USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 494 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 13 CYS SG : rot 170:sc= -0.195 USER MOD Set 1.2: A 38 TYR OH : rot -17:sc= -0.63! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -177:sc= -0.139 (180deg=-0.168) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 15 LYS NZ :NH3+ 161:sc= -0.154 (180deg=-0.619) USER MOD Single : A 17 LYS NZ :NH3+ -167:sc=-0.00064 (180deg=-0.136) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0.0107 USER MOD Single : A 27 GLN : amide:sc= -0.0824 X(o=-0.082,f=-0.064) USER MOD Single : A 31 ASN : amide:sc= -0.479 K(o=-0.48,f=-5.4!) USER MOD Single : A 35 ASN : amide:sc= -1.14 X(o=-1.1,f=-1.4) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0252 USER MOD Single : A 58 ASN : amide:sc= -0.523 K(o=-0.52,f=-4.7!) USER MOD Single : A 59 ASN : amide:sc= -0.223 X(o=-0.22,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.682 16.479 4.782 1.00 0.00 N ATOM 2 CA MET A 1 -2.427 17.105 6.099 1.00 0.00 C ATOM 3 C MET A 1 -3.540 16.759 7.081 1.00 0.00 C ATOM 4 O MET A 1 -3.422 17.019 8.277 1.00 0.00 O ATOM 5 CB MET A 1 -2.318 18.628 5.966 1.00 0.00 C ATOM 6 CG MET A 1 -3.633 19.307 5.612 1.00 0.00 C ATOM 7 SD MET A 1 -3.501 21.103 5.571 1.00 0.00 S ATOM 8 CE MET A 1 -5.191 21.550 5.188 1.00 0.00 C ATOM 0 H1 MET A 1 -1.889 16.683 4.141 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.776 15.450 4.899 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.560 16.863 4.379 1.00 0.00 H new ATOM 0 HA MET A 1 -1.482 16.714 6.476 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.948 19.040 6.905 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.579 18.865 5.200 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.971 18.950 4.639 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.393 19.019 6.339 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.276 22.635 5.128 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.476 21.110 4.232 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.852 21.177 5.970 1.00 0.00 H new ATOM 20 N SER A 2 -4.623 16.177 6.580 1.00 0.00 N ATOM 21 CA SER A 2 -5.761 15.848 7.420 1.00 0.00 C ATOM 22 C SER A 2 -5.957 14.332 7.489 1.00 0.00 C ATOM 23 O SER A 2 -5.515 13.598 6.605 1.00 0.00 O ATOM 24 CB SER A 2 -7.027 16.525 6.882 1.00 0.00 C ATOM 25 OG SER A 2 -8.131 16.312 7.742 1.00 0.00 O ATOM 0 H SER A 2 -4.734 15.925 5.598 1.00 0.00 H new ATOM 0 HA SER A 2 -5.567 16.216 8.428 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.851 17.595 6.772 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.256 16.136 5.890 1.00 0.00 H new ATOM 0 HG SER A 2 -8.923 16.757 7.374 1.00 0.00 H new ATOM 31 N LEU A 3 -6.614 13.875 8.544 1.00 0.00 N ATOM 32 CA LEU A 3 -6.872 12.458 8.737 1.00 0.00 C ATOM 33 C LEU A 3 -8.233 12.108 8.137 1.00 0.00 C ATOM 34 O LEU A 3 -9.244 12.725 8.470 1.00 0.00 O ATOM 35 CB LEU A 3 -6.824 12.127 10.242 1.00 0.00 C ATOM 36 CG LEU A 3 -6.574 10.655 10.615 1.00 0.00 C ATOM 37 CD1 LEU A 3 -7.787 9.790 10.317 1.00 0.00 C ATOM 38 CD2 LEU A 3 -5.349 10.124 9.886 1.00 0.00 C ATOM 0 H LEU A 3 -6.981 14.472 9.285 1.00 0.00 H new ATOM 0 HA LEU A 3 -6.110 11.864 8.233 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -6.041 12.732 10.699 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -7.769 12.436 10.689 1.00 0.00 H new ATOM 0 HG LEU A 3 -6.392 10.610 11.689 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -7.574 8.757 10.593 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -8.641 10.150 10.891 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -8.018 9.841 9.253 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -5.186 9.082 10.160 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -5.507 10.195 8.810 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -4.476 10.714 10.165 1.00 0.00 H new ATOM 50 N ASP A 4 -8.253 11.141 7.232 1.00 0.00 N ATOM 51 CA ASP A 4 -9.493 10.718 6.592 1.00 0.00 C ATOM 52 C ASP A 4 -9.741 9.236 6.846 1.00 0.00 C ATOM 53 O ASP A 4 -9.287 8.383 6.082 1.00 0.00 O ATOM 54 CB ASP A 4 -9.464 10.994 5.088 1.00 0.00 C ATOM 55 CG ASP A 4 -10.850 10.925 4.474 1.00 0.00 C ATOM 56 OD1 ASP A 4 -11.463 9.839 4.479 1.00 0.00 O ATOM 57 OD2 ASP A 4 -11.334 11.969 3.984 1.00 0.00 O ATOM 0 H ASP A 4 -7.424 10.633 6.923 1.00 0.00 H new ATOM 0 HA ASP A 4 -10.308 11.297 7.028 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -9.036 11.980 4.908 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -8.813 10.270 4.598 1.00 0.00 H new ATOM 62 N PRO A 5 -10.425 8.909 7.954 1.00 0.00 N ATOM 63 CA PRO A 5 -10.652 7.518 8.369 1.00 0.00 C ATOM 64 C PRO A 5 -11.535 6.740 7.394 1.00 0.00 C ATOM 65 O PRO A 5 -11.633 5.514 7.479 1.00 0.00 O ATOM 66 CB PRO A 5 -11.347 7.655 9.728 1.00 0.00 C ATOM 67 CG PRO A 5 -11.961 9.013 9.714 1.00 0.00 C ATOM 68 CD PRO A 5 -11.051 9.869 8.881 1.00 0.00 C ATOM 0 HA PRO A 5 -9.718 6.957 8.405 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -12.103 6.882 9.864 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -10.635 7.552 10.547 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -12.965 8.983 9.290 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -12.053 9.410 10.725 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -11.605 10.640 8.346 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -10.307 10.378 9.494 1.00 0.00 H new ATOM 76 N GLN A 6 -12.163 7.447 6.461 1.00 0.00 N ATOM 77 CA GLN A 6 -13.054 6.813 5.501 1.00 0.00 C ATOM 78 C GLN A 6 -12.258 6.244 4.338 1.00 0.00 C ATOM 79 O GLN A 6 -12.494 5.118 3.912 1.00 0.00 O ATOM 80 CB GLN A 6 -14.096 7.804 4.987 1.00 0.00 C ATOM 81 CG GLN A 6 -15.116 7.178 4.056 1.00 0.00 C ATOM 82 CD GLN A 6 -16.124 8.183 3.548 1.00 0.00 C ATOM 83 OE1 GLN A 6 -15.818 9.367 3.398 1.00 0.00 O ATOM 84 NE2 GLN A 6 -17.333 7.723 3.282 1.00 0.00 N ATOM 0 H GLN A 6 -12.071 8.457 6.350 1.00 0.00 H new ATOM 0 HA GLN A 6 -13.574 6.000 6.007 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -14.615 8.247 5.837 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -13.588 8.615 4.465 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -14.601 6.724 3.209 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -15.638 6.376 4.579 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -17.544 6.735 3.420 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -18.055 8.356 2.938 1.00 0.00 H new ATOM 93 N LEU A 7 -11.303 7.024 3.837 1.00 0.00 N ATOM 94 CA LEU A 7 -10.446 6.576 2.739 1.00 0.00 C ATOM 95 C LEU A 7 -9.542 5.428 3.180 1.00 0.00 C ATOM 96 O LEU A 7 -8.973 4.719 2.350 1.00 0.00 O ATOM 97 CB LEU A 7 -9.589 7.728 2.207 1.00 0.00 C ATOM 98 CG LEU A 7 -10.358 8.856 1.517 1.00 0.00 C ATOM 99 CD1 LEU A 7 -9.395 9.924 1.024 1.00 0.00 C ATOM 100 CD2 LEU A 7 -11.188 8.316 0.362 1.00 0.00 C ATOM 0 H LEU A 7 -11.102 7.966 4.172 1.00 0.00 H new ATOM 0 HA LEU A 7 -11.099 6.223 1.941 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.025 8.152 3.038 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -8.863 7.322 1.502 1.00 0.00 H new ATOM 0 HG LEU A 7 -11.036 9.304 2.243 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -9.955 10.721 0.535 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -8.843 10.334 1.870 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.696 9.483 0.314 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -11.726 9.136 -0.114 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -10.531 7.841 -0.367 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -11.902 7.583 0.738 1.00 0.00 H new ATOM 112 N LEU A 8 -9.408 5.263 4.486 1.00 0.00 N ATOM 113 CA LEU A 8 -8.611 4.181 5.043 1.00 0.00 C ATOM 114 C LEU A 8 -9.378 2.862 4.988 1.00 0.00 C ATOM 115 O LEU A 8 -8.811 1.823 4.654 1.00 0.00 O ATOM 116 CB LEU A 8 -8.216 4.506 6.488 1.00 0.00 C ATOM 117 CG LEU A 8 -7.358 5.763 6.665 1.00 0.00 C ATOM 118 CD1 LEU A 8 -7.076 6.005 8.139 1.00 0.00 C ATOM 119 CD2 LEU A 8 -6.057 5.630 5.890 1.00 0.00 C ATOM 0 H LEU A 8 -9.843 5.867 5.183 1.00 0.00 H new ATOM 0 HA LEU A 8 -7.706 4.076 4.445 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -9.125 4.620 7.079 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.673 3.655 6.899 1.00 0.00 H new ATOM 0 HG LEU A 8 -7.908 6.618 6.272 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -6.466 6.901 8.250 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -8.017 6.139 8.672 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -6.543 5.149 8.553 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.459 6.531 6.026 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -5.502 4.767 6.257 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -6.277 5.497 4.831 1.00 0.00 H new ATOM 131 N GLU A 9 -10.675 2.924 5.309 1.00 0.00 N ATOM 132 CA GLU A 9 -11.540 1.742 5.336 1.00 0.00 C ATOM 133 C GLU A 9 -10.992 0.653 6.266 1.00 0.00 C ATOM 134 O GLU A 9 -10.159 0.916 7.138 1.00 0.00 O ATOM 135 CB GLU A 9 -11.744 1.182 3.923 1.00 0.00 C ATOM 136 CG GLU A 9 -12.677 2.017 3.058 1.00 0.00 C ATOM 137 CD GLU A 9 -13.129 1.279 1.814 1.00 0.00 C ATOM 138 OE1 GLU A 9 -13.935 0.327 1.943 1.00 0.00 O ATOM 139 OE2 GLU A 9 -12.697 1.648 0.702 1.00 0.00 O ATOM 0 H GLU A 9 -11.152 3.791 5.556 1.00 0.00 H new ATOM 0 HA GLU A 9 -12.505 2.060 5.731 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.775 1.108 3.429 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -12.142 0.170 3.998 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -13.550 2.305 3.644 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -12.171 2.938 2.767 1.00 0.00 H new ATOM 146 N VAL A 10 -11.508 -0.559 6.116 1.00 0.00 N ATOM 147 CA VAL A 10 -11.010 -1.697 6.867 1.00 0.00 C ATOM 148 C VAL A 10 -9.973 -2.442 6.039 1.00 0.00 C ATOM 149 O VAL A 10 -10.313 -3.096 5.051 1.00 0.00 O ATOM 150 CB VAL A 10 -12.149 -2.662 7.255 1.00 0.00 C ATOM 151 CG1 VAL A 10 -11.613 -3.819 8.081 1.00 0.00 C ATOM 152 CG2 VAL A 10 -13.240 -1.924 8.012 1.00 0.00 C ATOM 0 H VAL A 10 -12.274 -0.777 5.478 1.00 0.00 H new ATOM 0 HA VAL A 10 -10.557 -1.322 7.785 1.00 0.00 H new ATOM 0 HB VAL A 10 -12.581 -3.067 6.340 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -12.432 -4.488 8.345 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -10.870 -4.366 7.501 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -11.152 -3.434 8.991 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -14.035 -2.621 8.277 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -12.822 -1.488 8.919 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -13.647 -1.132 7.383 1.00 0.00 H new ATOM 162 N LEU A 11 -8.713 -2.320 6.423 1.00 0.00 N ATOM 163 CA LEU A 11 -7.628 -2.959 5.696 1.00 0.00 C ATOM 164 C LEU A 11 -7.031 -4.094 6.512 1.00 0.00 C ATOM 165 O LEU A 11 -6.310 -3.866 7.487 1.00 0.00 O ATOM 166 CB LEU A 11 -6.543 -1.940 5.342 1.00 0.00 C ATOM 167 CG LEU A 11 -6.990 -0.811 4.412 1.00 0.00 C ATOM 168 CD1 LEU A 11 -5.857 0.180 4.191 1.00 0.00 C ATOM 169 CD2 LEU A 11 -7.474 -1.378 3.084 1.00 0.00 C ATOM 0 H LEU A 11 -8.415 -1.782 7.237 1.00 0.00 H new ATOM 0 HA LEU A 11 -8.036 -3.370 4.773 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.164 -1.501 6.265 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.711 -2.466 4.875 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.818 -0.282 4.883 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -6.194 0.976 3.527 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.557 0.608 5.147 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.007 -0.333 3.740 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -7.789 -0.562 2.433 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.664 -1.931 2.608 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -8.316 -2.048 3.259 1.00 0.00 H new ATOM 181 N ALA A 12 -7.342 -5.318 6.117 1.00 0.00 N ATOM 182 CA ALA A 12 -6.854 -6.493 6.814 1.00 0.00 C ATOM 183 C ALA A 12 -6.145 -7.431 5.850 1.00 0.00 C ATOM 184 O ALA A 12 -6.522 -7.539 4.685 1.00 0.00 O ATOM 185 CB ALA A 12 -8.005 -7.211 7.503 1.00 0.00 C ATOM 0 H ALA A 12 -7.934 -5.522 5.312 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.137 -6.174 7.571 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -7.626 -8.091 8.023 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.475 -6.539 8.222 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -8.740 -7.518 6.759 1.00 0.00 H new ATOM 191 N CYS A 13 -5.097 -8.077 6.339 1.00 0.00 N ATOM 192 CA CYS A 13 -4.375 -9.070 5.560 1.00 0.00 C ATOM 193 C CYS A 13 -5.215 -10.337 5.420 1.00 0.00 C ATOM 194 O CYS A 13 -5.615 -10.931 6.420 1.00 0.00 O ATOM 195 CB CYS A 13 -3.034 -9.386 6.231 1.00 0.00 C ATOM 196 SG CYS A 13 -2.071 -10.677 5.410 1.00 0.00 S ATOM 0 H CYS A 13 -4.726 -7.929 7.278 1.00 0.00 H new ATOM 0 HA CYS A 13 -4.181 -8.671 4.564 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -2.438 -8.474 6.269 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -3.220 -9.689 7.261 1.00 0.00 H new ATOM 0 HG CYS A 13 -0.877 -10.719 5.921 1.00 0.00 H new ATOM 202 N PRO A 14 -5.489 -10.767 4.176 1.00 0.00 N ATOM 203 CA PRO A 14 -6.328 -11.948 3.891 1.00 0.00 C ATOM 204 C PRO A 14 -5.823 -13.240 4.545 1.00 0.00 C ATOM 205 O PRO A 14 -6.522 -14.252 4.550 1.00 0.00 O ATOM 206 CB PRO A 14 -6.268 -12.070 2.364 1.00 0.00 C ATOM 207 CG PRO A 14 -5.928 -10.702 1.886 1.00 0.00 C ATOM 208 CD PRO A 14 -5.032 -10.114 2.937 1.00 0.00 C ATOM 0 HA PRO A 14 -7.332 -11.817 4.295 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -5.516 -12.795 2.054 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -7.221 -12.406 1.956 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -5.425 -10.739 0.919 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -6.826 -10.099 1.755 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -3.982 -10.325 2.735 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -5.134 -9.030 2.992 1.00 0.00 H new ATOM 216 N LYS A 15 -4.614 -13.208 5.089 1.00 0.00 N ATOM 217 CA LYS A 15 -4.060 -14.368 5.777 1.00 0.00 C ATOM 218 C LYS A 15 -4.620 -14.490 7.199 1.00 0.00 C ATOM 219 O LYS A 15 -5.375 -15.413 7.500 1.00 0.00 O ATOM 220 CB LYS A 15 -2.532 -14.284 5.830 1.00 0.00 C ATOM 221 CG LYS A 15 -1.811 -15.011 4.700 1.00 0.00 C ATOM 222 CD LYS A 15 -2.208 -14.489 3.329 1.00 0.00 C ATOM 223 CE LYS A 15 -1.313 -15.052 2.232 1.00 0.00 C ATOM 224 NZ LYS A 15 -1.347 -16.539 2.184 1.00 0.00 N ATOM 0 H LYS A 15 -3.999 -12.394 5.068 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.351 -15.254 5.213 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -2.239 -13.234 5.812 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -2.193 -14.694 6.781 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -0.734 -14.901 4.830 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.032 -16.077 4.758 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -3.245 -14.754 3.125 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -2.150 -13.401 3.323 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -1.628 -14.652 1.268 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -0.288 -14.719 2.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -1.002 -16.864 1.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -0.740 -16.925 2.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.323 -16.869 2.325 1.00 0.00 H new ATOM 238 N ASP A 16 -4.262 -13.541 8.063 1.00 0.00 N ATOM 239 CA ASP A 16 -4.591 -13.645 9.487 1.00 0.00 C ATOM 240 C ASP A 16 -5.549 -12.534 9.930 1.00 0.00 C ATOM 241 O ASP A 16 -5.878 -12.415 11.115 1.00 0.00 O ATOM 242 CB ASP A 16 -3.301 -13.605 10.316 1.00 0.00 C ATOM 243 CG ASP A 16 -3.533 -13.859 11.795 1.00 0.00 C ATOM 244 OD1 ASP A 16 -3.972 -14.970 12.154 1.00 0.00 O ATOM 245 OD2 ASP A 16 -3.262 -12.953 12.611 1.00 0.00 O ATOM 0 H ASP A 16 -3.749 -12.698 7.807 1.00 0.00 H new ATOM 0 HA ASP A 16 -5.100 -14.595 9.651 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -2.606 -14.351 9.930 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -2.826 -12.632 10.191 1.00 0.00 H new ATOM 250 N LYS A 17 -5.994 -11.725 8.968 1.00 0.00 N ATOM 251 CA LYS A 17 -6.936 -10.627 9.223 1.00 0.00 C ATOM 252 C LYS A 17 -6.291 -9.499 10.027 1.00 0.00 C ATOM 253 O LYS A 17 -6.986 -8.633 10.560 1.00 0.00 O ATOM 254 CB LYS A 17 -8.194 -11.131 9.935 1.00 0.00 C ATOM 255 CG LYS A 17 -9.038 -12.055 9.079 1.00 0.00 C ATOM 256 CD LYS A 17 -10.248 -12.566 9.838 1.00 0.00 C ATOM 257 CE LYS A 17 -11.163 -13.377 8.937 1.00 0.00 C ATOM 258 NZ LYS A 17 -11.851 -12.523 7.930 1.00 0.00 N ATOM 0 H LYS A 17 -5.714 -11.809 7.991 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.223 -10.225 8.251 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.903 -11.655 10.845 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.798 -10.276 10.239 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.365 -11.526 8.184 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -8.433 -12.898 8.747 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -9.921 -13.181 10.676 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.799 -11.724 10.257 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.582 -14.144 8.426 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.907 -13.892 9.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -12.621 -13.062 7.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.244 -11.682 8.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -11.170 -12.228 7.202 1.00 0.00 H new ATOM 272 N GLY A 18 -4.964 -9.505 10.095 1.00 0.00 N ATOM 273 CA GLY A 18 -4.253 -8.456 10.799 1.00 0.00 C ATOM 274 C GLY A 18 -4.309 -7.131 10.061 1.00 0.00 C ATOM 275 O GLY A 18 -4.260 -7.112 8.829 1.00 0.00 O ATOM 0 H GLY A 18 -4.369 -10.218 9.675 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -4.681 -8.334 11.794 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.212 -8.752 10.933 1.00 0.00 H new ATOM 279 N PRO A 19 -4.425 -6.009 10.794 1.00 0.00 N ATOM 280 CA PRO A 19 -4.490 -4.664 10.201 1.00 0.00 C ATOM 281 C PRO A 19 -3.234 -4.312 9.404 1.00 0.00 C ATOM 282 O PRO A 19 -2.116 -4.648 9.800 1.00 0.00 O ATOM 283 CB PRO A 19 -4.628 -3.736 11.416 1.00 0.00 C ATOM 284 CG PRO A 19 -5.111 -4.610 12.520 1.00 0.00 C ATOM 285 CD PRO A 19 -4.509 -5.960 12.263 1.00 0.00 C ATOM 0 HA PRO A 19 -5.311 -4.580 9.489 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.674 -3.273 11.669 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -5.332 -2.928 11.217 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.802 -4.222 13.490 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -6.200 -4.662 12.530 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.528 -6.060 12.727 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -5.132 -6.762 12.659 1.00 0.00 H new ATOM 293 N LEU A 20 -3.427 -3.634 8.284 1.00 0.00 N ATOM 294 CA LEU A 20 -2.326 -3.277 7.400 1.00 0.00 C ATOM 295 C LEU A 20 -1.810 -1.875 7.698 1.00 0.00 C ATOM 296 O LEU A 20 -2.576 -0.986 8.066 1.00 0.00 O ATOM 297 CB LEU A 20 -2.780 -3.363 5.942 1.00 0.00 C ATOM 298 CG LEU A 20 -3.219 -4.754 5.483 1.00 0.00 C ATOM 299 CD1 LEU A 20 -3.804 -4.691 4.084 1.00 0.00 C ATOM 300 CD2 LEU A 20 -2.046 -5.720 5.526 1.00 0.00 C ATOM 0 H LEU A 20 -4.342 -3.317 7.963 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.513 -3.982 7.572 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.608 -2.670 5.793 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.964 -3.027 5.303 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.990 -5.116 6.163 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.111 -5.689 3.773 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.669 -4.028 4.081 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.052 -4.311 3.392 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.374 -6.706 5.197 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.255 -5.362 4.867 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.666 -5.786 6.546 1.00 0.00 H new ATOM 312 N ARG A 21 -0.505 -1.696 7.558 1.00 0.00 N ATOM 313 CA ARG A 21 0.114 -0.386 7.692 1.00 0.00 C ATOM 314 C ARG A 21 0.075 0.331 6.344 1.00 0.00 C ATOM 315 O ARG A 21 0.521 -0.219 5.335 1.00 0.00 O ATOM 316 CB ARG A 21 1.563 -0.534 8.170 1.00 0.00 C ATOM 317 CG ARG A 21 2.227 0.778 8.548 1.00 0.00 C ATOM 318 CD ARG A 21 1.672 1.331 9.851 1.00 0.00 C ATOM 319 NE ARG A 21 2.265 2.621 10.193 1.00 0.00 N ATOM 320 CZ ARG A 21 2.694 2.951 11.411 1.00 0.00 C ATOM 321 NH1 ARG A 21 2.607 2.089 12.419 1.00 0.00 N ATOM 322 NH2 ARG A 21 3.214 4.153 11.618 1.00 0.00 N ATOM 0 H ARG A 21 0.151 -2.449 7.350 1.00 0.00 H new ATOM 0 HA ARG A 21 -0.435 0.200 8.429 1.00 0.00 H new ATOM 0 HB2 ARG A 21 1.584 -1.201 9.032 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.147 -1.011 7.383 1.00 0.00 H new ATOM 0 HG2 ARG A 21 3.302 0.628 8.645 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.077 1.505 7.750 1.00 0.00 H new ATOM 0 HD2 ARG A 21 0.591 1.440 9.768 1.00 0.00 H new ATOM 0 HD3 ARG A 21 1.860 0.620 10.656 1.00 0.00 H new ATOM 0 HE ARG A 21 2.357 3.315 9.451 1.00 0.00 H new ATOM 0 HH11 ARG A 21 2.208 1.163 12.265 1.00 0.00 H new ATOM 0 HH12 ARG A 21 2.939 2.354 13.346 1.00 0.00 H new ATOM 0 HH21 ARG A 21 3.284 4.818 10.848 1.00 0.00 H new ATOM 0 HH22 ARG A 21 3.544 4.413 12.547 1.00 0.00 H new ATOM 336 N TYR A 22 -0.461 1.544 6.329 1.00 0.00 N ATOM 337 CA TYR A 22 -0.626 2.298 5.093 1.00 0.00 C ATOM 338 C TYR A 22 0.618 3.138 4.800 1.00 0.00 C ATOM 339 O TYR A 22 0.826 4.194 5.405 1.00 0.00 O ATOM 340 CB TYR A 22 -1.865 3.198 5.206 1.00 0.00 C ATOM 341 CG TYR A 22 -2.391 3.728 3.886 1.00 0.00 C ATOM 342 CD1 TYR A 22 -1.743 4.753 3.202 1.00 0.00 C ATOM 343 CD2 TYR A 22 -3.552 3.204 3.328 1.00 0.00 C ATOM 344 CE1 TYR A 22 -2.238 5.237 2.007 1.00 0.00 C ATOM 345 CE2 TYR A 22 -4.053 3.686 2.135 1.00 0.00 C ATOM 346 CZ TYR A 22 -3.390 4.701 1.478 1.00 0.00 C ATOM 347 OH TYR A 22 -3.889 5.187 0.290 1.00 0.00 O ATOM 0 H TYR A 22 -0.791 2.029 7.163 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.761 1.599 4.267 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -2.660 2.638 5.699 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.625 4.043 5.851 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.838 5.177 3.613 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -4.071 2.405 3.837 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -1.723 6.033 1.490 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -4.959 3.270 1.719 1.00 0.00 H new ATOM 0 HH TYR A 22 -4.706 4.700 0.055 1.00 0.00 H new ATOM 357 N LEU A 23 1.448 2.657 3.883 1.00 0.00 N ATOM 358 CA LEU A 23 2.647 3.382 3.478 1.00 0.00 C ATOM 359 C LEU A 23 2.342 4.288 2.292 1.00 0.00 C ATOM 360 O LEU A 23 2.164 3.820 1.166 1.00 0.00 O ATOM 361 CB LEU A 23 3.795 2.429 3.119 1.00 0.00 C ATOM 362 CG LEU A 23 4.535 1.795 4.303 1.00 0.00 C ATOM 363 CD1 LEU A 23 3.658 0.792 5.029 1.00 0.00 C ATOM 364 CD2 LEU A 23 5.817 1.137 3.830 1.00 0.00 C ATOM 0 H LEU A 23 1.313 1.766 3.405 1.00 0.00 H new ATOM 0 HA LEU A 23 2.964 3.987 4.327 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.396 1.629 2.495 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.519 2.975 2.514 1.00 0.00 H new ATOM 0 HG LEU A 23 4.786 2.588 5.008 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.212 0.361 5.863 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.767 1.294 5.406 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.364 -0.000 4.340 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.332 0.691 4.681 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.581 0.361 3.102 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.461 1.885 3.367 1.00 0.00 H new ATOM 376 N GLU A 24 2.289 5.586 2.558 1.00 0.00 N ATOM 377 CA GLU A 24 1.972 6.582 1.538 1.00 0.00 C ATOM 378 C GLU A 24 3.158 6.822 0.600 1.00 0.00 C ATOM 379 O GLU A 24 3.032 7.497 -0.422 1.00 0.00 O ATOM 380 CB GLU A 24 1.572 7.891 2.218 1.00 0.00 C ATOM 381 CG GLU A 24 0.335 7.765 3.092 1.00 0.00 C ATOM 382 CD GLU A 24 0.160 8.944 4.023 1.00 0.00 C ATOM 383 OE1 GLU A 24 -0.152 10.053 3.539 1.00 0.00 O ATOM 384 OE2 GLU A 24 0.355 8.773 5.242 1.00 0.00 O ATOM 0 H GLU A 24 2.463 5.979 3.483 1.00 0.00 H new ATOM 0 HA GLU A 24 1.144 6.206 0.936 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.404 8.244 2.828 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.393 8.648 1.455 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.546 7.674 2.457 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.401 6.849 3.679 1.00 0.00 H new ATOM 391 N SER A 25 4.306 6.265 0.953 1.00 0.00 N ATOM 392 CA SER A 25 5.521 6.454 0.174 1.00 0.00 C ATOM 393 C SER A 25 5.507 5.608 -1.098 1.00 0.00 C ATOM 394 O SER A 25 5.513 6.140 -2.210 1.00 0.00 O ATOM 395 CB SER A 25 6.739 6.112 1.036 1.00 0.00 C ATOM 396 OG SER A 25 6.563 4.863 1.693 1.00 0.00 O ATOM 0 H SER A 25 4.422 5.676 1.777 1.00 0.00 H new ATOM 0 HA SER A 25 5.577 7.499 -0.132 1.00 0.00 H new ATOM 0 HB2 SER A 25 7.632 6.076 0.412 1.00 0.00 H new ATOM 0 HB3 SER A 25 6.898 6.897 1.775 1.00 0.00 H new ATOM 0 HG SER A 25 7.354 4.665 2.236 1.00 0.00 H new ATOM 402 N GLU A 26 5.474 4.295 -0.929 1.00 0.00 N ATOM 403 CA GLU A 26 5.561 3.372 -2.054 1.00 0.00 C ATOM 404 C GLU A 26 4.201 2.756 -2.372 1.00 0.00 C ATOM 405 O GLU A 26 4.117 1.787 -3.127 1.00 0.00 O ATOM 406 CB GLU A 26 6.565 2.265 -1.730 1.00 0.00 C ATOM 407 CG GLU A 26 7.934 2.781 -1.315 1.00 0.00 C ATOM 408 CD GLU A 26 8.876 1.665 -0.906 1.00 0.00 C ATOM 409 OE1 GLU A 26 9.448 1.011 -1.803 1.00 0.00 O ATOM 410 OE2 GLU A 26 9.051 1.442 0.313 1.00 0.00 O ATOM 0 H GLU A 26 5.387 3.841 -0.020 1.00 0.00 H new ATOM 0 HA GLU A 26 5.893 3.930 -2.929 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.162 1.645 -0.929 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.678 1.623 -2.604 1.00 0.00 H new ATOM 0 HG2 GLU A 26 8.374 3.339 -2.141 1.00 0.00 H new ATOM 0 HG3 GLU A 26 7.820 3.478 -0.485 1.00 0.00 H new ATOM 417 N GLN A 27 3.145 3.339 -1.799 1.00 0.00 N ATOM 418 CA GLN A 27 1.784 2.816 -1.940 1.00 0.00 C ATOM 419 C GLN A 27 1.729 1.361 -1.487 1.00 0.00 C ATOM 420 O GLN A 27 1.283 0.481 -2.227 1.00 0.00 O ATOM 421 CB GLN A 27 1.268 2.931 -3.383 1.00 0.00 C ATOM 422 CG GLN A 27 0.849 4.337 -3.801 1.00 0.00 C ATOM 423 CD GLN A 27 2.023 5.262 -4.062 1.00 0.00 C ATOM 424 OE1 GLN A 27 2.547 5.314 -5.175 1.00 0.00 O ATOM 425 NE2 GLN A 27 2.419 6.029 -3.059 1.00 0.00 N ATOM 0 H GLN A 27 3.208 4.182 -1.228 1.00 0.00 H new ATOM 0 HA GLN A 27 1.137 3.423 -1.306 1.00 0.00 H new ATOM 0 HB2 GLN A 27 2.046 2.582 -4.061 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.416 2.262 -3.504 1.00 0.00 H new ATOM 0 HG2 GLN A 27 0.238 4.274 -4.702 1.00 0.00 H new ATOM 0 HG3 GLN A 27 0.222 4.769 -3.021 1.00 0.00 H new ATOM 0 HE21 GLN A 27 1.961 5.958 -2.151 1.00 0.00 H new ATOM 0 HE22 GLN A 27 3.183 6.692 -3.194 1.00 0.00 H new ATOM 434 N LEU A 28 2.170 1.121 -0.260 1.00 0.00 N ATOM 435 CA LEU A 28 2.272 -0.231 0.264 1.00 0.00 C ATOM 436 C LEU A 28 1.378 -0.418 1.475 1.00 0.00 C ATOM 437 O LEU A 28 1.253 0.471 2.312 1.00 0.00 O ATOM 438 CB LEU A 28 3.716 -0.547 0.669 1.00 0.00 C ATOM 439 CG LEU A 28 4.721 -0.629 -0.477 1.00 0.00 C ATOM 440 CD1 LEU A 28 6.127 -0.820 0.066 1.00 0.00 C ATOM 441 CD2 LEU A 28 4.366 -1.763 -1.426 1.00 0.00 C ATOM 0 H LEU A 28 2.463 1.849 0.392 1.00 0.00 H new ATOM 0 HA LEU A 28 1.953 -0.909 -0.528 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.053 0.217 1.370 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.725 -1.497 1.204 1.00 0.00 H new ATOM 0 HG LEU A 28 4.682 0.308 -1.032 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.833 -0.877 -0.763 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.387 0.022 0.707 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.171 -1.743 0.644 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.096 -1.803 -2.235 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.375 -2.708 -0.883 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.373 -1.592 -1.841 1.00 0.00 H new ATOM 453 N LEU A 29 0.758 -1.574 1.550 1.00 0.00 N ATOM 454 CA LEU A 29 0.054 -1.981 2.747 1.00 0.00 C ATOM 455 C LEU A 29 0.817 -3.131 3.378 1.00 0.00 C ATOM 456 O LEU A 29 0.831 -4.240 2.848 1.00 0.00 O ATOM 457 CB LEU A 29 -1.381 -2.408 2.416 1.00 0.00 C ATOM 458 CG LEU A 29 -2.264 -1.317 1.804 1.00 0.00 C ATOM 459 CD1 LEU A 29 -3.632 -1.877 1.448 1.00 0.00 C ATOM 460 CD2 LEU A 29 -2.399 -0.141 2.759 1.00 0.00 C ATOM 0 H LEU A 29 0.727 -2.254 0.790 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.005 -1.144 3.442 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.342 -3.250 1.725 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.856 -2.767 3.329 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.789 -0.962 0.889 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.246 -1.088 1.014 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.517 -2.686 0.726 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.114 -2.259 2.348 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -3.030 0.624 2.307 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.851 -0.479 3.691 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.413 0.276 2.964 1.00 0.00 H new ATOM 472 N VAL A 30 1.461 -2.861 4.496 1.00 0.00 N ATOM 473 CA VAL A 30 2.351 -3.844 5.098 1.00 0.00 C ATOM 474 C VAL A 30 1.824 -4.305 6.443 1.00 0.00 C ATOM 475 O VAL A 30 1.553 -3.496 7.324 1.00 0.00 O ATOM 476 CB VAL A 30 3.776 -3.277 5.283 1.00 0.00 C ATOM 477 CG1 VAL A 30 4.716 -4.336 5.842 1.00 0.00 C ATOM 478 CG2 VAL A 30 4.313 -2.728 3.971 1.00 0.00 C ATOM 0 H VAL A 30 1.389 -1.980 5.005 1.00 0.00 H new ATOM 0 HA VAL A 30 2.393 -4.693 4.415 1.00 0.00 H new ATOM 0 HB VAL A 30 3.720 -2.459 6.001 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.712 -3.911 5.963 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.347 -4.676 6.810 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.763 -5.181 5.154 1.00 0.00 H new ATOM 0 HG21 VAL A 30 5.318 -2.334 4.125 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.346 -3.526 3.229 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.661 -1.930 3.616 1.00 0.00 H new ATOM 488 N ASN A 31 1.663 -5.605 6.594 1.00 0.00 N ATOM 489 CA ASN A 31 1.287 -6.172 7.875 1.00 0.00 C ATOM 490 C ASN A 31 2.540 -6.572 8.636 1.00 0.00 C ATOM 491 O ASN A 31 3.261 -7.482 8.228 1.00 0.00 O ATOM 492 CB ASN A 31 0.365 -7.382 7.687 1.00 0.00 C ATOM 493 CG ASN A 31 0.002 -8.052 8.999 1.00 0.00 C ATOM 494 OD1 ASN A 31 -0.016 -7.422 10.053 1.00 0.00 O ATOM 495 ND2 ASN A 31 -0.286 -9.342 8.945 1.00 0.00 N ATOM 0 H ASN A 31 1.786 -6.288 5.847 1.00 0.00 H new ATOM 0 HA ASN A 31 0.741 -5.422 8.447 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -0.547 -7.064 7.182 1.00 0.00 H new ATOM 0 HB3 ASN A 31 0.853 -8.108 7.036 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -0.533 -9.845 9.797 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -0.261 -9.833 8.051 1.00 0.00 H new ATOM 502 N GLU A 32 2.776 -5.900 9.751 1.00 0.00 N ATOM 503 CA GLU A 32 3.977 -6.120 10.553 1.00 0.00 C ATOM 504 C GLU A 32 3.881 -7.420 11.340 1.00 0.00 C ATOM 505 O GLU A 32 4.876 -7.911 11.872 1.00 0.00 O ATOM 506 CB GLU A 32 4.196 -4.938 11.498 1.00 0.00 C ATOM 507 CG GLU A 32 2.960 -4.569 12.305 1.00 0.00 C ATOM 508 CD GLU A 32 3.168 -3.352 13.177 1.00 0.00 C ATOM 509 OE1 GLU A 32 3.463 -2.273 12.627 1.00 0.00 O ATOM 510 OE2 GLU A 32 3.009 -3.465 14.410 1.00 0.00 O ATOM 0 H GLU A 32 2.147 -5.190 10.127 1.00 0.00 H new ATOM 0 HA GLU A 32 4.830 -6.200 9.879 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.010 -5.177 12.183 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.512 -4.072 10.917 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.130 -4.384 11.624 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.676 -5.414 12.932 1.00 0.00 H new ATOM 517 N ARG A 33 2.678 -7.972 11.399 1.00 0.00 N ATOM 518 CA ARG A 33 2.436 -9.221 12.105 1.00 0.00 C ATOM 519 C ARG A 33 2.898 -10.419 11.281 1.00 0.00 C ATOM 520 O ARG A 33 3.288 -11.445 11.830 1.00 0.00 O ATOM 521 CB ARG A 33 0.947 -9.355 12.434 1.00 0.00 C ATOM 522 CG ARG A 33 0.469 -8.384 13.500 1.00 0.00 C ATOM 523 CD ARG A 33 -1.044 -8.214 13.472 1.00 0.00 C ATOM 524 NE ARG A 33 -1.764 -9.488 13.555 1.00 0.00 N ATOM 525 CZ ARG A 33 -2.954 -9.630 14.144 1.00 0.00 C ATOM 526 NH1 ARG A 33 -3.509 -8.611 14.787 1.00 0.00 N ATOM 527 NH2 ARG A 33 -3.588 -10.795 14.101 1.00 0.00 N ATOM 0 H ARG A 33 1.848 -7.570 10.962 1.00 0.00 H new ATOM 0 HA ARG A 33 3.011 -9.205 13.031 1.00 0.00 H new ATOM 0 HB2 ARG A 33 0.367 -9.197 11.525 1.00 0.00 H new ATOM 0 HB3 ARG A 33 0.747 -10.374 12.767 1.00 0.00 H new ATOM 0 HG2 ARG A 33 0.776 -8.742 14.482 1.00 0.00 H new ATOM 0 HG3 ARG A 33 0.946 -7.416 13.350 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -1.348 -7.576 14.302 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -1.330 -7.700 12.554 1.00 0.00 H new ATOM 0 HE ARG A 33 -1.332 -10.313 13.139 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -3.027 -7.713 14.833 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -4.418 -8.725 15.235 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -3.167 -11.587 13.616 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -4.497 -10.898 14.553 1.00 0.00 H new ATOM 541 N LEU A 34 2.861 -10.287 9.960 1.00 0.00 N ATOM 542 CA LEU A 34 3.184 -11.408 9.082 1.00 0.00 C ATOM 543 C LEU A 34 4.302 -11.069 8.099 1.00 0.00 C ATOM 544 O LEU A 34 4.722 -11.927 7.319 1.00 0.00 O ATOM 545 CB LEU A 34 1.938 -11.856 8.312 1.00 0.00 C ATOM 546 CG LEU A 34 0.802 -12.427 9.165 1.00 0.00 C ATOM 547 CD1 LEU A 34 -0.408 -12.734 8.296 1.00 0.00 C ATOM 548 CD2 LEU A 34 1.263 -13.680 9.889 1.00 0.00 C ATOM 0 H LEU A 34 2.613 -9.424 9.476 1.00 0.00 H new ATOM 0 HA LEU A 34 3.536 -12.221 9.717 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.554 -11.004 7.751 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.235 -12.610 7.583 1.00 0.00 H new ATOM 0 HG LEU A 34 0.517 -11.682 9.908 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.208 -13.139 8.916 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.751 -11.819 7.814 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.133 -13.464 7.535 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.444 -14.074 10.491 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.570 -14.429 9.160 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.105 -13.437 10.537 1.00 0.00 H new ATOM 560 N ASN A 35 4.786 -9.829 8.144 1.00 0.00 N ATOM 561 CA ASN A 35 5.841 -9.370 7.234 1.00 0.00 C ATOM 562 C ASN A 35 5.383 -9.465 5.787 1.00 0.00 C ATOM 563 O ASN A 35 6.172 -9.777 4.897 1.00 0.00 O ATOM 564 CB ASN A 35 7.131 -10.184 7.419 1.00 0.00 C ATOM 565 CG ASN A 35 7.860 -9.861 8.708 1.00 0.00 C ATOM 566 OD1 ASN A 35 7.253 -9.465 9.702 1.00 0.00 O ATOM 567 ND2 ASN A 35 9.170 -10.033 8.703 1.00 0.00 N ATOM 0 H ASN A 35 4.465 -9.120 8.803 1.00 0.00 H new ATOM 0 HA ASN A 35 6.049 -8.328 7.477 1.00 0.00 H new ATOM 0 HB2 ASN A 35 6.888 -11.246 7.403 1.00 0.00 H new ATOM 0 HB3 ASN A 35 7.796 -9.996 6.576 1.00 0.00 H new ATOM 0 HD21 ASN A 35 9.713 -9.836 9.543 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.638 -10.363 7.859 1.00 0.00 H new ATOM 574 N LEU A 36 4.118 -9.149 5.547 1.00 0.00 N ATOM 575 CA LEU A 36 3.548 -9.256 4.213 1.00 0.00 C ATOM 576 C LEU A 36 3.100 -7.890 3.717 1.00 0.00 C ATOM 577 O LEU A 36 2.442 -7.144 4.447 1.00 0.00 O ATOM 578 CB LEU A 36 2.363 -10.229 4.209 1.00 0.00 C ATOM 579 CG LEU A 36 2.701 -11.672 4.587 1.00 0.00 C ATOM 580 CD1 LEU A 36 1.442 -12.528 4.610 1.00 0.00 C ATOM 581 CD2 LEU A 36 3.723 -12.254 3.621 1.00 0.00 C ATOM 0 H LEU A 36 3.468 -8.817 6.259 1.00 0.00 H new ATOM 0 HA LEU A 36 4.317 -9.640 3.543 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.607 -9.857 4.900 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.915 -10.226 3.215 1.00 0.00 H new ATOM 0 HG LEU A 36 3.135 -11.671 5.587 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.703 -13.551 4.881 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.742 -12.126 5.342 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.979 -12.521 3.623 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.950 -13.281 3.907 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.317 -12.240 2.610 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.635 -11.658 3.654 1.00 0.00 H new ATOM 593 N ALA A 37 3.456 -7.576 2.478 1.00 0.00 N ATOM 594 CA ALA A 37 3.146 -6.281 1.890 1.00 0.00 C ATOM 595 C ALA A 37 2.325 -6.425 0.615 1.00 0.00 C ATOM 596 O ALA A 37 2.560 -7.328 -0.194 1.00 0.00 O ATOM 597 CB ALA A 37 4.427 -5.514 1.597 1.00 0.00 C ATOM 0 H ALA A 37 3.964 -8.207 1.857 1.00 0.00 H new ATOM 0 HA ALA A 37 2.549 -5.726 2.614 1.00 0.00 H new ATOM 0 HB1 ALA A 37 4.180 -4.548 1.158 1.00 0.00 H new ATOM 0 HB2 ALA A 37 4.979 -5.361 2.524 1.00 0.00 H new ATOM 0 HB3 ALA A 37 5.041 -6.084 0.899 1.00 0.00 H new ATOM 603 N TYR A 38 1.347 -5.543 0.468 1.00 0.00 N ATOM 604 CA TYR A 38 0.522 -5.472 -0.731 1.00 0.00 C ATOM 605 C TYR A 38 0.673 -4.092 -1.354 1.00 0.00 C ATOM 606 O TYR A 38 0.955 -3.120 -0.652 1.00 0.00 O ATOM 607 CB TYR A 38 -0.952 -5.720 -0.386 1.00 0.00 C ATOM 608 CG TYR A 38 -1.207 -7.008 0.366 1.00 0.00 C ATOM 609 CD1 TYR A 38 -1.116 -7.055 1.753 1.00 0.00 C ATOM 610 CD2 TYR A 38 -1.540 -8.175 -0.307 1.00 0.00 C ATOM 611 CE1 TYR A 38 -1.348 -8.228 2.445 1.00 0.00 C ATOM 612 CE2 TYR A 38 -1.775 -9.350 0.378 1.00 0.00 C ATOM 613 CZ TYR A 38 -1.676 -9.372 1.753 1.00 0.00 C ATOM 614 OH TYR A 38 -1.907 -10.544 2.437 1.00 0.00 O ATOM 0 H TYR A 38 1.102 -4.854 1.179 1.00 0.00 H new ATOM 0 HA TYR A 38 0.847 -6.239 -1.434 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -1.319 -4.885 0.212 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -1.532 -5.731 -1.309 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -0.860 -6.159 2.299 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -1.617 -8.164 -1.384 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.273 -8.247 3.522 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -2.035 -10.249 -0.161 1.00 0.00 H new ATOM 0 HH TYR A 38 -1.541 -10.471 3.343 1.00 0.00 H new ATOM 624 N ARG A 39 0.499 -3.991 -2.658 1.00 0.00 N ATOM 625 CA ARG A 39 0.608 -2.699 -3.316 1.00 0.00 C ATOM 626 C ARG A 39 -0.755 -2.103 -3.624 1.00 0.00 C ATOM 627 O ARG A 39 -1.715 -2.814 -3.919 1.00 0.00 O ATOM 628 CB ARG A 39 1.422 -2.793 -4.604 1.00 0.00 C ATOM 629 CG ARG A 39 2.881 -2.419 -4.417 1.00 0.00 C ATOM 630 CD ARG A 39 3.586 -2.255 -5.748 1.00 0.00 C ATOM 631 NE ARG A 39 4.903 -1.645 -5.590 1.00 0.00 N ATOM 632 CZ ARG A 39 5.546 -1.000 -6.562 1.00 0.00 C ATOM 633 NH1 ARG A 39 4.998 -0.887 -7.766 1.00 0.00 N ATOM 634 NH2 ARG A 39 6.736 -0.463 -6.333 1.00 0.00 N ATOM 0 H ARG A 39 0.285 -4.773 -3.276 1.00 0.00 H new ATOM 0 HA ARG A 39 1.125 -2.042 -2.617 1.00 0.00 H new ATOM 0 HB2 ARG A 39 1.361 -3.810 -4.991 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.979 -2.139 -5.355 1.00 0.00 H new ATOM 0 HG2 ARG A 39 2.950 -1.490 -3.850 1.00 0.00 H new ATOM 0 HG3 ARG A 39 3.383 -3.188 -3.830 1.00 0.00 H new ATOM 0 HD2 ARG A 39 3.691 -3.229 -6.227 1.00 0.00 H new ATOM 0 HD3 ARG A 39 2.977 -1.639 -6.409 1.00 0.00 H new ATOM 0 HE ARG A 39 5.358 -1.717 -4.680 1.00 0.00 H new ATOM 0 HH11 ARG A 39 4.081 -1.295 -7.949 1.00 0.00 H new ATOM 0 HH12 ARG A 39 5.494 -0.392 -8.508 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.162 -0.543 -5.410 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.225 0.030 -7.080 1.00 0.00 H new ATOM 648 N ILE A 40 -0.827 -0.787 -3.531 1.00 0.00 N ATOM 649 CA ILE A 40 -1.993 -0.048 -3.972 1.00 0.00 C ATOM 650 C ILE A 40 -1.745 0.448 -5.387 1.00 0.00 C ATOM 651 O ILE A 40 -0.874 1.290 -5.607 1.00 0.00 O ATOM 652 CB ILE A 40 -2.278 1.158 -3.047 1.00 0.00 C ATOM 653 CG1 ILE A 40 -2.398 0.693 -1.592 1.00 0.00 C ATOM 654 CG2 ILE A 40 -3.544 1.880 -3.481 1.00 0.00 C ATOM 655 CD1 ILE A 40 -2.553 1.823 -0.601 1.00 0.00 C ATOM 0 H ILE A 40 -0.082 -0.204 -3.149 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.860 -0.708 -3.940 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.444 1.856 -3.123 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.254 0.025 -1.504 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.513 0.113 -1.332 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.727 2.725 -2.817 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.425 2.240 -4.503 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.389 1.193 -3.434 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.632 1.415 0.407 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.685 2.480 -0.660 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.454 2.390 -0.834 1.00 0.00 H new ATOM 667 N ASP A 41 -2.488 -0.082 -6.341 1.00 0.00 N ATOM 668 CA ASP A 41 -2.240 0.209 -7.746 1.00 0.00 C ATOM 669 C ASP A 41 -3.349 1.077 -8.323 1.00 0.00 C ATOM 670 O ASP A 41 -4.506 0.660 -8.386 1.00 0.00 O ATOM 671 CB ASP A 41 -2.117 -1.097 -8.531 1.00 0.00 C ATOM 672 CG ASP A 41 -1.627 -0.883 -9.946 1.00 0.00 C ATOM 673 OD1 ASP A 41 -0.440 -0.532 -10.121 1.00 0.00 O ATOM 674 OD2 ASP A 41 -2.418 -1.083 -10.891 1.00 0.00 O ATOM 0 H ASP A 41 -3.269 -0.716 -6.171 1.00 0.00 H new ATOM 0 HA ASP A 41 -1.304 0.762 -7.829 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.431 -1.766 -8.011 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.087 -1.593 -8.558 1.00 0.00 H new ATOM 679 N ASP A 42 -2.983 2.300 -8.707 1.00 0.00 N ATOM 680 CA ASP A 42 -3.923 3.273 -9.275 1.00 0.00 C ATOM 681 C ASP A 42 -5.052 3.571 -8.284 1.00 0.00 C ATOM 682 O ASP A 42 -6.208 3.773 -8.656 1.00 0.00 O ATOM 683 CB ASP A 42 -4.489 2.773 -10.613 1.00 0.00 C ATOM 684 CG ASP A 42 -5.252 3.855 -11.358 1.00 0.00 C ATOM 685 OD1 ASP A 42 -4.639 4.888 -11.704 1.00 0.00 O ATOM 686 OD2 ASP A 42 -6.462 3.676 -11.614 1.00 0.00 O ATOM 0 H ASP A 42 -2.026 2.647 -8.634 1.00 0.00 H new ATOM 0 HA ASP A 42 -3.381 4.199 -9.466 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -3.672 2.412 -11.238 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.150 1.925 -10.431 1.00 0.00 H new ATOM 691 N GLY A 43 -4.697 3.602 -7.008 1.00 0.00 N ATOM 692 CA GLY A 43 -5.666 3.899 -5.972 1.00 0.00 C ATOM 693 C GLY A 43 -6.441 2.674 -5.533 1.00 0.00 C ATOM 694 O GLY A 43 -7.295 2.757 -4.650 1.00 0.00 O ATOM 0 H GLY A 43 -3.751 3.426 -6.670 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.153 4.328 -5.111 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -6.363 4.654 -6.336 1.00 0.00 H new ATOM 698 N ILE A 44 -6.144 1.532 -6.144 1.00 0.00 N ATOM 699 CA ILE A 44 -6.807 0.283 -5.797 1.00 0.00 C ATOM 700 C ILE A 44 -5.856 -0.629 -5.036 1.00 0.00 C ATOM 701 O ILE A 44 -4.872 -1.114 -5.596 1.00 0.00 O ATOM 702 CB ILE A 44 -7.320 -0.460 -7.049 1.00 0.00 C ATOM 703 CG1 ILE A 44 -8.318 0.413 -7.808 1.00 0.00 C ATOM 704 CG2 ILE A 44 -7.966 -1.785 -6.661 1.00 0.00 C ATOM 705 CD1 ILE A 44 -8.822 -0.212 -9.089 1.00 0.00 C ATOM 0 H ILE A 44 -5.447 1.447 -6.883 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.661 0.538 -5.170 1.00 0.00 H new ATOM 0 HB ILE A 44 -6.470 -0.669 -7.698 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -9.168 0.626 -7.159 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -7.848 1.368 -8.041 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -8.321 -2.293 -7.558 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -7.233 -2.413 -6.154 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -8.807 -1.598 -5.993 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -9.526 0.466 -9.572 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -7.982 -0.399 -9.758 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -9.322 -1.153 -8.862 1.00 0.00 H new ATOM 717 N PRO A 45 -6.115 -0.844 -3.740 1.00 0.00 N ATOM 718 CA PRO A 45 -5.307 -1.747 -2.925 1.00 0.00 C ATOM 719 C PRO A 45 -5.500 -3.199 -3.349 1.00 0.00 C ATOM 720 O PRO A 45 -6.580 -3.769 -3.176 1.00 0.00 O ATOM 721 CB PRO A 45 -5.828 -1.522 -1.503 1.00 0.00 C ATOM 722 CG PRO A 45 -7.214 -1.000 -1.679 1.00 0.00 C ATOM 723 CD PRO A 45 -7.215 -0.232 -2.972 1.00 0.00 C ATOM 0 HA PRO A 45 -4.239 -1.551 -3.022 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -5.825 -2.449 -0.930 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -5.204 -0.811 -0.962 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -7.936 -1.816 -1.711 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -7.496 -0.358 -0.845 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -8.168 -0.325 -3.493 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -7.045 0.832 -2.807 1.00 0.00 H new ATOM 731 N VAL A 46 -4.462 -3.787 -3.923 1.00 0.00 N ATOM 732 CA VAL A 46 -4.538 -5.150 -4.413 1.00 0.00 C ATOM 733 C VAL A 46 -4.408 -6.140 -3.258 1.00 0.00 C ATOM 734 O VAL A 46 -3.306 -6.554 -2.891 1.00 0.00 O ATOM 735 CB VAL A 46 -3.451 -5.440 -5.466 1.00 0.00 C ATOM 736 CG1 VAL A 46 -3.617 -6.834 -6.041 1.00 0.00 C ATOM 737 CG2 VAL A 46 -3.482 -4.398 -6.577 1.00 0.00 C ATOM 0 H VAL A 46 -3.556 -3.339 -4.060 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.512 -5.269 -4.888 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.481 -5.386 -4.972 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.839 -7.017 -6.782 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.536 -7.570 -5.241 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.595 -6.918 -6.514 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.706 -4.623 -7.309 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.457 -4.415 -7.065 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.306 -3.409 -6.154 1.00 0.00 H new ATOM 747 N LEU A 47 -5.539 -6.492 -2.666 1.00 0.00 N ATOM 748 CA LEU A 47 -5.549 -7.405 -1.539 1.00 0.00 C ATOM 749 C LEU A 47 -5.924 -8.806 -1.994 1.00 0.00 C ATOM 750 O LEU A 47 -7.082 -9.218 -1.903 1.00 0.00 O ATOM 751 CB LEU A 47 -6.516 -6.919 -0.453 1.00 0.00 C ATOM 752 CG LEU A 47 -6.205 -5.532 0.118 1.00 0.00 C ATOM 753 CD1 LEU A 47 -7.231 -5.150 1.175 1.00 0.00 C ATOM 754 CD2 LEU A 47 -4.800 -5.502 0.698 1.00 0.00 C ATOM 0 H LEU A 47 -6.460 -6.158 -2.949 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.545 -7.434 -1.115 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -7.525 -6.908 -0.865 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -6.513 -7.641 0.364 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.259 -4.803 -0.690 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.995 -4.162 1.570 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -8.225 -5.135 0.728 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -7.208 -5.880 1.984 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.593 -4.510 1.100 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.720 -6.241 1.496 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.078 -5.734 -0.085 1.00 0.00 H new ATOM 766 N LEU A 48 -4.945 -9.520 -2.522 1.00 0.00 N ATOM 767 CA LEU A 48 -5.135 -10.903 -2.920 1.00 0.00 C ATOM 768 C LEU A 48 -4.212 -11.788 -2.105 1.00 0.00 C ATOM 769 O LEU A 48 -3.163 -11.339 -1.644 1.00 0.00 O ATOM 770 CB LEU A 48 -4.863 -11.093 -4.413 1.00 0.00 C ATOM 771 CG LEU A 48 -5.752 -10.274 -5.351 1.00 0.00 C ATOM 772 CD1 LEU A 48 -5.365 -10.530 -6.799 1.00 0.00 C ATOM 773 CD2 LEU A 48 -7.221 -10.605 -5.126 1.00 0.00 C ATOM 0 H LEU A 48 -4.004 -9.161 -2.686 1.00 0.00 H new ATOM 0 HA LEU A 48 -6.173 -11.180 -2.734 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.822 -10.837 -4.611 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.983 -12.149 -4.656 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.604 -9.217 -5.131 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.005 -9.941 -7.456 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.325 -10.244 -6.954 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.487 -11.589 -7.027 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.836 -10.012 -5.803 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.389 -11.665 -5.318 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.492 -10.376 -4.095 1.00 0.00 H new ATOM 785 N ILE A 49 -4.610 -13.035 -1.919 1.00 0.00 N ATOM 786 CA ILE A 49 -3.844 -13.971 -1.105 1.00 0.00 C ATOM 787 C ILE A 49 -2.408 -14.118 -1.606 1.00 0.00 C ATOM 788 O ILE A 49 -1.459 -13.992 -0.832 1.00 0.00 O ATOM 789 CB ILE A 49 -4.535 -15.353 -1.051 1.00 0.00 C ATOM 790 CG1 ILE A 49 -5.813 -15.256 -0.211 1.00 0.00 C ATOM 791 CG2 ILE A 49 -3.597 -16.421 -0.499 1.00 0.00 C ATOM 792 CD1 ILE A 49 -6.516 -16.577 -0.009 1.00 0.00 C ATOM 0 H ILE A 49 -5.462 -13.426 -2.321 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.805 -13.559 -0.097 1.00 0.00 H new ATOM 0 HB ILE A 49 -4.799 -15.651 -2.066 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -5.564 -14.836 0.763 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -6.500 -14.560 -0.692 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -4.113 -17.381 -0.474 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.717 -16.498 -1.138 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -3.289 -16.148 0.510 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -7.410 -16.425 0.595 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.798 -16.991 -0.977 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -5.848 -17.271 0.501 1.00 0.00 H new ATOM 804 N ASP A 50 -2.249 -14.339 -2.902 1.00 0.00 N ATOM 805 CA ASP A 50 -0.923 -14.592 -3.464 1.00 0.00 C ATOM 806 C ASP A 50 -0.222 -13.298 -3.857 1.00 0.00 C ATOM 807 O ASP A 50 0.789 -13.314 -4.560 1.00 0.00 O ATOM 808 CB ASP A 50 -1.001 -15.532 -4.666 1.00 0.00 C ATOM 809 CG ASP A 50 -1.284 -16.968 -4.270 1.00 0.00 C ATOM 810 OD1 ASP A 50 -0.355 -17.656 -3.793 1.00 0.00 O ATOM 811 OD2 ASP A 50 -2.435 -17.421 -4.452 1.00 0.00 O ATOM 0 H ASP A 50 -3.010 -14.349 -3.581 1.00 0.00 H new ATOM 0 HA ASP A 50 -0.334 -15.074 -2.683 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.782 -15.186 -5.343 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.061 -15.490 -5.216 1.00 0.00 H new ATOM 816 N GLU A 51 -0.761 -12.178 -3.400 1.00 0.00 N ATOM 817 CA GLU A 51 -0.111 -10.889 -3.586 1.00 0.00 C ATOM 818 C GLU A 51 0.736 -10.561 -2.370 1.00 0.00 C ATOM 819 O GLU A 51 1.513 -9.605 -2.376 1.00 0.00 O ATOM 820 CB GLU A 51 -1.146 -9.789 -3.815 1.00 0.00 C ATOM 821 CG GLU A 51 -1.742 -9.800 -5.210 1.00 0.00 C ATOM 822 CD GLU A 51 -0.720 -9.499 -6.282 1.00 0.00 C ATOM 823 OE1 GLU A 51 -0.063 -8.440 -6.208 1.00 0.00 O ATOM 824 OE2 GLU A 51 -0.577 -10.316 -7.213 1.00 0.00 O ATOM 0 H GLU A 51 -1.647 -12.135 -2.897 1.00 0.00 H new ATOM 0 HA GLU A 51 0.529 -10.946 -4.467 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.948 -9.898 -3.085 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.681 -8.820 -3.635 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.188 -10.776 -5.403 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.546 -9.066 -5.263 1.00 0.00 H new ATOM 831 N ALA A 52 0.584 -11.376 -1.335 1.00 0.00 N ATOM 832 CA ALA A 52 1.307 -11.174 -0.091 1.00 0.00 C ATOM 833 C ALA A 52 2.785 -11.473 -0.269 1.00 0.00 C ATOM 834 O ALA A 52 3.202 -12.634 -0.258 1.00 0.00 O ATOM 835 CB ALA A 52 0.719 -12.041 1.008 1.00 0.00 C ATOM 0 H ALA A 52 -0.036 -12.186 -1.335 1.00 0.00 H new ATOM 0 HA ALA A 52 1.205 -10.128 0.197 1.00 0.00 H new ATOM 0 HB1 ALA A 52 1.271 -11.879 1.934 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.328 -11.777 1.159 1.00 0.00 H new ATOM 0 HB3 ALA A 52 0.791 -13.090 0.722 1.00 0.00 H new ATOM 841 N THR A 53 3.567 -10.427 -0.464 1.00 0.00 N ATOM 842 CA THR A 53 5.002 -10.566 -0.610 1.00 0.00 C ATOM 843 C THR A 53 5.685 -10.364 0.737 1.00 0.00 C ATOM 844 O THR A 53 5.236 -9.546 1.544 1.00 0.00 O ATOM 845 CB THR A 53 5.556 -9.556 -1.636 1.00 0.00 C ATOM 846 OG1 THR A 53 5.110 -8.228 -1.322 1.00 0.00 O ATOM 847 CG2 THR A 53 5.120 -9.924 -3.045 1.00 0.00 C ATOM 0 H THR A 53 3.229 -9.467 -0.525 1.00 0.00 H new ATOM 0 HA THR A 53 5.210 -11.572 -0.974 1.00 0.00 H new ATOM 0 HB THR A 53 6.644 -9.588 -1.587 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.470 -7.598 -1.980 1.00 0.00 H new ATOM 0 HG21 THR A 53 5.522 -9.198 -3.752 1.00 0.00 H new ATOM 0 HG22 THR A 53 5.493 -10.918 -3.294 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.031 -9.921 -3.102 1.00 0.00 H new ATOM 855 N GLU A 54 6.745 -11.119 0.989 1.00 0.00 N ATOM 856 CA GLU A 54 7.485 -10.983 2.230 1.00 0.00 C ATOM 857 C GLU A 54 8.331 -9.718 2.178 1.00 0.00 C ATOM 858 O GLU A 54 9.140 -9.535 1.263 1.00 0.00 O ATOM 859 CB GLU A 54 8.356 -12.218 2.466 1.00 0.00 C ATOM 860 CG GLU A 54 7.546 -13.500 2.596 1.00 0.00 C ATOM 861 CD GLU A 54 8.411 -14.725 2.793 1.00 0.00 C ATOM 862 OE1 GLU A 54 8.881 -15.292 1.785 1.00 0.00 O ATOM 863 OE2 GLU A 54 8.634 -15.124 3.952 1.00 0.00 O ATOM 0 H GLU A 54 7.109 -11.828 0.352 1.00 0.00 H new ATOM 0 HA GLU A 54 6.787 -10.903 3.064 1.00 0.00 H new ATOM 0 HB2 GLU A 54 9.061 -12.322 1.641 1.00 0.00 H new ATOM 0 HB3 GLU A 54 8.945 -12.073 3.372 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.860 -13.407 3.438 1.00 0.00 H new ATOM 0 HG3 GLU A 54 6.937 -13.631 1.702 1.00 0.00 H new ATOM 870 N TRP A 55 8.139 -8.850 3.153 1.00 0.00 N ATOM 871 CA TRP A 55 8.754 -7.534 3.134 1.00 0.00 C ATOM 872 C TRP A 55 9.694 -7.355 4.323 1.00 0.00 C ATOM 873 O TRP A 55 9.770 -8.218 5.199 1.00 0.00 O ATOM 874 CB TRP A 55 7.655 -6.463 3.144 1.00 0.00 C ATOM 875 CG TRP A 55 8.106 -5.120 2.659 1.00 0.00 C ATOM 876 CD1 TRP A 55 8.221 -3.972 3.392 1.00 0.00 C ATOM 877 CD2 TRP A 55 8.512 -4.788 1.327 1.00 0.00 C ATOM 878 NE1 TRP A 55 8.670 -2.947 2.595 1.00 0.00 N ATOM 879 CE2 TRP A 55 8.854 -3.422 1.323 1.00 0.00 C ATOM 880 CE3 TRP A 55 8.613 -5.510 0.135 1.00 0.00 C ATOM 881 CZ2 TRP A 55 9.296 -2.770 0.176 1.00 0.00 C ATOM 882 CZ3 TRP A 55 9.054 -4.861 -1.001 1.00 0.00 C ATOM 883 CH2 TRP A 55 9.387 -3.502 -0.976 1.00 0.00 C ATOM 0 H TRP A 55 7.559 -9.033 3.972 1.00 0.00 H new ATOM 0 HA TRP A 55 9.349 -7.431 2.227 1.00 0.00 H new ATOM 0 HB2 TRP A 55 6.826 -6.802 2.523 1.00 0.00 H new ATOM 0 HB3 TRP A 55 7.271 -6.361 4.159 1.00 0.00 H new ATOM 0 HD1 TRP A 55 7.992 -3.884 4.444 1.00 0.00 H new ATOM 0 HE1 TRP A 55 8.839 -1.989 2.900 1.00 0.00 H new ATOM 0 HE3 TRP A 55 8.351 -6.557 0.103 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 9.558 -1.722 0.195 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 9.144 -5.412 -1.926 1.00 0.00 H new ATOM 0 HH2 TRP A 55 9.722 -3.022 -1.884 1.00 0.00 H new ATOM 894 N THR A 56 10.410 -6.238 4.332 1.00 0.00 N ATOM 895 CA THR A 56 11.318 -5.896 5.416 1.00 0.00 C ATOM 896 C THR A 56 10.577 -5.857 6.755 1.00 0.00 C ATOM 897 O THR A 56 9.553 -5.179 6.882 1.00 0.00 O ATOM 898 CB THR A 56 11.954 -4.520 5.154 1.00 0.00 C ATOM 899 OG1 THR A 56 12.308 -4.407 3.767 1.00 0.00 O ATOM 900 CG2 THR A 56 13.196 -4.317 6.008 1.00 0.00 C ATOM 0 H THR A 56 10.376 -5.543 3.586 1.00 0.00 H new ATOM 0 HA THR A 56 12.094 -6.661 5.461 1.00 0.00 H new ATOM 0 HB THR A 56 11.225 -3.754 5.417 1.00 0.00 H new ATOM 0 HG1 THR A 56 12.711 -3.529 3.603 1.00 0.00 H new ATOM 0 HG21 THR A 56 13.624 -3.336 5.801 1.00 0.00 H new ATOM 0 HG22 THR A 56 12.927 -4.380 7.062 1.00 0.00 H new ATOM 0 HG23 THR A 56 13.929 -5.089 5.774 1.00 0.00 H new ATOM 908 N PRO A 57 11.073 -6.596 7.762 1.00 0.00 N ATOM 909 CA PRO A 57 10.467 -6.616 9.095 1.00 0.00 C ATOM 910 C PRO A 57 10.469 -5.232 9.739 1.00 0.00 C ATOM 911 O PRO A 57 11.506 -4.567 9.800 1.00 0.00 O ATOM 912 CB PRO A 57 11.351 -7.582 9.890 1.00 0.00 C ATOM 913 CG PRO A 57 12.623 -7.678 9.121 1.00 0.00 C ATOM 914 CD PRO A 57 12.253 -7.472 7.680 1.00 0.00 C ATOM 0 HA PRO A 57 9.421 -6.921 9.063 1.00 0.00 H new ATOM 0 HB2 PRO A 57 11.529 -7.211 10.899 1.00 0.00 H new ATOM 0 HB3 PRO A 57 10.877 -8.558 9.988 1.00 0.00 H new ATOM 0 HG2 PRO A 57 13.337 -6.924 9.452 1.00 0.00 H new ATOM 0 HG3 PRO A 57 13.095 -8.650 9.267 1.00 0.00 H new ATOM 0 HD2 PRO A 57 13.063 -7.006 7.118 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.022 -8.415 7.184 1.00 0.00 H new ATOM 922 N ASN A 58 9.308 -4.808 10.215 1.00 0.00 N ATOM 923 CA ASN A 58 9.160 -3.486 10.808 1.00 0.00 C ATOM 924 C ASN A 58 9.988 -3.372 12.085 1.00 0.00 C ATOM 925 O ASN A 58 9.775 -4.112 13.049 1.00 0.00 O ATOM 926 CB ASN A 58 7.684 -3.187 11.089 1.00 0.00 C ATOM 927 CG ASN A 58 7.468 -1.830 11.738 1.00 0.00 C ATOM 928 OD1 ASN A 58 8.280 -0.917 11.586 1.00 0.00 O ATOM 929 ND2 ASN A 58 6.358 -1.677 12.444 1.00 0.00 N ATOM 0 H ASN A 58 8.452 -5.362 10.202 1.00 0.00 H new ATOM 0 HA ASN A 58 9.530 -2.747 10.098 1.00 0.00 H new ATOM 0 HB2 ASN A 58 7.126 -3.230 10.154 1.00 0.00 H new ATOM 0 HB3 ASN A 58 7.279 -3.963 11.738 1.00 0.00 H new ATOM 0 HD21 ASN A 58 6.153 -0.780 12.884 1.00 0.00 H new ATOM 0 HD22 ASN A 58 5.708 -2.456 12.548 1.00 0.00 H new ATOM 936 N ASN A 59 10.944 -2.453 12.074 1.00 0.00 N ATOM 937 CA ASN A 59 11.840 -2.243 13.208 1.00 0.00 C ATOM 938 C ASN A 59 11.135 -1.509 14.342 1.00 0.00 C ATOM 939 O ASN A 59 11.639 -1.421 15.462 1.00 0.00 O ATOM 940 CB ASN A 59 13.098 -1.489 12.745 1.00 0.00 C ATOM 941 CG ASN A 59 14.036 -1.121 13.880 1.00 0.00 C ATOM 942 OD1 ASN A 59 14.854 -1.936 14.313 1.00 0.00 O ATOM 943 ND2 ASN A 59 13.953 0.119 14.341 1.00 0.00 N ATOM 0 H ASN A 59 11.122 -1.833 11.283 1.00 0.00 H new ATOM 0 HA ASN A 59 12.143 -3.214 13.599 1.00 0.00 H new ATOM 0 HB2 ASN A 59 13.636 -2.105 12.025 1.00 0.00 H new ATOM 0 HB3 ASN A 59 12.796 -0.580 12.225 1.00 0.00 H new ATOM 0 HD21 ASN A 59 14.581 0.431 15.082 1.00 0.00 H new ATOM 0 HD22 ASN A 59 13.261 0.762 13.955 1.00 0.00 H new ATOM 950 N LEU A 60 9.951 -1.022 14.050 1.00 0.00 N ATOM 951 CA LEU A 60 9.134 -0.343 15.047 1.00 0.00 C ATOM 952 C LEU A 60 8.329 -1.363 15.843 1.00 0.00 C ATOM 953 O LEU A 60 7.131 -1.545 15.617 1.00 0.00 O ATOM 954 CB LEU A 60 8.193 0.674 14.389 1.00 0.00 C ATOM 955 CG LEU A 60 8.885 1.810 13.629 1.00 0.00 C ATOM 956 CD1 LEU A 60 7.854 2.710 12.966 1.00 0.00 C ATOM 957 CD2 LEU A 60 9.771 2.615 14.566 1.00 0.00 C ATOM 0 H LEU A 60 9.524 -1.081 13.126 1.00 0.00 H new ATOM 0 HA LEU A 60 9.798 0.197 15.722 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.537 0.144 13.698 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.558 1.109 15.161 1.00 0.00 H new ATOM 0 HG LEU A 60 9.513 1.374 12.852 1.00 0.00 H new ATOM 0 HD11 LEU A 60 8.362 3.512 12.430 1.00 0.00 H new ATOM 0 HD12 LEU A 60 7.258 2.126 12.265 1.00 0.00 H new ATOM 0 HD13 LEU A 60 7.202 3.138 13.727 1.00 0.00 H new ATOM 0 HD21 LEU A 60 10.255 3.418 14.009 1.00 0.00 H new ATOM 0 HD22 LEU A 60 9.164 3.042 15.364 1.00 0.00 H new ATOM 0 HD23 LEU A 60 10.531 1.964 14.997 1.00 0.00 H new ATOM 969 N GLU A 61 9.000 -2.041 16.760 1.00 0.00 N ATOM 970 CA GLU A 61 8.376 -3.081 17.559 1.00 0.00 C ATOM 971 C GLU A 61 7.805 -2.457 18.835 1.00 0.00 C ATOM 972 O GLU A 61 8.011 -1.267 19.086 1.00 0.00 O ATOM 973 CB GLU A 61 9.420 -4.164 17.879 1.00 0.00 C ATOM 974 CG GLU A 61 8.888 -5.593 17.858 1.00 0.00 C ATOM 975 CD GLU A 61 8.087 -5.941 19.092 1.00 0.00 C ATOM 976 OE1 GLU A 61 8.700 -6.205 20.142 1.00 0.00 O ATOM 977 OE2 GLU A 61 6.840 -5.921 19.031 1.00 0.00 O ATOM 0 H GLU A 61 9.986 -1.887 16.970 1.00 0.00 H new ATOM 0 HA GLU A 61 7.557 -3.548 17.012 1.00 0.00 H new ATOM 0 HB2 GLU A 61 10.236 -4.085 17.161 1.00 0.00 H new ATOM 0 HB3 GLU A 61 9.841 -3.963 18.864 1.00 0.00 H new ATOM 0 HG2 GLU A 61 8.264 -5.730 16.975 1.00 0.00 H new ATOM 0 HG3 GLU A 61 9.725 -6.286 17.767 1.00 0.00 H new TER 984 GLU A 61