USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 443 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 47 ASN : amide:sc= 1.51 K(o=2.4,f=-3.4!) USER MOD Set 1.2: A 49 THR OG1 : rot -170:sc= 0.878 USER MOD Single : A 1 LEU N :NH3+ 137:sc= -0.342 (180deg=-2.09!) USER MOD Single : A 2 THR OG1 : rot 151:sc= 1.16 USER MOD Single : A 3 LYS NZ :NH3+ -167:sc= 0.249 (180deg=0.187) USER MOD Single : A 5 GLN : amide:sc= 0.238 K(o=0.24,f=-5.3!) USER MOD Single : A 9 SER OG : rot 95:sc= 1.18 USER MOD Single : A 10 HIS : no HE2:sc= 0.521 K(o=0.52,f=-2.8!) USER MOD Single : A 15 HIS : no HE2:sc= 0.955 K(o=0.96,f=-3.4!) USER MOD Single : A 18 SER OG : rot -89:sc= 1.07 USER MOD Single : A 22 LYS NZ :NH3+ 176:sc= 0.282 (180deg=0.277) USER MOD Single : A 26 ASN : amide:sc= 1.02 K(o=1,f=0) USER MOD Single : A 28 ASN : amide:sc= 0.931 K(o=0.93,f=-2.3!) USER MOD Single : A 29 TYR OH : rot -149:sc= 1.22 USER MOD Single : A 33 GLN : amide:sc= 2.57 K(o=2.6,f=-6.7!) USER MOD Single : A 35 TYR OH : rot -10:sc= 1.29 USER MOD Single : A 37 SER OG : rot 123:sc= 1.68 USER MOD Single : A 40 TYR OH : rot -158:sc= 1.28 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 THR OG1 : rot -79:sc= 1.92 USER MOD Single : A 56 SER OG : rot 61:sc= 1.11 USER MOD Single : A 59 HIS : no HD1:sc= -0.223 X(o=-0.22,f=-0.22) USER MOD Single : A 60 HIS : no HE2:sc= -2.03 K(o=-2,f=-4.4!) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 15.778 9.506 0.904 1.00 0.00 N ATOM 2 CA LEU A 1 14.462 9.001 0.527 1.00 0.00 C ATOM 3 C LEU A 1 13.527 8.910 1.747 1.00 0.00 C ATOM 4 O LEU A 1 13.986 8.880 2.890 1.00 0.00 O ATOM 5 CB LEU A 1 14.616 7.674 -0.251 1.00 0.00 C ATOM 6 CG LEU A 1 14.910 6.391 0.562 1.00 0.00 C ATOM 7 CD1 LEU A 1 15.082 5.203 -0.391 1.00 0.00 C ATOM 8 CD2 LEU A 1 16.178 6.467 1.420 1.00 0.00 C ATOM 0 H1 LEU A 1 16.514 8.949 0.424 1.00 0.00 H new ATOM 0 H2 LEU A 1 15.860 10.504 0.623 1.00 0.00 H new ATOM 0 H3 LEU A 1 15.899 9.425 1.934 1.00 0.00 H new ATOM 0 HA LEU A 1 13.976 9.705 -0.148 1.00 0.00 H new ATOM 0 HB2 LEU A 1 13.699 7.509 -0.817 1.00 0.00 H new ATOM 0 HB3 LEU A 1 15.419 7.802 -0.976 1.00 0.00 H new ATOM 0 HG LEU A 1 14.057 6.273 1.231 1.00 0.00 H new ATOM 0 HD11 LEU A 1 15.289 4.301 0.185 1.00 0.00 H new ATOM 0 HD12 LEU A 1 14.167 5.063 -0.967 1.00 0.00 H new ATOM 0 HD13 LEU A 1 15.912 5.398 -1.070 1.00 0.00 H new ATOM 0 HD21 LEU A 1 16.311 5.528 1.957 1.00 0.00 H new ATOM 0 HD22 LEU A 1 17.041 6.643 0.778 1.00 0.00 H new ATOM 0 HD23 LEU A 1 16.085 7.284 2.135 1.00 0.00 H new ATOM 20 N THR A 2 12.211 8.889 1.513 1.00 0.00 N ATOM 21 CA THR A 2 11.185 8.885 2.560 1.00 0.00 C ATOM 22 C THR A 2 10.894 7.474 3.071 1.00 0.00 C ATOM 23 O THR A 2 11.225 6.495 2.407 1.00 0.00 O ATOM 24 CB THR A 2 9.869 9.476 2.038 1.00 0.00 C ATOM 25 OG1 THR A 2 9.402 8.669 0.985 1.00 0.00 O ATOM 26 CG2 THR A 2 10.015 10.918 1.552 1.00 0.00 C ATOM 0 H THR A 2 11.821 8.874 0.570 1.00 0.00 H new ATOM 0 HA THR A 2 11.579 9.491 3.376 1.00 0.00 H new ATOM 0 HB THR A 2 9.161 9.494 2.866 1.00 0.00 H new ATOM 0 HG1 THR A 2 8.423 8.708 0.952 1.00 0.00 H new ATOM 0 HG21 THR A 2 9.051 11.281 1.195 1.00 0.00 H new ATOM 0 HG22 THR A 2 10.357 11.546 2.374 1.00 0.00 H new ATOM 0 HG23 THR A 2 10.741 10.956 0.740 1.00 0.00 H new ATOM 34 N LYS A 3 10.196 7.348 4.211 1.00 0.00 N ATOM 35 CA LYS A 3 9.844 6.044 4.795 1.00 0.00 C ATOM 36 C LYS A 3 9.090 5.126 3.820 1.00 0.00 C ATOM 37 O LYS A 3 9.353 3.925 3.801 1.00 0.00 O ATOM 38 CB LYS A 3 9.065 6.247 6.104 1.00 0.00 C ATOM 39 CG LYS A 3 8.881 4.946 6.911 1.00 0.00 C ATOM 40 CD LYS A 3 10.175 4.297 7.426 1.00 0.00 C ATOM 41 CE LYS A 3 10.937 5.215 8.386 1.00 0.00 C ATOM 42 NZ LYS A 3 12.235 4.628 8.761 1.00 0.00 N ATOM 0 H LYS A 3 9.861 8.145 4.752 1.00 0.00 H new ATOM 0 HA LYS A 3 10.777 5.526 5.016 1.00 0.00 H new ATOM 0 HB2 LYS A 3 9.588 6.978 6.720 1.00 0.00 H new ATOM 0 HB3 LYS A 3 8.085 6.666 5.875 1.00 0.00 H new ATOM 0 HG2 LYS A 3 8.237 5.157 7.764 1.00 0.00 H new ATOM 0 HG3 LYS A 3 8.356 4.223 6.286 1.00 0.00 H new ATOM 0 HD2 LYS A 3 9.935 3.362 7.933 1.00 0.00 H new ATOM 0 HD3 LYS A 3 10.815 4.045 6.581 1.00 0.00 H new ATOM 0 HE2 LYS A 3 11.095 6.186 7.917 1.00 0.00 H new ATOM 0 HE3 LYS A 3 10.340 5.387 9.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 12.631 5.149 9.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 12.102 3.631 9.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 12.890 4.689 7.955 1.00 0.00 H new ATOM 56 N CYS A 4 8.226 5.685 2.965 1.00 0.00 N ATOM 57 CA CYS A 4 7.584 4.935 1.887 1.00 0.00 C ATOM 58 C CYS A 4 8.637 4.348 0.936 1.00 0.00 C ATOM 59 O CYS A 4 8.781 3.128 0.851 1.00 0.00 O ATOM 60 CB CYS A 4 6.562 5.815 1.156 1.00 0.00 C ATOM 61 SG CYS A 4 5.435 4.842 0.130 1.00 0.00 S ATOM 0 H CYS A 4 7.955 6.668 3.003 1.00 0.00 H new ATOM 0 HA CYS A 4 7.037 4.095 2.314 1.00 0.00 H new ATOM 0 HB2 CYS A 4 5.987 6.384 1.886 1.00 0.00 H new ATOM 0 HB3 CYS A 4 7.088 6.537 0.531 1.00 0.00 H new ATOM 66 N GLN A 5 9.406 5.211 0.262 1.00 0.00 N ATOM 67 CA GLN A 5 10.469 4.810 -0.654 1.00 0.00 C ATOM 68 C GLN A 5 11.528 3.899 0.006 1.00 0.00 C ATOM 69 O GLN A 5 12.035 3.005 -0.671 1.00 0.00 O ATOM 70 CB GLN A 5 11.094 6.066 -1.295 1.00 0.00 C ATOM 71 CG GLN A 5 10.490 6.445 -2.662 1.00 0.00 C ATOM 72 CD GLN A 5 9.122 7.132 -2.641 1.00 0.00 C ATOM 73 OE1 GLN A 5 8.448 7.241 -1.628 1.00 0.00 O ATOM 74 NE2 GLN A 5 8.687 7.641 -3.786 1.00 0.00 N ATOM 0 H GLN A 5 9.302 6.223 0.342 1.00 0.00 H new ATOM 0 HA GLN A 5 10.025 4.197 -1.438 1.00 0.00 H new ATOM 0 HB2 GLN A 5 10.974 6.907 -0.612 1.00 0.00 H new ATOM 0 HB3 GLN A 5 12.165 5.904 -1.416 1.00 0.00 H new ATOM 0 HG2 GLN A 5 11.193 7.102 -3.175 1.00 0.00 H new ATOM 0 HG3 GLN A 5 10.406 5.538 -3.261 1.00 0.00 H new ATOM 0 HE21 GLN A 5 9.250 7.550 -4.631 1.00 0.00 H new ATOM 0 HE22 GLN A 5 7.789 8.124 -3.821 1.00 0.00 H new ATOM 83 N GLU A 6 11.822 4.054 1.307 1.00 0.00 N ATOM 84 CA GLU A 6 12.639 3.119 2.093 1.00 0.00 C ATOM 85 C GLU A 6 11.988 1.742 2.137 1.00 0.00 C ATOM 86 O GLU A 6 12.597 0.779 1.692 1.00 0.00 O ATOM 87 CB GLU A 6 12.837 3.582 3.546 1.00 0.00 C ATOM 88 CG GLU A 6 13.786 4.769 3.722 1.00 0.00 C ATOM 89 CD GLU A 6 14.113 5.017 5.193 1.00 0.00 C ATOM 90 OE1 GLU A 6 13.163 5.332 5.945 1.00 0.00 O ATOM 91 OE2 GLU A 6 15.304 4.887 5.551 1.00 0.00 O ATOM 0 H GLU A 6 11.491 4.850 1.852 1.00 0.00 H new ATOM 0 HA GLU A 6 13.608 3.081 1.595 1.00 0.00 H new ATOM 0 HB2 GLU A 6 11.865 3.848 3.962 1.00 0.00 H new ATOM 0 HB3 GLU A 6 13.216 2.743 4.130 1.00 0.00 H new ATOM 0 HG2 GLU A 6 14.708 4.583 3.171 1.00 0.00 H new ATOM 0 HG3 GLU A 6 13.333 5.663 3.294 1.00 0.00 H new ATOM 98 N GLU A 7 10.760 1.638 2.659 1.00 0.00 N ATOM 99 CA GLU A 7 10.063 0.357 2.791 1.00 0.00 C ATOM 100 C GLU A 7 9.928 -0.357 1.444 1.00 0.00 C ATOM 101 O GLU A 7 10.183 -1.556 1.364 1.00 0.00 O ATOM 102 CB GLU A 7 8.677 0.553 3.419 1.00 0.00 C ATOM 103 CG GLU A 7 8.728 0.859 4.920 1.00 0.00 C ATOM 104 CD GLU A 7 7.317 1.050 5.480 1.00 0.00 C ATOM 105 OE1 GLU A 7 6.630 1.992 5.018 1.00 0.00 O ATOM 106 OE2 GLU A 7 6.933 0.243 6.353 1.00 0.00 O ATOM 0 H GLU A 7 10.225 2.437 3.000 1.00 0.00 H new ATOM 0 HA GLU A 7 10.666 -0.270 3.447 1.00 0.00 H new ATOM 0 HB2 GLU A 7 8.166 1.368 2.907 1.00 0.00 H new ATOM 0 HB3 GLU A 7 8.083 -0.347 3.259 1.00 0.00 H new ATOM 0 HG2 GLU A 7 9.226 0.045 5.446 1.00 0.00 H new ATOM 0 HG3 GLU A 7 9.318 1.759 5.093 1.00 0.00 H new ATOM 113 N VAL A 8 9.593 0.374 0.376 1.00 0.00 N ATOM 114 CA VAL A 8 9.521 -0.180 -0.987 1.00 0.00 C ATOM 115 C VAL A 8 10.895 -0.655 -1.486 1.00 0.00 C ATOM 116 O VAL A 8 10.986 -1.646 -2.210 1.00 0.00 O ATOM 117 CB VAL A 8 8.886 0.839 -1.952 1.00 0.00 C ATOM 118 CG1 VAL A 8 8.747 0.311 -3.386 1.00 0.00 C ATOM 119 CG2 VAL A 8 7.453 1.149 -1.508 1.00 0.00 C ATOM 0 H VAL A 8 9.364 1.366 0.428 1.00 0.00 H new ATOM 0 HA VAL A 8 8.880 -1.061 -0.956 1.00 0.00 H new ATOM 0 HB VAL A 8 9.548 1.705 -1.932 1.00 0.00 H new ATOM 0 HG11 VAL A 8 8.293 1.078 -4.014 1.00 0.00 H new ATOM 0 HG12 VAL A 8 9.732 0.058 -3.778 1.00 0.00 H new ATOM 0 HG13 VAL A 8 8.117 -0.578 -3.387 1.00 0.00 H new ATOM 0 HG21 VAL A 8 7.008 1.870 -2.193 1.00 0.00 H new ATOM 0 HG22 VAL A 8 6.864 0.232 -1.513 1.00 0.00 H new ATOM 0 HG23 VAL A 8 7.466 1.566 -0.501 1.00 0.00 H new ATOM 129 N SER A 9 11.965 0.017 -1.051 1.00 0.00 N ATOM 130 CA SER A 9 13.371 -0.366 -1.259 1.00 0.00 C ATOM 131 C SER A 9 13.907 -1.393 -0.244 1.00 0.00 C ATOM 132 O SER A 9 15.112 -1.656 -0.228 1.00 0.00 O ATOM 133 CB SER A 9 14.282 0.872 -1.225 1.00 0.00 C ATOM 134 OG SER A 9 13.806 1.897 -2.071 1.00 0.00 O ATOM 0 H SER A 9 11.874 0.883 -0.520 1.00 0.00 H new ATOM 0 HA SER A 9 13.388 -0.841 -2.240 1.00 0.00 H new ATOM 0 HB2 SER A 9 14.349 1.246 -0.203 1.00 0.00 H new ATOM 0 HB3 SER A 9 15.290 0.590 -1.528 1.00 0.00 H new ATOM 0 HG SER A 9 13.256 2.520 -1.552 1.00 0.00 H new ATOM 140 N HIS A 10 13.067 -1.952 0.638 1.00 0.00 N ATOM 141 CA HIS A 10 13.461 -2.939 1.656 1.00 0.00 C ATOM 142 C HIS A 10 12.616 -4.216 1.560 1.00 0.00 C ATOM 143 O HIS A 10 13.148 -5.313 1.713 1.00 0.00 O ATOM 144 CB HIS A 10 13.400 -2.312 3.059 1.00 0.00 C ATOM 145 CG HIS A 10 14.351 -1.158 3.287 1.00 0.00 C ATOM 146 ND1 HIS A 10 15.373 -0.752 2.454 1.00 0.00 N ATOM 147 CD2 HIS A 10 14.313 -0.285 4.341 1.00 0.00 C ATOM 148 CE1 HIS A 10 15.928 0.346 2.994 1.00 0.00 C ATOM 149 NE2 HIS A 10 15.319 0.667 4.146 1.00 0.00 N ATOM 0 H HIS A 10 12.073 -1.726 0.665 1.00 0.00 H new ATOM 0 HA HIS A 10 14.493 -3.235 1.466 1.00 0.00 H new ATOM 0 HB2 HIS A 10 12.383 -1.966 3.242 1.00 0.00 H new ATOM 0 HB3 HIS A 10 13.610 -3.087 3.796 1.00 0.00 H new ATOM 0 HD1 HIS A 10 15.656 -1.204 1.585 1.00 0.00 H new ATOM 0 HD2 HIS A 10 13.628 -0.324 5.175 1.00 0.00 H new ATOM 0 HE1 HIS A 10 16.751 0.895 2.561 1.00 0.00 H new ATOM 157 N ILE A 11 11.318 -4.082 1.272 1.00 0.00 N ATOM 158 CA ILE A 11 10.425 -5.177 0.903 1.00 0.00 C ATOM 159 C ILE A 11 10.585 -5.361 -0.615 1.00 0.00 C ATOM 160 O ILE A 11 10.174 -4.466 -1.356 1.00 0.00 O ATOM 161 CB ILE A 11 8.957 -4.850 1.268 1.00 0.00 C ATOM 162 CG1 ILE A 11 8.748 -4.507 2.760 1.00 0.00 C ATOM 163 CG2 ILE A 11 8.035 -6.011 0.848 1.00 0.00 C ATOM 164 CD1 ILE A 11 9.173 -5.604 3.745 1.00 0.00 C ATOM 0 H ILE A 11 10.847 -3.177 1.291 1.00 0.00 H new ATOM 0 HA ILE A 11 10.678 -6.089 1.444 1.00 0.00 H new ATOM 0 HB ILE A 11 8.696 -3.949 0.713 1.00 0.00 H new ATOM 0 HG12 ILE A 11 9.305 -3.598 2.990 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.693 -4.284 2.921 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.005 -5.770 1.110 1.00 0.00 H new ATOM 0 HG22 ILE A 11 8.110 -6.164 -0.229 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.337 -6.921 1.366 1.00 0.00 H new ATOM 0 HD11 ILE A 11 8.987 -5.269 4.765 1.00 0.00 H new ATOM 0 HD12 ILE A 11 8.599 -6.510 3.551 1.00 0.00 H new ATOM 0 HD13 ILE A 11 10.235 -5.814 3.620 1.00 0.00 H new ATOM 176 N PRO A 12 11.194 -6.453 -1.112 1.00 0.00 N ATOM 177 CA PRO A 12 11.342 -6.668 -2.549 1.00 0.00 C ATOM 178 C PRO A 12 9.990 -7.001 -3.197 1.00 0.00 C ATOM 179 O PRO A 12 9.057 -7.428 -2.522 1.00 0.00 O ATOM 180 CB PRO A 12 12.328 -7.836 -2.666 1.00 0.00 C ATOM 181 CG PRO A 12 12.039 -8.660 -1.412 1.00 0.00 C ATOM 182 CD PRO A 12 11.715 -7.592 -0.367 1.00 0.00 C ATOM 0 HA PRO A 12 11.703 -5.780 -3.068 1.00 0.00 H new ATOM 0 HB2 PRO A 12 12.162 -8.414 -3.575 1.00 0.00 H new ATOM 0 HB3 PRO A 12 13.361 -7.490 -2.692 1.00 0.00 H new ATOM 0 HG2 PRO A 12 11.204 -9.344 -1.562 1.00 0.00 H new ATOM 0 HG3 PRO A 12 12.898 -9.264 -1.119 1.00 0.00 H new ATOM 0 HD2 PRO A 12 10.982 -7.958 0.352 1.00 0.00 H new ATOM 0 HD3 PRO A 12 12.605 -7.315 0.198 1.00 0.00 H new ATOM 190 N ALA A 13 9.911 -6.899 -4.529 1.00 0.00 N ATOM 191 CA ALA A 13 8.718 -7.290 -5.287 1.00 0.00 C ATOM 192 C ALA A 13 8.321 -8.765 -5.059 1.00 0.00 C ATOM 193 O ALA A 13 7.144 -9.114 -5.143 1.00 0.00 O ATOM 194 CB ALA A 13 8.959 -6.996 -6.770 1.00 0.00 C ATOM 0 H ALA A 13 10.671 -6.544 -5.110 1.00 0.00 H new ATOM 0 HA ALA A 13 7.873 -6.703 -4.927 1.00 0.00 H new ATOM 0 HB1 ALA A 13 8.079 -7.282 -7.345 1.00 0.00 H new ATOM 0 HB2 ALA A 13 9.149 -5.931 -6.904 1.00 0.00 H new ATOM 0 HB3 ALA A 13 9.821 -7.565 -7.118 1.00 0.00 H new ATOM 200 N VAL A 14 9.285 -9.625 -4.705 1.00 0.00 N ATOM 201 CA VAL A 14 9.054 -10.998 -4.240 1.00 0.00 C ATOM 202 C VAL A 14 8.592 -10.959 -2.772 1.00 0.00 C ATOM 203 O VAL A 14 9.298 -11.390 -1.864 1.00 0.00 O ATOM 204 CB VAL A 14 10.298 -11.893 -4.461 1.00 0.00 C ATOM 205 CG1 VAL A 14 9.961 -13.375 -4.224 1.00 0.00 C ATOM 206 CG2 VAL A 14 10.835 -11.783 -5.899 1.00 0.00 C ATOM 0 H VAL A 14 10.274 -9.378 -4.735 1.00 0.00 H new ATOM 0 HA VAL A 14 8.262 -11.457 -4.832 1.00 0.00 H new ATOM 0 HB VAL A 14 11.048 -11.544 -3.751 1.00 0.00 H new ATOM 0 HG11 VAL A 14 10.852 -13.981 -4.386 1.00 0.00 H new ATOM 0 HG12 VAL A 14 9.612 -13.510 -3.200 1.00 0.00 H new ATOM 0 HG13 VAL A 14 9.180 -13.686 -4.918 1.00 0.00 H new ATOM 0 HG21 VAL A 14 11.708 -12.426 -6.012 1.00 0.00 H new ATOM 0 HG22 VAL A 14 10.061 -12.094 -6.601 1.00 0.00 H new ATOM 0 HG23 VAL A 14 11.117 -10.750 -6.104 1.00 0.00 H new ATOM 216 N HIS A 15 7.379 -10.438 -2.551 1.00 0.00 N ATOM 217 CA HIS A 15 6.706 -10.380 -1.250 1.00 0.00 C ATOM 218 C HIS A 15 5.580 -11.417 -0.964 1.00 0.00 C ATOM 219 O HIS A 15 4.936 -11.238 0.070 1.00 0.00 O ATOM 220 CB HIS A 15 6.240 -8.934 -0.995 1.00 0.00 C ATOM 221 CG HIS A 15 5.019 -8.508 -1.771 1.00 0.00 C ATOM 222 ND1 HIS A 15 3.721 -8.580 -1.321 1.00 0.00 N ATOM 223 CD2 HIS A 15 4.999 -7.891 -2.993 1.00 0.00 C ATOM 224 CE1 HIS A 15 2.936 -8.024 -2.258 1.00 0.00 C ATOM 225 NE2 HIS A 15 3.668 -7.590 -3.294 1.00 0.00 N ATOM 0 H HIS A 15 6.820 -10.031 -3.301 1.00 0.00 H new ATOM 0 HA HIS A 15 7.463 -10.692 -0.530 1.00 0.00 H new ATOM 0 HB2 HIS A 15 6.034 -8.818 0.069 1.00 0.00 H new ATOM 0 HB3 HIS A 15 7.059 -8.257 -1.237 1.00 0.00 H new ATOM 0 HD1 HIS A 15 3.411 -8.983 -0.436 1.00 0.00 H new ATOM 0 HD2 HIS A 15 5.857 -7.676 -3.613 1.00 0.00 H new ATOM 0 HE1 HIS A 15 1.862 -7.938 -2.187 1.00 0.00 H new ATOM 233 N PRO A 16 5.293 -12.479 -1.768 1.00 0.00 N ATOM 234 CA PRO A 16 4.279 -13.499 -1.450 1.00 0.00 C ATOM 235 C PRO A 16 4.241 -13.980 0.011 1.00 0.00 C ATOM 236 O PRO A 16 5.158 -14.637 0.500 1.00 0.00 O ATOM 237 CB PRO A 16 4.518 -14.658 -2.419 1.00 0.00 C ATOM 238 CG PRO A 16 5.012 -13.937 -3.663 1.00 0.00 C ATOM 239 CD PRO A 16 5.856 -12.807 -3.077 1.00 0.00 C ATOM 0 HA PRO A 16 3.295 -13.046 -1.570 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.256 -15.363 -2.037 1.00 0.00 H new ATOM 0 HB3 PRO A 16 3.606 -15.223 -2.611 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.601 -14.592 -4.305 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.187 -13.557 -4.266 1.00 0.00 H new ATOM 0 HD2 PRO A 16 6.897 -13.115 -2.981 1.00 0.00 H new ATOM 0 HD3 PRO A 16 5.840 -11.936 -3.732 1.00 0.00 H new ATOM 247 N GLY A 17 3.155 -13.621 0.699 1.00 0.00 N ATOM 248 CA GLY A 17 2.881 -13.841 2.123 1.00 0.00 C ATOM 249 C GLY A 17 2.788 -12.528 2.911 1.00 0.00 C ATOM 250 O GLY A 17 2.079 -12.450 3.916 1.00 0.00 O ATOM 0 H GLY A 17 2.385 -13.132 0.242 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.947 -14.392 2.229 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.668 -14.463 2.550 1.00 0.00 H new ATOM 254 N SER A 18 3.444 -11.473 2.421 1.00 0.00 N ATOM 255 CA SER A 18 3.529 -10.144 3.026 1.00 0.00 C ATOM 256 C SER A 18 2.776 -9.086 2.216 1.00 0.00 C ATOM 257 O SER A 18 2.405 -9.287 1.050 1.00 0.00 O ATOM 258 CB SER A 18 5.019 -9.749 3.115 1.00 0.00 C ATOM 259 OG SER A 18 5.227 -8.454 3.662 1.00 0.00 O ATOM 0 H SER A 18 3.959 -11.528 1.542 1.00 0.00 H new ATOM 0 HA SER A 18 3.067 -10.187 4.012 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.546 -10.482 3.725 1.00 0.00 H new ATOM 0 HB3 SER A 18 5.458 -9.789 2.118 1.00 0.00 H new ATOM 0 HG SER A 18 5.209 -7.788 2.943 1.00 0.00 H new ATOM 265 N PHE A 19 2.575 -7.946 2.876 1.00 0.00 N ATOM 266 CA PHE A 19 2.195 -6.669 2.293 1.00 0.00 C ATOM 267 C PHE A 19 3.455 -6.072 1.631 1.00 0.00 C ATOM 268 O PHE A 19 4.578 -6.470 1.968 1.00 0.00 O ATOM 269 CB PHE A 19 1.704 -5.762 3.440 1.00 0.00 C ATOM 270 CG PHE A 19 1.554 -4.289 3.107 1.00 0.00 C ATOM 271 CD1 PHE A 19 0.523 -3.859 2.256 1.00 0.00 C ATOM 272 CD2 PHE A 19 2.464 -3.345 3.625 1.00 0.00 C ATOM 273 CE1 PHE A 19 0.408 -2.504 1.908 1.00 0.00 C ATOM 274 CE2 PHE A 19 2.335 -1.983 3.294 1.00 0.00 C ATOM 275 CZ PHE A 19 1.308 -1.562 2.433 1.00 0.00 C ATOM 0 H PHE A 19 2.680 -7.891 3.889 1.00 0.00 H new ATOM 0 HA PHE A 19 1.405 -6.770 1.549 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.740 -6.136 3.785 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.399 -5.856 4.274 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.186 -4.575 1.867 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.262 -3.668 4.277 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.374 -2.185 1.235 1.00 0.00 H new ATOM 0 HE2 PHE A 19 3.026 -1.261 3.702 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.211 -0.518 2.176 1.00 0.00 H new ATOM 285 N ARG A 20 3.261 -5.102 0.728 1.00 0.00 N ATOM 286 CA ARG A 20 4.307 -4.251 0.159 1.00 0.00 C ATOM 287 C ARG A 20 3.704 -2.869 -0.139 1.00 0.00 C ATOM 288 O ARG A 20 2.677 -2.813 -0.819 1.00 0.00 O ATOM 289 CB ARG A 20 4.894 -4.899 -1.105 1.00 0.00 C ATOM 290 CG ARG A 20 6.075 -4.080 -1.644 1.00 0.00 C ATOM 291 CD ARG A 20 6.788 -4.799 -2.790 1.00 0.00 C ATOM 292 NE ARG A 20 8.068 -4.136 -3.084 1.00 0.00 N ATOM 293 CZ ARG A 20 8.476 -3.576 -4.210 1.00 0.00 C ATOM 294 NH1 ARG A 20 7.747 -3.602 -5.301 1.00 0.00 N ATOM 295 NH2 ARG A 20 9.639 -2.968 -4.245 1.00 0.00 N ATOM 0 H ARG A 20 2.335 -4.882 0.362 1.00 0.00 H new ATOM 0 HA ARG A 20 5.126 -4.134 0.868 1.00 0.00 H new ATOM 0 HB2 ARG A 20 5.223 -5.913 -0.879 1.00 0.00 H new ATOM 0 HB3 ARG A 20 4.122 -4.978 -1.870 1.00 0.00 H new ATOM 0 HG2 ARG A 20 5.717 -3.110 -1.990 1.00 0.00 H new ATOM 0 HG3 ARG A 20 6.783 -3.889 -0.838 1.00 0.00 H new ATOM 0 HD2 ARG A 20 6.962 -5.841 -2.523 1.00 0.00 H new ATOM 0 HD3 ARG A 20 6.157 -4.799 -3.679 1.00 0.00 H new ATOM 0 HE ARG A 20 8.733 -4.104 -2.312 1.00 0.00 H new ATOM 0 HH11 ARG A 20 6.837 -4.064 -5.296 1.00 0.00 H new ATOM 0 HH12 ARG A 20 8.090 -3.161 -6.154 1.00 0.00 H new ATOM 0 HH21 ARG A 20 10.220 -2.930 -3.408 1.00 0.00 H new ATOM 0 HH22 ARG A 20 9.961 -2.533 -5.110 1.00 0.00 H new ATOM 309 N PRO A 21 4.280 -1.762 0.372 1.00 0.00 N ATOM 310 CA PRO A 21 3.754 -0.430 0.102 1.00 0.00 C ATOM 311 C PRO A 21 4.003 0.041 -1.340 1.00 0.00 C ATOM 312 O PRO A 21 4.755 -0.570 -2.098 1.00 0.00 O ATOM 313 CB PRO A 21 4.389 0.490 1.150 1.00 0.00 C ATOM 314 CG PRO A 21 5.674 -0.226 1.562 1.00 0.00 C ATOM 315 CD PRO A 21 5.398 -1.706 1.303 1.00 0.00 C ATOM 0 HA PRO A 21 2.667 -0.422 0.182 1.00 0.00 H new ATOM 0 HB2 PRO A 21 4.600 1.476 0.736 1.00 0.00 H new ATOM 0 HB3 PRO A 21 3.726 0.637 2.003 1.00 0.00 H new ATOM 0 HG2 PRO A 21 6.526 0.125 0.980 1.00 0.00 H new ATOM 0 HG3 PRO A 21 5.908 -0.045 2.611 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.276 -2.197 0.884 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.156 -2.224 2.231 1.00 0.00 H new ATOM 323 N LYS A 22 3.354 1.155 -1.693 1.00 0.00 N ATOM 324 CA LYS A 22 3.367 1.885 -2.965 1.00 0.00 C ATOM 325 C LYS A 22 3.481 3.392 -2.697 1.00 0.00 C ATOM 326 O LYS A 22 2.868 3.896 -1.754 1.00 0.00 O ATOM 327 CB LYS A 22 2.059 1.577 -3.728 1.00 0.00 C ATOM 328 CG LYS A 22 1.757 0.084 -3.948 1.00 0.00 C ATOM 329 CD LYS A 22 2.840 -0.572 -4.808 1.00 0.00 C ATOM 330 CE LYS A 22 2.656 -2.085 -4.935 1.00 0.00 C ATOM 331 NZ LYS A 22 3.110 -2.789 -3.719 1.00 0.00 N ATOM 0 H LYS A 22 2.740 1.617 -1.022 1.00 0.00 H new ATOM 0 HA LYS A 22 4.222 1.573 -3.565 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.227 2.022 -3.182 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.101 2.068 -4.700 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.694 -0.424 -2.986 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.786 -0.027 -4.431 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.830 -0.124 -5.802 1.00 0.00 H new ATOM 0 HD3 LYS A 22 3.818 -0.364 -4.374 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.605 -2.311 -5.117 1.00 0.00 H new ATOM 0 HE3 LYS A 22 3.214 -2.449 -5.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.909 -3.805 -3.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 4.133 -2.648 -3.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 2.608 -2.410 -2.891 1.00 0.00 H new ATOM 345 N CYS A 23 4.206 4.132 -3.539 1.00 0.00 N ATOM 346 CA CYS A 23 4.508 5.554 -3.323 1.00 0.00 C ATOM 347 C CYS A 23 4.461 6.346 -4.624 1.00 0.00 C ATOM 348 O CYS A 23 4.581 5.791 -5.715 1.00 0.00 O ATOM 349 CB CYS A 23 5.924 5.698 -2.733 1.00 0.00 C ATOM 350 SG CYS A 23 6.477 4.441 -1.557 1.00 0.00 S ATOM 0 H CYS A 23 4.606 3.759 -4.400 1.00 0.00 H new ATOM 0 HA CYS A 23 3.754 5.946 -2.640 1.00 0.00 H new ATOM 0 HB2 CYS A 23 6.632 5.717 -3.561 1.00 0.00 H new ATOM 0 HB3 CYS A 23 5.985 6.668 -2.240 1.00 0.00 H new ATOM 355 N ASP A 24 4.346 7.667 -4.487 1.00 0.00 N ATOM 356 CA ASP A 24 4.421 8.620 -5.582 1.00 0.00 C ATOM 357 C ASP A 24 5.710 9.464 -5.555 1.00 0.00 C ATOM 358 O ASP A 24 6.535 9.365 -4.640 1.00 0.00 O ATOM 359 CB ASP A 24 3.132 9.455 -5.632 1.00 0.00 C ATOM 360 CG ASP A 24 2.966 10.354 -4.414 1.00 0.00 C ATOM 361 OD1 ASP A 24 3.623 11.420 -4.413 1.00 0.00 O ATOM 362 OD2 ASP A 24 2.189 9.974 -3.513 1.00 0.00 O ATOM 0 H ASP A 24 4.194 8.112 -3.582 1.00 0.00 H new ATOM 0 HA ASP A 24 4.489 8.067 -6.519 1.00 0.00 H new ATOM 0 HB2 ASP A 24 3.136 10.068 -6.533 1.00 0.00 H new ATOM 0 HB3 ASP A 24 2.274 8.787 -5.705 1.00 0.00 H new ATOM 367 N GLU A 25 5.878 10.303 -6.586 1.00 0.00 N ATOM 368 CA GLU A 25 7.077 11.109 -6.842 1.00 0.00 C ATOM 369 C GLU A 25 7.377 12.160 -5.765 1.00 0.00 C ATOM 370 O GLU A 25 8.513 12.609 -5.655 1.00 0.00 O ATOM 371 CB GLU A 25 7.015 11.751 -8.245 1.00 0.00 C ATOM 372 CG GLU A 25 6.042 12.936 -8.440 1.00 0.00 C ATOM 373 CD GLU A 25 4.547 12.592 -8.386 1.00 0.00 C ATOM 374 OE1 GLU A 25 4.205 11.399 -8.554 1.00 0.00 O ATOM 375 OE2 GLU A 25 3.755 13.535 -8.162 1.00 0.00 O ATOM 0 H GLU A 25 5.154 10.443 -7.291 1.00 0.00 H new ATOM 0 HA GLU A 25 7.914 10.412 -6.801 1.00 0.00 H new ATOM 0 HB2 GLU A 25 8.017 12.091 -8.505 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.747 10.973 -8.960 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.251 13.683 -7.674 1.00 0.00 H new ATOM 0 HG3 GLU A 25 6.254 13.400 -9.403 1.00 0.00 H new ATOM 382 N ASN A 26 6.388 12.509 -4.934 1.00 0.00 N ATOM 383 CA ASN A 26 6.551 13.403 -3.784 1.00 0.00 C ATOM 384 C ASN A 26 7.049 12.645 -2.537 1.00 0.00 C ATOM 385 O ASN A 26 6.972 13.167 -1.426 1.00 0.00 O ATOM 386 CB ASN A 26 5.224 14.137 -3.505 1.00 0.00 C ATOM 387 CG ASN A 26 4.622 14.740 -4.764 1.00 0.00 C ATOM 388 OD1 ASN A 26 5.033 15.784 -5.243 1.00 0.00 O ATOM 389 ND2 ASN A 26 3.656 14.062 -5.351 1.00 0.00 N ATOM 0 H ASN A 26 5.432 12.170 -5.045 1.00 0.00 H new ATOM 0 HA ASN A 26 7.316 14.141 -4.026 1.00 0.00 H new ATOM 0 HB2 ASN A 26 4.512 13.440 -3.062 1.00 0.00 H new ATOM 0 HB3 ASN A 26 5.395 14.926 -2.773 1.00 0.00 H new ATOM 0 HD21 ASN A 26 3.243 14.409 -6.217 1.00 0.00 H new ATOM 0 HD22 ASN A 26 3.322 13.190 -4.940 1.00 0.00 H new ATOM 396 N GLY A 27 7.479 11.383 -2.686 1.00 0.00 N ATOM 397 CA GLY A 27 7.941 10.532 -1.591 1.00 0.00 C ATOM 398 C GLY A 27 6.830 10.084 -0.634 1.00 0.00 C ATOM 399 O GLY A 27 7.119 9.548 0.435 1.00 0.00 O ATOM 0 H GLY A 27 7.514 10.920 -3.594 1.00 0.00 H new ATOM 0 HA2 GLY A 27 8.423 9.649 -2.010 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.700 11.070 -1.023 1.00 0.00 H new ATOM 403 N ASN A 28 5.569 10.359 -0.974 1.00 0.00 N ATOM 404 CA ASN A 28 4.404 10.067 -0.154 1.00 0.00 C ATOM 405 C ASN A 28 3.847 8.688 -0.526 1.00 0.00 C ATOM 406 O ASN A 28 4.064 8.204 -1.641 1.00 0.00 O ATOM 407 CB ASN A 28 3.382 11.201 -0.336 1.00 0.00 C ATOM 408 CG ASN A 28 3.689 12.422 0.527 1.00 0.00 C ATOM 409 OD1 ASN A 28 2.944 12.764 1.430 1.00 0.00 O ATOM 410 ND2 ASN A 28 4.774 13.138 0.306 1.00 0.00 N ATOM 0 H ASN A 28 5.329 10.806 -1.859 1.00 0.00 H new ATOM 0 HA ASN A 28 4.664 10.023 0.904 1.00 0.00 H new ATOM 0 HB2 ASN A 28 3.361 11.499 -1.384 1.00 0.00 H new ATOM 0 HB3 ASN A 28 2.387 10.830 -0.090 1.00 0.00 H new ATOM 0 HD21 ASN A 28 4.972 13.955 0.884 1.00 0.00 H new ATOM 0 HD22 ASN A 28 5.415 12.875 -0.443 1.00 0.00 H new ATOM 417 N TYR A 29 3.106 8.078 0.402 1.00 0.00 N ATOM 418 CA TYR A 29 2.397 6.827 0.156 1.00 0.00 C ATOM 419 C TYR A 29 1.287 7.076 -0.863 1.00 0.00 C ATOM 420 O TYR A 29 0.498 8.012 -0.713 1.00 0.00 O ATOM 421 CB TYR A 29 1.841 6.246 1.464 1.00 0.00 C ATOM 422 CG TYR A 29 2.901 5.760 2.439 1.00 0.00 C ATOM 423 CD1 TYR A 29 3.593 6.685 3.245 1.00 0.00 C ATOM 424 CD2 TYR A 29 3.196 4.384 2.547 1.00 0.00 C ATOM 425 CE1 TYR A 29 4.573 6.246 4.152 1.00 0.00 C ATOM 426 CE2 TYR A 29 4.192 3.939 3.442 1.00 0.00 C ATOM 427 CZ TYR A 29 4.883 4.875 4.247 1.00 0.00 C ATOM 428 OH TYR A 29 5.868 4.481 5.098 1.00 0.00 O ATOM 0 H TYR A 29 2.983 8.442 1.347 1.00 0.00 H new ATOM 0 HA TYR A 29 3.089 6.089 -0.250 1.00 0.00 H new ATOM 0 HB2 TYR A 29 1.235 7.007 1.956 1.00 0.00 H new ATOM 0 HB3 TYR A 29 1.177 5.415 1.225 1.00 0.00 H new ATOM 0 HD1 TYR A 29 3.369 7.739 3.166 1.00 0.00 H new ATOM 0 HD2 TYR A 29 2.658 3.669 1.942 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.089 6.960 4.777 1.00 0.00 H new ATOM 0 HE2 TYR A 29 4.426 2.887 3.512 1.00 0.00 H new ATOM 0 HH TYR A 29 6.311 3.684 4.739 1.00 0.00 H new ATOM 438 N LEU A 30 1.237 6.244 -1.909 1.00 0.00 N ATOM 439 CA LEU A 30 0.203 6.339 -2.933 1.00 0.00 C ATOM 440 C LEU A 30 -1.182 6.188 -2.259 1.00 0.00 C ATOM 441 O LEU A 30 -1.320 5.289 -1.428 1.00 0.00 O ATOM 442 CB LEU A 30 0.416 5.267 -4.023 1.00 0.00 C ATOM 443 CG LEU A 30 1.002 5.823 -5.333 1.00 0.00 C ATOM 444 CD1 LEU A 30 1.435 4.671 -6.243 1.00 0.00 C ATOM 445 CD2 LEU A 30 0.006 6.697 -6.099 1.00 0.00 C ATOM 0 H LEU A 30 1.909 5.493 -2.065 1.00 0.00 H new ATOM 0 HA LEU A 30 0.257 7.311 -3.422 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.082 4.496 -3.636 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.538 4.786 -4.238 1.00 0.00 H new ATOM 0 HG LEU A 30 1.855 6.442 -5.055 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.848 5.073 -7.168 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.193 4.073 -5.737 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.573 4.045 -6.473 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.472 7.063 -7.014 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.876 6.108 -6.351 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.288 7.544 -5.478 1.00 0.00 H new ATOM 457 N PRO A 31 -2.212 7.000 -2.586 1.00 0.00 N ATOM 458 CA PRO A 31 -3.504 6.992 -1.885 1.00 0.00 C ATOM 459 C PRO A 31 -4.232 5.644 -1.760 1.00 0.00 C ATOM 460 O PRO A 31 -5.098 5.526 -0.899 1.00 0.00 O ATOM 461 CB PRO A 31 -4.377 8.010 -2.624 1.00 0.00 C ATOM 462 CG PRO A 31 -3.355 9.016 -3.140 1.00 0.00 C ATOM 463 CD PRO A 31 -2.160 8.135 -3.497 1.00 0.00 C ATOM 0 HA PRO A 31 -3.308 7.238 -0.841 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.937 7.548 -3.437 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.105 8.477 -1.960 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.728 9.562 -4.007 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.099 9.757 -2.382 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.214 7.805 -4.535 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -1.224 8.683 -3.385 1.00 0.00 H new ATOM 471 N LEU A 32 -3.882 4.635 -2.571 1.00 0.00 N ATOM 472 CA LEU A 32 -4.310 3.238 -2.467 1.00 0.00 C ATOM 473 C LEU A 32 -3.100 2.366 -2.087 1.00 0.00 C ATOM 474 O LEU A 32 -2.029 2.512 -2.677 1.00 0.00 O ATOM 475 CB LEU A 32 -4.889 2.802 -3.830 1.00 0.00 C ATOM 476 CG LEU A 32 -5.424 1.354 -3.874 1.00 0.00 C ATOM 477 CD1 LEU A 32 -6.788 1.209 -3.209 1.00 0.00 C ATOM 478 CD2 LEU A 32 -5.571 0.894 -5.327 1.00 0.00 C ATOM 0 H LEU A 32 -3.256 4.784 -3.362 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.074 3.124 -1.698 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.698 3.481 -4.099 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.115 2.911 -4.589 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.701 0.746 -3.331 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.114 0.171 -3.270 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.716 1.506 -2.163 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.511 1.847 -3.718 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.949 -0.128 -5.349 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.269 1.550 -5.847 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.600 0.932 -5.821 1.00 0.00 H new ATOM 490 N GLN A 33 -3.289 1.421 -1.160 1.00 0.00 N ATOM 491 CA GLN A 33 -2.309 0.386 -0.814 1.00 0.00 C ATOM 492 C GLN A 33 -2.991 -0.990 -0.803 1.00 0.00 C ATOM 493 O GLN A 33 -4.186 -1.090 -0.519 1.00 0.00 O ATOM 494 CB GLN A 33 -1.711 0.661 0.574 1.00 0.00 C ATOM 495 CG GLN A 33 -1.036 2.024 0.765 1.00 0.00 C ATOM 496 CD GLN A 33 0.270 2.215 0.008 1.00 0.00 C ATOM 497 OE1 GLN A 33 1.222 1.463 0.155 1.00 0.00 O ATOM 498 NE2 GLN A 33 0.400 3.271 -0.761 1.00 0.00 N ATOM 0 H GLN A 33 -4.149 1.353 -0.616 1.00 0.00 H new ATOM 0 HA GLN A 33 -1.512 0.398 -1.558 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -2.506 0.566 1.314 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.979 -0.117 0.791 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.733 2.803 0.456 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.845 2.171 1.828 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.387 3.907 -0.892 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.288 3.456 -1.228 1.00 0.00 H new ATOM 507 N CYS A 34 -2.224 -2.057 -1.069 1.00 0.00 N ATOM 508 CA CYS A 34 -2.747 -3.421 -1.122 1.00 0.00 C ATOM 509 C CYS A 34 -1.787 -4.461 -0.533 1.00 0.00 C ATOM 510 O CYS A 34 -0.591 -4.475 -0.831 1.00 0.00 O ATOM 511 CB CYS A 34 -3.055 -3.802 -2.578 1.00 0.00 C ATOM 512 SG CYS A 34 -4.243 -2.769 -3.478 1.00 0.00 S ATOM 0 H CYS A 34 -1.223 -1.994 -1.253 1.00 0.00 H new ATOM 0 HA CYS A 34 -3.651 -3.429 -0.513 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -2.117 -3.798 -3.133 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -3.426 -4.827 -2.587 1.00 0.00 H new ATOM 517 N TYR A 35 -2.334 -5.401 0.240 1.00 0.00 N ATOM 518 CA TYR A 35 -1.647 -6.608 0.693 1.00 0.00 C ATOM 519 C TYR A 35 -1.788 -7.617 -0.454 1.00 0.00 C ATOM 520 O TYR A 35 -2.626 -8.520 -0.428 1.00 0.00 O ATOM 521 CB TYR A 35 -2.223 -7.040 2.058 1.00 0.00 C ATOM 522 CG TYR A 35 -1.437 -8.046 2.897 1.00 0.00 C ATOM 523 CD1 TYR A 35 -0.916 -9.237 2.349 1.00 0.00 C ATOM 524 CD2 TYR A 35 -1.255 -7.792 4.274 1.00 0.00 C ATOM 525 CE1 TYR A 35 -0.198 -10.141 3.160 1.00 0.00 C ATOM 526 CE2 TYR A 35 -0.522 -8.682 5.080 1.00 0.00 C ATOM 527 CZ TYR A 35 0.018 -9.859 4.523 1.00 0.00 C ATOM 528 OH TYR A 35 0.752 -10.707 5.295 1.00 0.00 O ATOM 0 H TYR A 35 -3.295 -5.340 0.577 1.00 0.00 H new ATOM 0 HA TYR A 35 -0.582 -6.481 0.890 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -2.359 -6.141 2.660 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -3.214 -7.458 1.882 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -1.068 -9.458 1.303 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -1.684 -6.904 4.714 1.00 0.00 H new ATOM 0 HE1 TYR A 35 0.188 -11.055 2.733 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -0.373 -8.463 6.127 1.00 0.00 H new ATOM 0 HH TYR A 35 0.921 -11.536 4.801 1.00 0.00 H new ATOM 538 N GLY A 36 -0.981 -7.405 -1.505 1.00 0.00 N ATOM 539 CA GLY A 36 -1.072 -8.097 -2.797 1.00 0.00 C ATOM 540 C GLY A 36 -1.053 -9.626 -2.712 1.00 0.00 C ATOM 541 O GLY A 36 -1.682 -10.285 -3.532 1.00 0.00 O ATOM 0 H GLY A 36 -0.222 -6.724 -1.476 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.991 -7.787 -3.295 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -0.243 -7.772 -3.426 1.00 0.00 H new ATOM 545 N SER A 37 -0.413 -10.185 -1.679 1.00 0.00 N ATOM 546 CA SER A 37 -0.426 -11.619 -1.358 1.00 0.00 C ATOM 547 C SER A 37 -1.821 -12.176 -1.026 1.00 0.00 C ATOM 548 O SER A 37 -2.033 -13.380 -1.135 1.00 0.00 O ATOM 549 CB SER A 37 0.478 -11.877 -0.156 1.00 0.00 C ATOM 550 OG SER A 37 1.779 -11.363 -0.367 1.00 0.00 O ATOM 0 H SER A 37 0.145 -9.638 -1.024 1.00 0.00 H new ATOM 0 HA SER A 37 -0.076 -12.128 -2.256 1.00 0.00 H new ATOM 0 HB2 SER A 37 0.044 -11.418 0.732 1.00 0.00 H new ATOM 0 HB3 SER A 37 0.535 -12.949 0.034 1.00 0.00 H new ATOM 0 HG SER A 37 1.997 -10.724 0.343 1.00 0.00 H new ATOM 556 N ILE A 38 -2.762 -11.311 -0.625 1.00 0.00 N ATOM 557 CA ILE A 38 -4.187 -11.613 -0.411 1.00 0.00 C ATOM 558 C ILE A 38 -5.029 -10.986 -1.539 1.00 0.00 C ATOM 559 O ILE A 38 -6.116 -11.474 -1.845 1.00 0.00 O ATOM 560 CB ILE A 38 -4.651 -11.108 0.990 1.00 0.00 C ATOM 561 CG1 ILE A 38 -3.731 -11.619 2.130 1.00 0.00 C ATOM 562 CG2 ILE A 38 -6.102 -11.546 1.271 1.00 0.00 C ATOM 563 CD1 ILE A 38 -3.952 -10.912 3.474 1.00 0.00 C ATOM 0 H ILE A 38 -2.542 -10.334 -0.431 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.330 -12.693 -0.435 1.00 0.00 H new ATOM 0 HB ILE A 38 -4.592 -10.020 0.968 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.894 -12.689 2.263 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -2.691 -11.490 1.830 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -6.408 -11.184 2.253 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.762 -11.130 0.510 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -6.164 -12.634 1.250 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.272 -11.325 4.219 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -3.760 -9.845 3.360 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -4.981 -11.063 3.799 1.00 0.00 H new ATOM 575 N GLY A 39 -4.542 -9.897 -2.151 1.00 0.00 N ATOM 576 CA GLY A 39 -5.272 -9.041 -3.092 1.00 0.00 C ATOM 577 C GLY A 39 -6.192 -8.030 -2.391 1.00 0.00 C ATOM 578 O GLY A 39 -7.038 -7.417 -3.038 1.00 0.00 O ATOM 0 H GLY A 39 -3.586 -9.576 -1.995 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.558 -8.503 -3.715 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.868 -9.666 -3.757 1.00 0.00 H new ATOM 582 N TYR A 40 -6.058 -7.897 -1.069 1.00 0.00 N ATOM 583 CA TYR A 40 -6.863 -7.028 -0.214 1.00 0.00 C ATOM 584 C TYR A 40 -6.281 -5.610 -0.224 1.00 0.00 C ATOM 585 O TYR A 40 -5.065 -5.458 -0.092 1.00 0.00 O ATOM 586 CB TYR A 40 -6.846 -7.610 1.212 1.00 0.00 C ATOM 587 CG TYR A 40 -8.135 -7.403 1.966 1.00 0.00 C ATOM 588 CD1 TYR A 40 -9.226 -8.262 1.729 1.00 0.00 C ATOM 589 CD2 TYR A 40 -8.242 -6.355 2.899 1.00 0.00 C ATOM 590 CE1 TYR A 40 -10.448 -8.042 2.389 1.00 0.00 C ATOM 591 CE2 TYR A 40 -9.459 -6.144 3.567 1.00 0.00 C ATOM 592 CZ TYR A 40 -10.572 -6.963 3.287 1.00 0.00 C ATOM 593 OH TYR A 40 -11.783 -6.668 3.834 1.00 0.00 O ATOM 0 H TYR A 40 -5.354 -8.416 -0.545 1.00 0.00 H new ATOM 0 HA TYR A 40 -7.889 -6.976 -0.578 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -6.635 -8.678 1.157 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -6.030 -7.153 1.772 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -9.124 -9.088 1.041 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -7.394 -5.717 3.100 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -11.288 -8.697 2.209 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -9.543 -5.352 4.297 1.00 0.00 H new ATOM 0 HH TYR A 40 -11.789 -5.734 4.131 1.00 0.00 H new ATOM 603 N CYS A 41 -7.119 -4.577 -0.345 1.00 0.00 N ATOM 604 CA CYS A 41 -6.674 -3.184 -0.450 1.00 0.00 C ATOM 605 C CYS A 41 -7.399 -2.253 0.517 1.00 0.00 C ATOM 606 O CYS A 41 -8.469 -2.569 1.035 1.00 0.00 O ATOM 607 CB CYS A 41 -6.845 -2.669 -1.883 1.00 0.00 C ATOM 608 SG CYS A 41 -6.066 -3.645 -3.194 1.00 0.00 S ATOM 0 H CYS A 41 -8.133 -4.684 -0.373 1.00 0.00 H new ATOM 0 HA CYS A 41 -5.619 -3.180 -0.178 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.912 -2.603 -2.096 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -6.447 -1.655 -1.930 1.00 0.00 H new ATOM 613 N TRP A 42 -6.803 -1.081 0.732 1.00 0.00 N ATOM 614 CA TRP A 42 -7.376 0.044 1.463 1.00 0.00 C ATOM 615 C TRP A 42 -6.821 1.352 0.900 1.00 0.00 C ATOM 616 O TRP A 42 -5.784 1.373 0.228 1.00 0.00 O ATOM 617 CB TRP A 42 -7.048 -0.085 2.952 1.00 0.00 C ATOM 618 CG TRP A 42 -5.599 -0.240 3.269 1.00 0.00 C ATOM 619 CD1 TRP A 42 -4.727 0.762 3.514 1.00 0.00 C ATOM 620 CD2 TRP A 42 -4.835 -1.478 3.318 1.00 0.00 C ATOM 621 NE1 TRP A 42 -3.477 0.218 3.761 1.00 0.00 N ATOM 622 CE2 TRP A 42 -3.484 -1.153 3.621 1.00 0.00 C ATOM 623 CE3 TRP A 42 -5.151 -2.842 3.127 1.00 0.00 C ATOM 624 CZ2 TRP A 42 -2.488 -2.133 3.722 1.00 0.00 C ATOM 625 CZ3 TRP A 42 -4.159 -3.834 3.217 1.00 0.00 C ATOM 626 CH2 TRP A 42 -2.830 -3.482 3.512 1.00 0.00 C ATOM 0 H TRP A 42 -5.865 -0.883 0.385 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.460 0.044 1.347 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -7.425 0.797 3.469 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -7.586 -0.944 3.354 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -4.965 1.815 3.517 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -2.654 0.764 4.015 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -6.170 -3.127 2.909 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -1.471 -1.857 3.958 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -4.419 -4.870 3.059 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -2.071 -4.248 3.577 1.00 0.00 H new ATOM 637 N CYS A 43 -7.482 2.460 1.222 1.00 0.00 N ATOM 638 CA CYS A 43 -6.927 3.778 0.952 1.00 0.00 C ATOM 639 C CYS A 43 -6.044 4.190 2.130 1.00 0.00 C ATOM 640 O CYS A 43 -6.308 3.800 3.271 1.00 0.00 O ATOM 641 CB CYS A 43 -8.030 4.820 0.734 1.00 0.00 C ATOM 642 SG CYS A 43 -9.144 4.536 -0.666 1.00 0.00 S ATOM 0 H CYS A 43 -8.399 2.470 1.668 1.00 0.00 H new ATOM 0 HA CYS A 43 -6.338 3.729 0.036 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -8.630 4.876 1.642 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -7.558 5.794 0.603 1.00 0.00 H new ATOM 647 N VAL A 44 -5.043 5.030 1.872 1.00 0.00 N ATOM 648 CA VAL A 44 -4.216 5.669 2.899 1.00 0.00 C ATOM 649 C VAL A 44 -4.153 7.174 2.678 1.00 0.00 C ATOM 650 O VAL A 44 -4.232 7.657 1.547 1.00 0.00 O ATOM 651 CB VAL A 44 -2.768 5.129 2.946 1.00 0.00 C ATOM 652 CG1 VAL A 44 -2.699 3.643 3.306 1.00 0.00 C ATOM 653 CG2 VAL A 44 -1.995 5.360 1.643 1.00 0.00 C ATOM 0 H VAL A 44 -4.777 5.292 0.923 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.697 5.433 3.848 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.293 5.707 3.738 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.658 3.321 3.324 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.144 3.486 4.288 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.246 3.063 2.563 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.987 4.958 1.742 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.507 4.858 0.822 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.941 6.429 1.437 1.00 0.00 H new ATOM 663 N PHE A 45 -3.977 7.915 3.769 1.00 0.00 N ATOM 664 CA PHE A 45 -3.602 9.319 3.714 1.00 0.00 C ATOM 665 C PHE A 45 -2.119 9.370 3.264 1.00 0.00 C ATOM 666 O PHE A 45 -1.399 8.384 3.455 1.00 0.00 O ATOM 667 CB PHE A 45 -3.838 9.945 5.096 1.00 0.00 C ATOM 668 CG PHE A 45 -5.295 9.931 5.534 1.00 0.00 C ATOM 669 CD1 PHE A 45 -6.210 10.829 4.950 1.00 0.00 C ATOM 670 CD2 PHE A 45 -5.741 9.029 6.519 1.00 0.00 C ATOM 671 CE1 PHE A 45 -7.561 10.815 5.339 1.00 0.00 C ATOM 672 CE2 PHE A 45 -7.090 9.015 6.910 1.00 0.00 C ATOM 673 CZ PHE A 45 -8.002 9.908 6.319 1.00 0.00 C ATOM 0 H PHE A 45 -4.091 7.555 4.716 1.00 0.00 H new ATOM 0 HA PHE A 45 -4.198 9.893 3.005 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.241 9.410 5.834 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.481 10.975 5.084 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -5.873 11.530 4.201 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -5.042 8.344 6.976 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -8.261 11.501 4.885 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -7.427 8.319 7.664 1.00 0.00 H new ATOM 0 HZ PHE A 45 -9.040 9.897 6.618 1.00 0.00 H new ATOM 683 N PRO A 46 -1.617 10.473 2.674 1.00 0.00 N ATOM 684 CA PRO A 46 -0.277 10.529 2.064 1.00 0.00 C ATOM 685 C PRO A 46 0.906 10.110 2.964 1.00 0.00 C ATOM 686 O PRO A 46 1.954 9.703 2.461 1.00 0.00 O ATOM 687 CB PRO A 46 -0.124 11.975 1.583 1.00 0.00 C ATOM 688 CG PRO A 46 -1.557 12.411 1.295 1.00 0.00 C ATOM 689 CD PRO A 46 -2.362 11.687 2.370 1.00 0.00 C ATOM 0 HA PRO A 46 -0.226 9.788 1.267 1.00 0.00 H new ATOM 0 HB2 PRO A 46 0.341 12.603 2.343 1.00 0.00 H new ATOM 0 HB3 PRO A 46 0.501 12.037 0.692 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -1.671 13.493 1.366 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -1.872 12.122 0.292 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -2.476 12.309 3.258 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -3.365 11.451 2.015 1.00 0.00 H new ATOM 697 N ASN A 47 0.730 10.159 4.293 1.00 0.00 N ATOM 698 CA ASN A 47 1.673 9.700 5.307 1.00 0.00 C ATOM 699 C ASN A 47 1.722 8.165 5.497 1.00 0.00 C ATOM 700 O ASN A 47 2.597 7.686 6.213 1.00 0.00 O ATOM 701 CB ASN A 47 1.311 10.377 6.643 1.00 0.00 C ATOM 702 CG ASN A 47 0.140 9.685 7.333 1.00 0.00 C ATOM 703 OD1 ASN A 47 -0.855 9.341 6.713 1.00 0.00 O ATOM 704 ND2 ASN A 47 0.257 9.400 8.611 1.00 0.00 N ATOM 0 H ASN A 47 -0.121 10.541 4.704 1.00 0.00 H new ATOM 0 HA ASN A 47 2.669 9.979 4.962 1.00 0.00 H new ATOM 0 HB2 ASN A 47 2.179 10.366 7.302 1.00 0.00 H new ATOM 0 HB3 ASN A 47 1.060 11.423 6.464 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -0.485 8.889 9.090 1.00 0.00 H new ATOM 0 HD22 ASN A 47 1.090 9.690 9.124 1.00 0.00 H new ATOM 711 N GLY A 48 0.778 7.413 4.912 1.00 0.00 N ATOM 712 CA GLY A 48 0.655 5.957 5.021 1.00 0.00 C ATOM 713 C GLY A 48 -0.420 5.459 5.998 1.00 0.00 C ATOM 714 O GLY A 48 -0.609 4.248 6.101 1.00 0.00 O ATOM 0 H GLY A 48 0.050 7.823 4.326 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.439 5.552 4.032 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.618 5.550 5.328 1.00 0.00 H new ATOM 718 N THR A 49 -1.140 6.342 6.706 1.00 0.00 N ATOM 719 CA THR A 49 -2.218 5.947 7.629 1.00 0.00 C ATOM 720 C THR A 49 -3.444 5.521 6.825 1.00 0.00 C ATOM 721 O THR A 49 -3.954 6.305 6.030 1.00 0.00 O ATOM 722 CB THR A 49 -2.586 7.096 8.586 1.00 0.00 C ATOM 723 OG1 THR A 49 -1.491 7.383 9.429 1.00 0.00 O ATOM 724 CG2 THR A 49 -3.751 6.755 9.518 1.00 0.00 C ATOM 0 H THR A 49 -0.992 7.350 6.656 1.00 0.00 H new ATOM 0 HA THR A 49 -1.865 5.111 8.233 1.00 0.00 H new ATOM 0 HB THR A 49 -2.863 7.934 7.946 1.00 0.00 H new ATOM 0 HG1 THR A 49 -1.775 7.999 10.136 1.00 0.00 H new ATOM 0 HG21 THR A 49 -3.960 7.606 10.166 1.00 0.00 H new ATOM 0 HG22 THR A 49 -4.636 6.525 8.925 1.00 0.00 H new ATOM 0 HG23 THR A 49 -3.488 5.891 10.128 1.00 0.00 H new ATOM 732 N GLU A 50 -3.922 4.288 7.015 1.00 0.00 N ATOM 733 CA GLU A 50 -5.104 3.774 6.322 1.00 0.00 C ATOM 734 C GLU A 50 -6.408 4.501 6.672 1.00 0.00 C ATOM 735 O GLU A 50 -6.539 5.105 7.735 1.00 0.00 O ATOM 736 CB GLU A 50 -5.241 2.252 6.540 1.00 0.00 C ATOM 737 CG GLU A 50 -5.901 1.794 7.853 1.00 0.00 C ATOM 738 CD GLU A 50 -5.225 2.307 9.130 1.00 0.00 C ATOM 739 OE1 GLU A 50 -3.974 2.387 9.137 1.00 0.00 O ATOM 740 OE2 GLU A 50 -5.973 2.588 10.091 1.00 0.00 O ATOM 0 H GLU A 50 -3.498 3.617 7.656 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.939 3.976 5.264 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.815 1.841 5.710 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.246 1.811 6.489 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.941 2.121 7.853 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.910 0.704 7.877 1.00 0.00 H new ATOM 747 N VAL A 51 -7.397 4.359 5.786 1.00 0.00 N ATOM 748 CA VAL A 51 -8.794 4.740 6.001 1.00 0.00 C ATOM 749 C VAL A 51 -9.512 3.428 6.379 1.00 0.00 C ATOM 750 O VAL A 51 -9.919 2.687 5.472 1.00 0.00 O ATOM 751 CB VAL A 51 -9.388 5.406 4.742 1.00 0.00 C ATOM 752 CG1 VAL A 51 -10.826 5.871 5.012 1.00 0.00 C ATOM 753 CG2 VAL A 51 -8.566 6.624 4.304 1.00 0.00 C ATOM 0 H VAL A 51 -7.239 3.959 4.861 1.00 0.00 H new ATOM 0 HA VAL A 51 -8.908 5.485 6.788 1.00 0.00 H new ATOM 0 HB VAL A 51 -9.370 4.658 3.949 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -11.232 6.339 4.115 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -11.441 5.013 5.284 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.828 6.592 5.830 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.016 7.066 3.415 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.551 7.361 5.107 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.546 6.313 4.078 1.00 0.00 H new ATOM 763 N PRO A 52 -9.671 3.100 7.683 1.00 0.00 N ATOM 764 CA PRO A 52 -10.085 1.778 8.190 1.00 0.00 C ATOM 765 C PRO A 52 -11.529 1.329 7.925 1.00 0.00 C ATOM 766 O PRO A 52 -12.024 0.385 8.534 1.00 0.00 O ATOM 767 CB PRO A 52 -9.736 1.796 9.684 1.00 0.00 C ATOM 768 CG PRO A 52 -9.952 3.260 10.050 1.00 0.00 C ATOM 769 CD PRO A 52 -9.405 3.977 8.819 1.00 0.00 C ATOM 0 HA PRO A 52 -9.550 1.016 7.624 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -10.381 1.133 10.260 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -8.709 1.479 9.866 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -11.004 3.487 10.221 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -9.415 3.538 10.957 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.889 4.944 8.685 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -8.337 4.167 8.922 1.00 0.00 H new ATOM 777 N ASN A 53 -12.173 1.962 6.954 1.00 0.00 N ATOM 778 CA ASN A 53 -13.471 1.617 6.396 1.00 0.00 C ATOM 779 C ASN A 53 -13.413 1.307 4.891 1.00 0.00 C ATOM 780 O ASN A 53 -14.406 0.870 4.319 1.00 0.00 O ATOM 781 CB ASN A 53 -14.479 2.727 6.734 1.00 0.00 C ATOM 782 CG ASN A 53 -14.535 3.034 8.223 1.00 0.00 C ATOM 783 OD1 ASN A 53 -13.942 3.988 8.702 1.00 0.00 O ATOM 784 ND2 ASN A 53 -15.235 2.231 9.000 1.00 0.00 N ATOM 0 H ASN A 53 -11.774 2.787 6.505 1.00 0.00 H new ATOM 0 HA ASN A 53 -13.807 0.688 6.856 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -14.212 3.633 6.190 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -15.470 2.430 6.391 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -15.282 2.406 10.004 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -15.729 1.435 8.597 1.00 0.00 H new ATOM 791 N THR A 54 -12.246 1.485 4.258 1.00 0.00 N ATOM 792 CA THR A 54 -11.995 1.111 2.858 1.00 0.00 C ATOM 793 C THR A 54 -11.521 -0.330 2.699 1.00 0.00 C ATOM 794 O THR A 54 -11.617 -0.859 1.596 1.00 0.00 O ATOM 795 CB THR A 54 -10.949 2.031 2.204 1.00 0.00 C ATOM 796 OG1 THR A 54 -9.732 2.045 2.930 1.00 0.00 O ATOM 797 CG2 THR A 54 -11.484 3.461 2.107 1.00 0.00 C ATOM 0 H THR A 54 -11.433 1.901 4.713 1.00 0.00 H new ATOM 0 HA THR A 54 -12.959 1.220 2.361 1.00 0.00 H new ATOM 0 HB THR A 54 -10.754 1.635 1.207 1.00 0.00 H new ATOM 0 HG1 THR A 54 -9.821 2.636 3.706 1.00 0.00 H new ATOM 0 HG21 THR A 54 -10.733 4.100 1.642 1.00 0.00 H new ATOM 0 HG22 THR A 54 -12.392 3.470 1.503 1.00 0.00 H new ATOM 0 HG23 THR A 54 -11.709 3.834 3.106 1.00 0.00 H new ATOM 805 N ARG A 55 -11.044 -0.974 3.776 1.00 0.00 N ATOM 806 CA ARG A 55 -10.336 -2.265 3.766 1.00 0.00 C ATOM 807 C ARG A 55 -11.163 -3.385 3.104 1.00 0.00 C ATOM 808 O ARG A 55 -11.960 -4.059 3.762 1.00 0.00 O ATOM 809 CB ARG A 55 -9.822 -2.616 5.178 1.00 0.00 C ATOM 810 CG ARG A 55 -9.176 -1.428 5.919 1.00 0.00 C ATOM 811 CD ARG A 55 -8.136 -1.867 6.954 1.00 0.00 C ATOM 812 NE ARG A 55 -6.891 -2.350 6.326 1.00 0.00 N ATOM 813 CZ ARG A 55 -5.726 -2.512 6.942 1.00 0.00 C ATOM 814 NH1 ARG A 55 -5.602 -2.297 8.231 1.00 0.00 N ATOM 815 NH2 ARG A 55 -4.660 -2.896 6.280 1.00 0.00 N ATOM 0 H ARG A 55 -11.145 -0.594 4.717 1.00 0.00 H new ATOM 0 HA ARG A 55 -9.455 -2.166 3.132 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -10.653 -2.995 5.773 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -9.093 -3.422 5.099 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -8.702 -0.767 5.193 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -9.955 -0.849 6.416 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -7.907 -1.030 7.613 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -8.557 -2.657 7.576 1.00 0.00 H new ATOM 0 HE ARG A 55 -6.929 -2.579 5.333 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -6.410 -2.000 8.778 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -4.698 -2.427 8.685 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -4.719 -3.075 5.277 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -3.772 -3.016 6.768 1.00 0.00 H new ATOM 829 N SER A 56 -10.938 -3.606 1.804 1.00 0.00 N ATOM 830 CA SER A 56 -11.768 -4.429 0.913 1.00 0.00 C ATOM 831 C SER A 56 -10.989 -5.498 0.138 1.00 0.00 C ATOM 832 O SER A 56 -9.775 -5.419 -0.030 1.00 0.00 O ATOM 833 CB SER A 56 -12.467 -3.518 -0.112 1.00 0.00 C ATOM 834 OG SER A 56 -13.216 -2.498 0.509 1.00 0.00 O ATOM 0 H SER A 56 -10.137 -3.199 1.321 1.00 0.00 H new ATOM 0 HA SER A 56 -12.475 -4.949 1.559 1.00 0.00 H new ATOM 0 HB2 SER A 56 -11.720 -3.071 -0.768 1.00 0.00 H new ATOM 0 HB3 SER A 56 -13.124 -4.118 -0.741 1.00 0.00 H new ATOM 0 HG SER A 56 -12.619 -1.931 1.041 1.00 0.00 H new ATOM 840 N ARG A 57 -11.740 -6.441 -0.448 1.00 0.00 N ATOM 841 CA ARG A 57 -11.328 -7.580 -1.291 1.00 0.00 C ATOM 842 C ARG A 57 -10.654 -7.208 -2.627 1.00 0.00 C ATOM 843 O ARG A 57 -10.291 -8.086 -3.409 1.00 0.00 O ATOM 844 CB ARG A 57 -12.575 -8.476 -1.501 1.00 0.00 C ATOM 845 CG ARG A 57 -12.507 -9.782 -0.685 1.00 0.00 C ATOM 846 CD ARG A 57 -11.811 -10.931 -1.429 1.00 0.00 C ATOM 847 NE ARG A 57 -10.590 -10.488 -2.102 1.00 0.00 N ATOM 848 CZ ARG A 57 -9.343 -10.894 -1.986 1.00 0.00 C ATOM 849 NH1 ARG A 57 -8.953 -11.911 -1.260 1.00 0.00 N ATOM 850 NH2 ARG A 57 -8.422 -10.238 -2.638 1.00 0.00 N ATOM 0 H ARG A 57 -12.753 -6.426 -0.334 1.00 0.00 H new ATOM 0 HA ARG A 57 -10.536 -8.112 -0.764 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -13.469 -7.921 -1.218 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -12.671 -8.717 -2.560 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -11.978 -9.591 0.249 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -13.519 -10.090 -0.421 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -11.568 -11.725 -0.723 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -12.496 -11.355 -2.163 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.728 -9.736 -2.777 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.637 -12.452 -0.731 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -7.965 -12.162 -1.223 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -8.678 -9.437 -3.215 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -7.446 -10.526 -2.570 1.00 0.00 H new ATOM 864 N GLY A 58 -10.488 -5.918 -2.881 1.00 0.00 N ATOM 865 CA GLY A 58 -9.882 -5.348 -4.080 1.00 0.00 C ATOM 866 C GLY A 58 -9.786 -3.821 -4.026 1.00 0.00 C ATOM 867 O GLY A 58 -10.109 -3.205 -3.009 1.00 0.00 O ATOM 0 H GLY A 58 -10.788 -5.200 -2.221 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.884 -5.766 -4.211 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -10.467 -5.640 -4.952 1.00 0.00 H new ATOM 871 N HIS A 59 -9.310 -3.233 -5.131 1.00 0.00 N ATOM 872 CA HIS A 59 -9.018 -1.806 -5.305 1.00 0.00 C ATOM 873 C HIS A 59 -10.238 -0.881 -5.117 1.00 0.00 C ATOM 874 O HIS A 59 -11.389 -1.312 -5.186 1.00 0.00 O ATOM 875 CB HIS A 59 -8.446 -1.588 -6.719 1.00 0.00 C ATOM 876 CG HIS A 59 -7.402 -2.584 -7.160 1.00 0.00 C ATOM 877 ND1 HIS A 59 -7.522 -3.461 -8.216 1.00 0.00 N ATOM 878 CD2 HIS A 59 -6.166 -2.777 -6.604 1.00 0.00 C ATOM 879 CE1 HIS A 59 -6.377 -4.161 -8.291 1.00 0.00 C ATOM 880 NE2 HIS A 59 -5.526 -3.784 -7.328 1.00 0.00 N ATOM 0 H HIS A 59 -9.107 -3.771 -5.974 1.00 0.00 H new ATOM 0 HA HIS A 59 -8.305 -1.539 -4.525 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -9.270 -1.612 -7.432 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -8.012 -0.589 -6.766 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -5.759 -2.245 -5.757 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -6.171 -4.924 -9.028 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -4.593 -4.159 -7.157 1.00 0.00 H new ATOM 888 N HIS A 60 -9.973 0.422 -4.958 1.00 0.00 N ATOM 889 CA HIS A 60 -10.978 1.489 -4.905 1.00 0.00 C ATOM 890 C HIS A 60 -10.367 2.841 -5.332 1.00 0.00 C ATOM 891 O HIS A 60 -9.148 3.000 -5.404 1.00 0.00 O ATOM 892 CB HIS A 60 -11.666 1.543 -3.520 1.00 0.00 C ATOM 893 CG HIS A 60 -10.943 0.823 -2.407 1.00 0.00 C ATOM 894 ND1 HIS A 60 -11.275 -0.401 -1.873 1.00 0.00 N ATOM 895 CD2 HIS A 60 -9.762 1.201 -1.841 1.00 0.00 C ATOM 896 CE1 HIS A 60 -10.309 -0.727 -0.998 1.00 0.00 C ATOM 897 NE2 HIS A 60 -9.366 0.217 -0.951 1.00 0.00 N ATOM 0 H HIS A 60 -9.020 0.773 -4.859 1.00 0.00 H new ATOM 0 HA HIS A 60 -11.765 1.263 -5.625 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -11.788 2.588 -3.235 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -12.666 1.120 -3.614 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -12.100 -0.957 -2.099 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -9.225 2.114 -2.051 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -10.297 -1.633 -0.410 1.00 0.00 H new ATOM 905 N ASN A 61 -11.226 3.823 -5.623 1.00 0.00 N ATOM 906 CA ASN A 61 -10.918 5.099 -6.264 1.00 0.00 C ATOM 907 C ASN A 61 -10.377 6.140 -5.271 1.00 0.00 C ATOM 908 O ASN A 61 -10.962 7.208 -5.092 1.00 0.00 O ATOM 909 CB ASN A 61 -12.184 5.590 -6.997 1.00 0.00 C ATOM 910 CG ASN A 61 -12.722 4.572 -7.992 1.00 0.00 C ATOM 911 OD1 ASN A 61 -13.383 3.613 -7.625 1.00 0.00 O ATOM 912 ND2 ASN A 61 -12.449 4.739 -9.271 1.00 0.00 N ATOM 0 H ASN A 61 -12.218 3.739 -5.402 1.00 0.00 H new ATOM 0 HA ASN A 61 -10.114 4.955 -6.986 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.957 5.818 -6.264 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -11.958 6.519 -7.521 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -12.790 4.066 -9.957 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -11.897 5.541 -9.574 1.00 0.00 H new ATOM 919 N CYS A 62 -9.273 5.814 -4.595 1.00 0.00 N ATOM 920 CA CYS A 62 -8.743 6.654 -3.525 1.00 0.00 C ATOM 921 C CYS A 62 -8.282 8.041 -4.011 1.00 0.00 C ATOM 922 O CYS A 62 -7.785 8.201 -5.128 1.00 0.00 O ATOM 923 CB CYS A 62 -7.557 5.957 -2.860 1.00 0.00 C ATOM 924 SG CYS A 62 -7.888 4.299 -2.247 1.00 0.00 S ATOM 0 H CYS A 62 -8.729 4.970 -4.773 1.00 0.00 H new ATOM 0 HA CYS A 62 -9.561 6.805 -2.821 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -6.738 5.905 -3.577 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -7.214 6.573 -2.029 1.00 0.00 H new