.103 21.626 0.747 1.00 0.00 N ATOM 813 CA SER A 56 -6.816 22.703 1.426 1.00 0.00 C ATOM 814 C SER A 56 -5.842 23.742 1.972 1.00 0.00 C ATOM 815 O SER A 56 -4.627 23.550 1.932 1.00 0.00 O ATOM 816 CB SER A 56 -7.669 22.139 2.563 1.00 0.00 C ATOM 817 OG SER A 56 -8.182 20.861 2.231 1.00 0.00 O ATOM 0 H SER A 56 -6.343 21.516 -0.238 1.00 0.00 H new ATOM 0 HA SER A 56 -7.467 23.189 0.699 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.070 22.069 3.471 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.492 22.821 2.776 1.00 0.00 H new ATOM 0 HG SER A 56 -8.722 20.522 2.975 1.00 0.00 H new ATOM 823 N ASN A 57 -6.386 24.843 2.483 1.00 0.00 N ATOM 824 CA ASN A 57 -5.566 25.913 3.038 1.00 0.00 C ATOM 825 C ASN A 57 -5.448 25.776 4.552 1.00 0.00 C ATOM 826 O ASN A 57 -6.162 24.989 5.173 1.00 0.00 O ATOM 827 CB ASN A 57 -6.162 27.277 2.680 1.00 0.00 C ATOM 828 CG ASN A 57 -5.104 28.270 2.233 1.00 0.00 C ATOM 829 OD1 ASN A 57 -3.973 27.894 1.931 1.00 0.00 O ATOM 830 ND2 ASN A 57 -5.473 29.545 2.191 1.00 0.00 N ATOM 0 H ASN A 57 -7.390 25.017 2.524 1.00 0.00 H new ATOM 0 HA ASN A 57 -4.568 25.836 2.606 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -6.898 27.152 1.886 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -6.691 27.678 3.545 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -4.806 30.260 1.899 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -6.423 29.810 2.451 1.00 0.00 H new ATOM 837 N ASP A 58 -4.541 26.550 5.142 1.00 0.00 N ATOM 838 CA ASP A 58 -4.331 26.514 6.586 1.00 0.00 C ATOM 839 C ASP A 58 -5.464 27.225 7.319 1.00 0.00 C ATOM 840 O ASP A 58 -6.220 26.602 8.066 1.00 0.00 O ATOM 841 CB ASP A 58 -2.992 27.162 6.943 1.00 0.00 C ATOM 842 CG ASP A 58 -2.644 26.999 8.410 1.00 0.00 C ATOM 843 OD1 ASP A 58 -2.251 25.882 8.806 1.00 0.00 O ATOM 844 OD2 ASP A 58 -2.763 27.988 9.162 1.00 0.00 O ATOM 0 H ASP A 58 -3.941 27.208 4.644 1.00 0.00 H new ATOM 0 HA ASP A 58 -4.318 25.470 6.900 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -2.204 26.720 6.334 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.028 28.223 6.697 1.00 0.00 H new ATOM 849 N LYS A 59 -5.576 28.531 7.103 1.00 0.00 N ATOM 850 CA LYS A 59 -6.617 29.325 7.744 1.00 0.00 C ATOM 851 C LYS A 59 -7.955 29.142 7.035 1.00 0.00 C ATOM 852 O LYS A 59 -7.949 28.717 5.861 1.00 0.00 O ATOM 853 CB LYS A 59 -6.228 30.806 7.748 1.00 0.00 C ATOM 854 CG LYS A 59 -7.030 31.641 8.734 1.00 0.00 C ATOM 855 CD LYS A 59 -6.554 33.085 8.756 1.00 0.00 C ATOM 856 CE LYS A 59 -5.637 33.351 9.939 1.00 0.00 C ATOM 857 NZ LYS A 59 -4.258 32.842 9.697 1.00 0.00 N ATOM 0 H LYS A 59 -4.959 29.062 6.489 1.00 0.00 H new ATOM 0 HA LYS A 59 -6.721 28.980 8.773 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -5.168 30.894 7.987 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.364 31.212 6.746 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.086 31.609 8.466 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.942 31.212 9.732 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.028 33.310 7.828 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.415 33.752 8.804 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -5.599 34.422 10.136 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -6.048 32.877 10.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.621 33.202 10.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.263 31.802 9.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -3.927 33.166 8.766 1.00 0.00 H new TER 871 LYS A 59