USER MOD reduce.3.24.130724 H: found=0, std=0, add=448, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 446 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 43 GLN : amide:sc= -8.51! C(o=-15!,f=-13!) USER MOD Set 1.2: A 53 GLN : amide:sc= -6.01! K(o=-15!,f=-8.7) USER MOD Set 2.1: A 4 GLN : amide:sc= -0.354 K(o=-0.65,f=-2.1!) USER MOD Set 2.2: A 10 HIS : no HD1:sc= -0.297 K(o=-0.65,f=-0.055) USER MOD Single : A 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= -1.38 K(o=-1.4,f=-2.4) USER MOD Single : A 5 HIS : no HD1:sc= -1.28 K(o=-1.3,f=-0.19) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -170:sc= -0.472 USER MOD Single : A 30 THR OG1 : rot 58:sc= 0.607 USER MOD Single : A 34 SER OG : rot 180:sc= -0.506 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.677 X(o=-0.68,f=-0.66!) USER MOD Single : A 57 TYR OH : rot -67:sc= 0.0533 USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 5.466 -15.955 11.082 1.00 0.00 N ATOM 2 CA PHE A 1 5.394 -14.715 11.906 1.00 0.00 C ATOM 3 C PHE A 1 6.798 -14.379 12.430 1.00 0.00 C ATOM 4 O PHE A 1 7.141 -14.685 13.555 1.00 0.00 O ATOM 5 CB PHE A 1 4.422 -14.948 13.089 1.00 0.00 C ATOM 6 CG PHE A 1 3.097 -14.243 12.851 1.00 0.00 C ATOM 7 CD1 PHE A 1 1.901 -14.974 12.861 1.00 0.00 C ATOM 8 CD2 PHE A 1 3.067 -12.854 12.645 1.00 0.00 C ATOM 9 CE1 PHE A 1 0.680 -14.323 12.670 1.00 0.00 C ATOM 10 CE2 PHE A 1 1.842 -12.201 12.447 1.00 0.00 C ATOM 11 CZ PHE A 1 0.646 -12.938 12.463 1.00 0.00 C ATOM 0 H1 PHE A 1 4.518 -16.189 10.723 1.00 0.00 H new ATOM 0 H2 PHE A 1 6.111 -15.802 10.281 1.00 0.00 H new ATOM 0 H3 PHE A 1 5.819 -16.740 11.666 1.00 0.00 H new ATOM 0 HA PHE A 1 5.029 -13.883 11.304 1.00 0.00 H new ATOM 0 HB2 PHE A 1 4.251 -16.017 13.219 1.00 0.00 H new ATOM 0 HB3 PHE A 1 4.872 -14.582 14.012 1.00 0.00 H new ATOM 0 HD1 PHE A 1 1.924 -16.042 13.017 1.00 0.00 H new ATOM 0 HD2 PHE A 1 3.987 -12.289 12.639 1.00 0.00 H new ATOM 0 HE1 PHE A 1 -0.240 -14.889 12.682 1.00 0.00 H new ATOM 0 HE2 PHE A 1 1.818 -11.134 12.283 1.00 0.00 H new ATOM 0 HZ PHE A 1 -0.299 -12.437 12.316 1.00 0.00 H new ATOM 23 N VAL A 2 7.607 -13.745 11.630 1.00 0.00 N ATOM 24 CA VAL A 2 8.974 -13.382 12.096 1.00 0.00 C ATOM 25 C VAL A 2 8.882 -12.086 12.905 1.00 0.00 C ATOM 26 O VAL A 2 8.030 -11.935 13.758 1.00 0.00 O ATOM 27 CB VAL A 2 9.889 -13.177 10.880 1.00 0.00 C ATOM 28 CG1 VAL A 2 11.353 -13.370 11.282 1.00 0.00 C ATOM 29 CG2 VAL A 2 9.524 -14.189 9.799 1.00 0.00 C ATOM 0 H VAL A 2 7.382 -13.463 10.676 1.00 0.00 H new ATOM 0 HA VAL A 2 9.386 -14.177 12.718 1.00 0.00 H new ATOM 0 HB VAL A 2 9.756 -12.164 10.501 1.00 0.00 H new ATOM 0 HG11 VAL A 2 11.992 -13.222 10.411 1.00 0.00 H new ATOM 0 HG12 VAL A 2 11.617 -12.646 12.053 1.00 0.00 H new ATOM 0 HG13 VAL A 2 11.494 -14.379 11.668 1.00 0.00 H new ATOM 0 HG21 VAL A 2 10.172 -14.047 8.934 1.00 0.00 H new ATOM 0 HG22 VAL A 2 9.654 -15.199 10.187 1.00 0.00 H new ATOM 0 HG23 VAL A 2 8.485 -14.045 9.502 1.00 0.00 H new ATOM 39 N ASN A 3 9.739 -11.145 12.620 1.00 0.00 N ATOM 40 CA ASN A 3 9.709 -9.833 13.336 1.00 0.00 C ATOM 41 C ASN A 3 9.780 -8.725 12.290 1.00 0.00 C ATOM 42 O ASN A 3 10.649 -7.877 12.324 1.00 0.00 O ATOM 43 CB ASN A 3 10.907 -9.725 14.278 1.00 0.00 C ATOM 44 CG ASN A 3 10.715 -8.527 15.209 1.00 0.00 C ATOM 45 OD1 ASN A 3 11.414 -7.539 15.100 1.00 0.00 O ATOM 46 ND2 ASN A 3 9.789 -8.572 16.127 1.00 0.00 N ATOM 0 H ASN A 3 10.469 -11.228 11.913 1.00 0.00 H new ATOM 0 HA ASN A 3 8.796 -9.747 13.924 1.00 0.00 H new ATOM 0 HB2 ASN A 3 11.009 -10.640 14.861 1.00 0.00 H new ATOM 0 HB3 ASN A 3 11.826 -9.609 13.704 1.00 0.00 H new ATOM 0 HD21 ASN A 3 9.652 -7.778 16.753 1.00 0.00 H new ATOM 0 HD22 ASN A 3 9.202 -9.401 16.219 1.00 0.00 H new ATOM 53 N GLN A 4 8.868 -8.743 11.349 1.00 0.00 N ATOM 54 CA GLN A 4 8.854 -7.710 10.268 1.00 0.00 C ATOM 55 C GLN A 4 7.544 -6.924 10.338 1.00 0.00 C ATOM 56 O GLN A 4 6.648 -7.255 11.089 1.00 0.00 O ATOM 57 CB GLN A 4 8.962 -8.410 8.909 1.00 0.00 C ATOM 58 CG GLN A 4 8.112 -9.686 8.919 1.00 0.00 C ATOM 59 CD GLN A 4 8.000 -10.232 7.495 1.00 0.00 C ATOM 60 OE1 GLN A 4 8.061 -9.484 6.540 1.00 0.00 O ATOM 61 NE2 GLN A 4 7.840 -11.514 7.313 1.00 0.00 N ATOM 0 H GLN A 4 8.124 -9.438 11.284 1.00 0.00 H new ATOM 0 HA GLN A 4 9.693 -7.026 10.396 1.00 0.00 H new ATOM 0 HB2 GLN A 4 8.624 -7.742 8.117 1.00 0.00 H new ATOM 0 HB3 GLN A 4 10.003 -8.656 8.697 1.00 0.00 H new ATOM 0 HG2 GLN A 4 8.564 -10.432 9.572 1.00 0.00 H new ATOM 0 HG3 GLN A 4 7.120 -9.473 9.318 1.00 0.00 H new ATOM 0 HE21 GLN A 4 7.789 -12.141 8.116 1.00 0.00 H new ATOM 0 HE22 GLN A 4 7.766 -11.890 6.368 1.00 0.00 H new ATOM 70 N HIS A 5 7.429 -5.882 9.562 1.00 0.00 N ATOM 71 CA HIS A 5 6.185 -5.066 9.579 1.00 0.00 C ATOM 72 C HIS A 5 5.164 -5.658 8.604 1.00 0.00 C ATOM 73 O HIS A 5 5.498 -6.086 7.517 1.00 0.00 O ATOM 74 CB HIS A 5 6.520 -3.635 9.162 1.00 0.00 C ATOM 75 CG HIS A 5 7.696 -3.141 9.948 1.00 0.00 C ATOM 76 ND1 HIS A 5 8.904 -2.827 9.346 1.00 0.00 N ATOM 77 CD2 HIS A 5 7.863 -2.882 11.287 1.00 0.00 C ATOM 78 CE1 HIS A 5 9.737 -2.401 10.309 1.00 0.00 C ATOM 79 NE2 HIS A 5 9.152 -2.417 11.506 1.00 0.00 N ATOM 0 H HIS A 5 8.148 -5.560 8.914 1.00 0.00 H new ATOM 0 HA HIS A 5 5.762 -5.068 10.583 1.00 0.00 H new ATOM 0 HB2 HIS A 5 6.743 -3.600 8.096 1.00 0.00 H new ATOM 0 HB3 HIS A 5 5.660 -2.987 9.330 1.00 0.00 H new ATOM 0 HD2 HIS A 5 7.110 -3.019 12.049 1.00 0.00 H new ATOM 0 HE1 HIS A 5 10.755 -2.085 10.135 1.00 0.00 H new ATOM 0 HE2 HIS A 5 9.566 -2.144 12.398 1.00 0.00 H new ATOM 87 N LEU A 6 3.919 -5.680 8.992 1.00 0.00 N ATOM 88 CA LEU A 6 2.848 -6.238 8.109 1.00 0.00 C ATOM 89 C LEU A 6 2.197 -5.095 7.321 1.00 0.00 C ATOM 90 O LEU A 6 1.572 -4.229 7.896 1.00 0.00 O ATOM 91 CB LEU A 6 1.779 -6.895 9.002 1.00 0.00 C ATOM 92 CG LEU A 6 1.995 -8.410 9.125 1.00 0.00 C ATOM 93 CD1 LEU A 6 3.456 -8.723 9.485 1.00 0.00 C ATOM 94 CD2 LEU A 6 1.079 -8.948 10.224 1.00 0.00 C ATOM 0 H LEU A 6 3.591 -5.332 9.893 1.00 0.00 H new ATOM 0 HA LEU A 6 3.272 -6.967 7.418 1.00 0.00 H new ATOM 0 HB2 LEU A 6 1.804 -6.442 9.993 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.790 -6.701 8.588 1.00 0.00 H new ATOM 0 HG LEU A 6 1.765 -8.882 8.170 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.587 -9.802 9.567 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.114 -8.336 8.707 1.00 0.00 H new ATOM 0 HD13 LEU A 6 3.705 -8.254 10.437 1.00 0.00 H new ATOM 0 HD21 LEU A 6 1.222 -10.024 10.322 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.320 -8.462 11.169 1.00 0.00 H new ATOM 0 HD23 LEU A 6 0.040 -8.742 9.965 1.00 0.00 H new ATOM 106 N CYS A 7 2.313 -5.096 6.015 1.00 0.00 N ATOM 107 CA CYS A 7 1.684 -4.007 5.202 1.00 0.00 C ATOM 108 C CYS A 7 0.863 -4.597 4.054 1.00 0.00 C ATOM 109 O CYS A 7 1.350 -5.359 3.243 1.00 0.00 O ATOM 110 CB CYS A 7 2.786 -3.109 4.645 1.00 0.00 C ATOM 111 SG CYS A 7 3.732 -2.414 6.023 1.00 0.00 S ATOM 0 H CYS A 7 2.815 -5.802 5.477 1.00 0.00 H new ATOM 0 HA CYS A 7 1.014 -3.426 5.836 1.00 0.00 H new ATOM 0 HB2 CYS A 7 3.442 -3.681 3.989 1.00 0.00 H new ATOM 0 HB3 CYS A 7 2.353 -2.309 4.045 1.00 0.00 H new ATOM 116 N GLY A 8 -0.386 -4.221 3.982 1.00 0.00 N ATOM 117 CA GLY A 8 -1.277 -4.714 2.894 1.00 0.00 C ATOM 118 C GLY A 8 -1.428 -6.235 2.951 1.00 0.00 C ATOM 119 O GLY A 8 -1.624 -6.815 3.999 1.00 0.00 O ATOM 0 H GLY A 8 -0.832 -3.584 4.642 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -2.257 -4.245 2.982 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -0.870 -4.422 1.926 1.00 0.00 H new ATOM 123 N SER A 9 -1.361 -6.879 1.816 1.00 0.00 N ATOM 124 CA SER A 9 -1.522 -8.361 1.770 1.00 0.00 C ATOM 125 C SER A 9 -0.733 -9.022 2.901 1.00 0.00 C ATOM 126 O SER A 9 -1.090 -10.079 3.378 1.00 0.00 O ATOM 127 CB SER A 9 -1.012 -8.885 0.427 1.00 0.00 C ATOM 128 OG SER A 9 -1.771 -8.300 -0.623 1.00 0.00 O ATOM 0 H SER A 9 -1.200 -6.437 0.911 1.00 0.00 H new ATOM 0 HA SER A 9 -2.578 -8.602 1.889 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.044 -8.643 0.306 1.00 0.00 H new ATOM 0 HB3 SER A 9 -1.097 -9.971 0.391 1.00 0.00 H new ATOM 0 HG SER A 9 -1.446 -8.632 -1.486 1.00 0.00 H new ATOM 134 N HIS A 10 0.336 -8.420 3.338 1.00 0.00 N ATOM 135 CA HIS A 10 1.124 -9.043 4.433 1.00 0.00 C ATOM 136 C HIS A 10 0.282 -9.039 5.711 1.00 0.00 C ATOM 137 O HIS A 10 0.382 -9.924 6.537 1.00 0.00 O ATOM 138 CB HIS A 10 2.425 -8.249 4.640 1.00 0.00 C ATOM 139 CG HIS A 10 3.525 -9.167 5.112 1.00 0.00 C ATOM 140 ND1 HIS A 10 4.793 -9.151 4.546 1.00 0.00 N ATOM 141 CD2 HIS A 10 3.557 -10.142 6.079 1.00 0.00 C ATOM 142 CE1 HIS A 10 5.528 -10.091 5.171 1.00 0.00 C ATOM 143 NE2 HIS A 10 4.820 -10.719 6.110 1.00 0.00 N ATOM 0 H HIS A 10 0.695 -7.532 2.988 1.00 0.00 H new ATOM 0 HA HIS A 10 1.381 -10.071 4.178 1.00 0.00 H new ATOM 0 HB2 HIS A 10 2.718 -7.767 3.707 1.00 0.00 H new ATOM 0 HB3 HIS A 10 2.264 -7.457 5.371 1.00 0.00 H new ATOM 0 HD2 HIS A 10 2.729 -10.417 6.716 1.00 0.00 H new ATOM 0 HE1 HIS A 10 6.560 -10.308 4.941 1.00 0.00 H new ATOM 0 HE2 HIS A 10 5.140 -11.468 6.724 1.00 0.00 H new ATOM 151 N LEU A 11 -0.552 -8.049 5.875 1.00 0.00 N ATOM 152 CA LEU A 11 -1.406 -7.990 7.091 1.00 0.00 C ATOM 153 C LEU A 11 -2.486 -9.059 6.975 1.00 0.00 C ATOM 154 O LEU A 11 -2.668 -9.873 7.858 1.00 0.00 O ATOM 155 CB LEU A 11 -2.031 -6.586 7.200 1.00 0.00 C ATOM 156 CG LEU A 11 -2.909 -6.435 8.460 1.00 0.00 C ATOM 157 CD1 LEU A 11 -2.244 -7.066 9.699 1.00 0.00 C ATOM 158 CD2 LEU A 11 -3.177 -4.939 8.735 1.00 0.00 C ATOM 0 H LEU A 11 -0.678 -7.279 5.218 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.817 -8.176 7.989 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.238 -5.838 7.220 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.634 -6.389 6.313 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.847 -6.958 8.272 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.894 -6.939 10.565 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.079 -8.129 9.522 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.288 -6.577 9.887 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.797 -4.838 9.626 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.230 -4.423 8.892 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.693 -4.499 7.882 1.00 0.00 H new ATOM 170 N VAL A 12 -3.187 -9.080 5.882 1.00 0.00 N ATOM 171 CA VAL A 12 -4.234 -10.116 5.696 1.00 0.00 C ATOM 172 C VAL A 12 -3.577 -11.487 5.808 1.00 0.00 C ATOM 173 O VAL A 12 -3.921 -12.287 6.654 1.00 0.00 O ATOM 174 CB VAL A 12 -4.856 -9.949 4.300 1.00 0.00 C ATOM 175 CG1 VAL A 12 -5.821 -11.124 3.945 1.00 0.00 C ATOM 176 CG2 VAL A 12 -5.612 -8.617 4.273 1.00 0.00 C ATOM 0 H VAL A 12 -3.081 -8.424 5.108 1.00 0.00 H new ATOM 0 HA VAL A 12 -5.013 -10.017 6.452 1.00 0.00 H new ATOM 0 HB VAL A 12 -4.061 -9.958 3.554 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -6.238 -10.965 2.950 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -5.270 -12.065 3.962 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.630 -11.164 4.675 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.063 -8.475 3.291 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.393 -8.626 5.033 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -4.918 -7.801 4.475 1.00 0.00 H new ATOM 186 N GLU A 13 -2.641 -11.762 4.945 1.00 0.00 N ATOM 187 CA GLU A 13 -1.955 -13.083 4.974 1.00 0.00 C ATOM 188 C GLU A 13 -1.616 -13.466 6.410 1.00 0.00 C ATOM 189 O GLU A 13 -1.558 -14.627 6.744 1.00 0.00 O ATOM 190 CB GLU A 13 -0.669 -13.007 4.151 1.00 0.00 C ATOM 191 CG GLU A 13 -1.026 -12.852 2.672 1.00 0.00 C ATOM 192 CD GLU A 13 0.194 -12.350 1.896 1.00 0.00 C ATOM 193 OE1 GLU A 13 0.893 -13.175 1.332 1.00 0.00 O ATOM 194 OE2 GLU A 13 0.407 -11.149 1.878 1.00 0.00 O ATOM 0 H GLU A 13 -2.320 -11.125 4.216 1.00 0.00 H new ATOM 0 HA GLU A 13 -2.618 -13.838 4.551 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -0.061 -12.164 4.481 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.073 -13.907 4.301 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.359 -13.807 2.266 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -1.854 -12.152 2.559 1.00 0.00 H new ATOM 201 N ALA A 14 -1.393 -12.504 7.265 1.00 0.00 N ATOM 202 CA ALA A 14 -1.059 -12.836 8.678 1.00 0.00 C ATOM 203 C ALA A 14 -2.351 -13.019 9.484 1.00 0.00 C ATOM 204 O ALA A 14 -2.603 -14.070 10.039 1.00 0.00 O ATOM 205 CB ALA A 14 -0.225 -11.696 9.272 1.00 0.00 C ATOM 0 H ALA A 14 -1.428 -11.508 7.047 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.487 -13.763 8.717 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.025 -11.929 10.307 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.692 -11.577 8.695 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.798 -10.769 9.237 1.00 0.00 H new ATOM 211 N LEU A 15 -3.171 -12.003 9.556 1.00 0.00 N ATOM 212 CA LEU A 15 -4.443 -12.122 10.330 1.00 0.00 C ATOM 213 C LEU A 15 -5.144 -13.429 9.961 1.00 0.00 C ATOM 214 O LEU A 15 -5.744 -14.083 10.790 1.00 0.00 O ATOM 215 CB LEU A 15 -5.370 -10.951 9.980 1.00 0.00 C ATOM 216 CG LEU A 15 -4.916 -9.669 10.711 1.00 0.00 C ATOM 217 CD1 LEU A 15 -5.360 -8.424 9.929 1.00 0.00 C ATOM 218 CD2 LEU A 15 -5.545 -9.619 12.109 1.00 0.00 C ATOM 0 H LEU A 15 -3.016 -11.097 9.113 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.215 -12.109 11.396 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.365 -10.784 8.903 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.395 -11.194 10.260 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.829 -9.683 10.789 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.033 -7.528 10.456 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.916 -8.442 8.934 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.446 -8.418 9.842 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.222 -8.713 12.621 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -6.631 -9.617 12.019 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.229 -10.491 12.681 1.00 0.00 H new ATOM 230 N TYR A 16 -5.075 -13.806 8.718 1.00 0.00 N ATOM 231 CA TYR A 16 -5.736 -15.060 8.278 1.00 0.00 C ATOM 232 C TYR A 16 -5.309 -16.201 9.216 1.00 0.00 C ATOM 233 O TYR A 16 -6.112 -17.019 9.620 1.00 0.00 O ATOM 234 CB TYR A 16 -5.319 -15.329 6.819 1.00 0.00 C ATOM 235 CG TYR A 16 -5.307 -16.815 6.515 1.00 0.00 C ATOM 236 CD1 TYR A 16 -4.182 -17.398 5.917 1.00 0.00 C ATOM 237 CD2 TYR A 16 -6.415 -17.606 6.840 1.00 0.00 C ATOM 238 CE1 TYR A 16 -4.165 -18.768 5.644 1.00 0.00 C ATOM 239 CE2 TYR A 16 -6.398 -18.979 6.565 1.00 0.00 C ATOM 240 CZ TYR A 16 -5.273 -19.560 5.967 1.00 0.00 C ATOM 241 OH TYR A 16 -5.256 -20.913 5.697 1.00 0.00 O ATOM 0 H TYR A 16 -4.585 -13.295 7.983 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.822 -14.982 8.322 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -6.007 -14.823 6.142 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -4.329 -14.911 6.638 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -3.327 -16.788 5.667 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -7.282 -17.158 7.302 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -3.297 -19.216 5.184 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -7.253 -19.590 6.814 1.00 0.00 H new ATOM 0 HH TYR A 16 -6.102 -21.315 5.985 1.00 0.00 H new ATOM 251 N LEU A 17 -4.054 -16.253 9.569 1.00 0.00 N ATOM 252 CA LEU A 17 -3.577 -17.329 10.482 1.00 0.00 C ATOM 253 C LEU A 17 -4.002 -16.988 11.908 1.00 0.00 C ATOM 254 O LEU A 17 -4.572 -17.797 12.614 1.00 0.00 O ATOM 255 CB LEU A 17 -2.046 -17.415 10.432 1.00 0.00 C ATOM 256 CG LEU A 17 -1.576 -18.003 9.086 1.00 0.00 C ATOM 257 CD1 LEU A 17 -1.513 -16.903 8.025 1.00 0.00 C ATOM 258 CD2 LEU A 17 -0.175 -18.601 9.253 1.00 0.00 C ATOM 0 H LEU A 17 -3.337 -15.595 9.264 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.005 -18.283 10.173 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.616 -16.423 10.571 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.685 -18.036 11.252 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.281 -18.773 8.774 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.180 -17.329 7.079 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.502 -16.464 7.897 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.812 -16.131 8.342 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.159 -19.017 8.302 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.518 -17.822 9.571 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.203 -19.390 10.004 1.00 0.00 H new ATOM 270 N VAL A 18 -3.725 -15.790 12.331 1.00 0.00 N ATOM 271 CA VAL A 18 -4.104 -15.371 13.710 1.00 0.00 C ATOM 272 C VAL A 18 -5.581 -15.703 13.945 1.00 0.00 C ATOM 273 O VAL A 18 -5.940 -16.379 14.888 1.00 0.00 O ATOM 274 CB VAL A 18 -3.899 -13.857 13.854 1.00 0.00 C ATOM 275 CG1 VAL A 18 -4.080 -13.445 15.308 1.00 0.00 C ATOM 276 CG2 VAL A 18 -2.488 -13.468 13.407 1.00 0.00 C ATOM 0 H VAL A 18 -3.249 -15.076 11.779 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.485 -15.896 14.438 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.634 -13.350 13.229 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.933 -12.369 15.402 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.086 -13.704 15.637 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.350 -13.967 15.927 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.356 -12.391 13.514 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.755 -13.987 14.025 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.347 -13.749 12.363 1.00 0.00 H new ATOM 286 N CYS A 19 -6.436 -15.217 13.089 1.00 0.00 N ATOM 287 CA CYS A 19 -7.896 -15.472 13.236 1.00 0.00 C ATOM 288 C CYS A 19 -8.246 -16.872 12.734 1.00 0.00 C ATOM 289 O CYS A 19 -9.260 -17.435 13.097 1.00 0.00 O ATOM 290 CB CYS A 19 -8.641 -14.436 12.401 1.00 0.00 C ATOM 291 SG CYS A 19 -7.857 -12.839 12.672 1.00 0.00 S ATOM 0 H CYS A 19 -6.181 -14.646 12.283 1.00 0.00 H new ATOM 0 HA CYS A 19 -8.179 -15.401 14.286 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -8.608 -14.703 11.345 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -9.692 -14.399 12.688 1.00 0.00 H new ATOM 296 N GLY A 20 -7.429 -17.435 11.891 1.00 0.00 N ATOM 297 CA GLY A 20 -7.743 -18.789 11.364 1.00 0.00 C ATOM 298 C GLY A 20 -9.129 -18.757 10.720 1.00 0.00 C ATOM 299 O GLY A 20 -9.353 -18.071 9.743 1.00 0.00 O ATOM 0 H GLY A 20 -6.564 -17.020 11.546 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -6.994 -19.093 10.633 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -7.718 -19.523 12.170 1.00 0.00 H new ATOM 303 N GLU A 21 -10.064 -19.492 11.259 1.00 0.00 N ATOM 304 CA GLU A 21 -11.439 -19.499 10.676 1.00 0.00 C ATOM 305 C GLU A 21 -12.254 -18.332 11.239 1.00 0.00 C ATOM 306 O GLU A 21 -13.206 -17.882 10.633 1.00 0.00 O ATOM 307 CB GLU A 21 -12.134 -20.819 11.019 1.00 0.00 C ATOM 308 CG GLU A 21 -11.189 -21.991 10.733 1.00 0.00 C ATOM 309 CD GLU A 21 -10.146 -22.097 11.849 1.00 0.00 C ATOM 310 OE1 GLU A 21 -10.497 -22.571 12.917 1.00 0.00 O ATOM 311 OE2 GLU A 21 -9.015 -21.703 11.615 1.00 0.00 O ATOM 0 H GLU A 21 -9.937 -20.088 12.077 1.00 0.00 H new ATOM 0 HA GLU A 21 -11.366 -19.394 9.593 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -12.428 -20.824 12.069 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -13.047 -20.924 10.432 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -11.756 -22.919 10.663 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.695 -21.846 9.772 1.00 0.00 H new ATOM 318 N ARG A 22 -11.897 -17.841 12.393 1.00 0.00 N ATOM 319 CA ARG A 22 -12.665 -16.707 12.982 1.00 0.00 C ATOM 320 C ARG A 22 -12.721 -15.557 11.977 1.00 0.00 C ATOM 321 O ARG A 22 -13.722 -14.879 11.849 1.00 0.00 O ATOM 322 CB ARG A 22 -11.982 -16.237 14.268 1.00 0.00 C ATOM 323 CG ARG A 22 -12.084 -17.341 15.330 1.00 0.00 C ATOM 324 CD ARG A 22 -11.493 -16.857 16.672 1.00 0.00 C ATOM 325 NE ARG A 22 -10.647 -17.939 17.275 1.00 0.00 N ATOM 326 CZ ARG A 22 -11.073 -19.175 17.347 1.00 0.00 C ATOM 327 NH1 ARG A 22 -10.279 -20.108 17.796 1.00 0.00 N ATOM 328 NH2 ARG A 22 -12.295 -19.476 17.005 1.00 0.00 N ATOM 0 H ARG A 22 -11.111 -18.173 12.952 1.00 0.00 H new ATOM 0 HA ARG A 22 -13.678 -17.035 13.214 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -10.936 -16.000 14.072 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -12.453 -15.323 14.630 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -13.127 -17.627 15.467 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -11.552 -18.230 14.991 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -10.894 -15.960 16.514 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -12.296 -16.587 17.357 1.00 0.00 H new ATOM 0 HE ARG A 22 -9.722 -17.707 17.636 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -9.331 -19.873 18.089 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -10.607 -21.072 17.854 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -12.928 -18.746 16.678 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -12.618 -20.442 17.064 1.00 0.00 H new ATOM 342 N GLY A 23 -11.658 -15.337 11.254 1.00 0.00 N ATOM 343 CA GLY A 23 -11.657 -14.237 10.246 1.00 0.00 C ATOM 344 C GLY A 23 -11.531 -12.877 10.942 1.00 0.00 C ATOM 345 O GLY A 23 -11.740 -12.751 12.131 1.00 0.00 O ATOM 0 H GLY A 23 -10.791 -15.870 11.317 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.830 -14.374 9.549 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -12.576 -14.270 9.661 1.00 0.00 H new ATOM 349 N PHE A 24 -11.198 -11.858 10.192 1.00 0.00 N ATOM 350 CA PHE A 24 -11.055 -10.481 10.763 1.00 0.00 C ATOM 351 C PHE A 24 -11.680 -9.495 9.780 1.00 0.00 C ATOM 352 O PHE A 24 -12.061 -9.865 8.687 1.00 0.00 O ATOM 353 CB PHE A 24 -9.577 -10.140 10.930 1.00 0.00 C ATOM 354 CG PHE A 24 -8.867 -10.364 9.619 1.00 0.00 C ATOM 355 CD1 PHE A 24 -8.639 -11.669 9.160 1.00 0.00 C ATOM 356 CD2 PHE A 24 -8.444 -9.268 8.857 1.00 0.00 C ATOM 357 CE1 PHE A 24 -7.990 -11.877 7.940 1.00 0.00 C ATOM 358 CE2 PHE A 24 -7.790 -9.477 7.635 1.00 0.00 C ATOM 359 CZ PHE A 24 -7.567 -10.783 7.180 1.00 0.00 C ATOM 0 H PHE A 24 -11.016 -11.922 9.190 1.00 0.00 H new ATOM 0 HA PHE A 24 -11.547 -10.428 11.734 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -9.464 -9.103 11.246 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -9.134 -10.761 11.708 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -8.965 -12.513 9.749 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -8.621 -8.263 9.210 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -7.816 -12.882 7.585 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -7.459 -8.634 7.046 1.00 0.00 H new ATOM 0 HZ PHE A 24 -7.066 -10.945 6.237 1.00 0.00 H new ATOM 369 N PHE A 25 -11.792 -8.245 10.152 1.00 0.00 N ATOM 370 CA PHE A 25 -12.393 -7.231 9.240 1.00 0.00 C ATOM 371 C PHE A 25 -11.301 -6.255 8.778 1.00 0.00 C ATOM 372 O PHE A 25 -10.648 -5.617 9.581 1.00 0.00 O ATOM 373 CB PHE A 25 -13.487 -6.487 10.013 1.00 0.00 C ATOM 374 CG PHE A 25 -12.860 -5.484 10.956 1.00 0.00 C ATOM 375 CD1 PHE A 25 -12.863 -4.132 10.623 1.00 0.00 C ATOM 376 CD2 PHE A 25 -12.268 -5.911 12.148 1.00 0.00 C ATOM 377 CE1 PHE A 25 -12.274 -3.195 11.479 1.00 0.00 C ATOM 378 CE2 PHE A 25 -11.679 -4.977 13.006 1.00 0.00 C ATOM 379 CZ PHE A 25 -11.681 -3.618 12.672 1.00 0.00 C ATOM 0 H PHE A 25 -11.490 -7.883 11.056 1.00 0.00 H new ATOM 0 HA PHE A 25 -12.825 -7.707 8.360 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -14.154 -5.978 9.317 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -14.094 -7.197 10.575 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -13.321 -3.806 9.701 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -12.265 -6.960 12.406 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -12.278 -2.147 11.218 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -11.222 -5.305 13.928 1.00 0.00 H new ATOM 0 HZ PHE A 25 -11.225 -2.897 13.335 1.00 0.00 H new ATOM 389 N TYR A 26 -11.095 -6.129 7.495 1.00 0.00 N ATOM 390 CA TYR A 26 -10.046 -5.186 6.998 1.00 0.00 C ATOM 391 C TYR A 26 -10.689 -3.816 6.766 1.00 0.00 C ATOM 392 O TYR A 26 -11.896 -3.677 6.796 1.00 0.00 O ATOM 393 CB TYR A 26 -9.448 -5.718 5.682 1.00 0.00 C ATOM 394 CG TYR A 26 -8.047 -5.167 5.494 1.00 0.00 C ATOM 395 CD1 TYR A 26 -7.012 -5.604 6.328 1.00 0.00 C ATOM 396 CD2 TYR A 26 -7.783 -4.227 4.488 1.00 0.00 C ATOM 397 CE1 TYR A 26 -5.715 -5.106 6.161 1.00 0.00 C ATOM 398 CE2 TYR A 26 -6.484 -3.726 4.322 1.00 0.00 C ATOM 399 CZ TYR A 26 -5.451 -4.166 5.158 1.00 0.00 C ATOM 400 OH TYR A 26 -4.172 -3.675 4.993 1.00 0.00 O ATOM 0 H TYR A 26 -11.604 -6.635 6.770 1.00 0.00 H new ATOM 0 HA TYR A 26 -9.246 -5.097 7.733 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -9.421 -6.808 5.699 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -10.079 -5.428 4.842 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -7.215 -6.328 7.103 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -8.579 -3.889 3.842 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -4.918 -5.447 6.806 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -6.280 -3.000 3.549 1.00 0.00 H new ATOM 0 HH TYR A 26 -4.161 -3.033 4.253 1.00 0.00 H new ATOM 410 N THR A 27 -9.901 -2.804 6.542 1.00 0.00 N ATOM 411 CA THR A 27 -10.484 -1.452 6.318 1.00 0.00 C ATOM 412 C THR A 27 -11.214 -1.437 4.958 1.00 0.00 C ATOM 413 O THR A 27 -10.756 -2.071 4.029 1.00 0.00 O ATOM 414 CB THR A 27 -9.353 -0.421 6.299 1.00 0.00 C ATOM 415 OG1 THR A 27 -9.881 0.859 5.984 1.00 0.00 O ATOM 416 CG2 THR A 27 -8.319 -0.820 5.248 1.00 0.00 C ATOM 0 H THR A 27 -8.883 -2.853 6.504 1.00 0.00 H new ATOM 0 HA THR A 27 -11.189 -1.211 7.114 1.00 0.00 H new ATOM 0 HB THR A 27 -8.879 -0.384 7.280 1.00 0.00 H new ATOM 0 HG1 THR A 27 -9.145 1.484 5.817 1.00 0.00 H new ATOM 0 HG21 THR A 27 -7.513 -0.086 5.234 1.00 0.00 H new ATOM 0 HG22 THR A 27 -7.912 -1.801 5.492 1.00 0.00 H new ATOM 0 HG23 THR A 27 -8.793 -0.858 4.267 1.00 0.00 H new ATOM 424 N PRO A 28 -12.321 -0.718 4.852 1.00 0.00 N ATOM 425 CA PRO A 28 -13.064 -0.650 3.584 1.00 0.00 C ATOM 426 C PRO A 28 -12.143 -0.122 2.476 1.00 0.00 C ATOM 427 O PRO A 28 -11.573 -0.877 1.714 1.00 0.00 O ATOM 428 CB PRO A 28 -14.244 0.320 3.863 1.00 0.00 C ATOM 429 CG PRO A 28 -14.059 0.870 5.302 1.00 0.00 C ATOM 430 CD PRO A 28 -12.918 0.067 5.952 1.00 0.00 C ATOM 0 HA PRO A 28 -13.427 -1.621 3.248 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -14.252 1.134 3.138 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -15.198 -0.199 3.770 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -13.818 1.933 5.280 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -14.980 0.764 5.876 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -12.182 0.728 6.409 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -13.294 -0.584 6.741 1.00 0.00 H new ATOM 438 N ARG A 29 -12.008 1.170 2.377 1.00 0.00 N ATOM 439 CA ARG A 29 -11.144 1.753 1.318 1.00 0.00 C ATOM 440 C ARG A 29 -10.864 3.219 1.651 1.00 0.00 C ATOM 441 O ARG A 29 -10.338 3.962 0.847 1.00 0.00 O ATOM 442 CB ARG A 29 -11.871 1.667 -0.033 1.00 0.00 C ATOM 443 CG ARG A 29 -13.295 2.283 0.073 1.00 0.00 C ATOM 444 CD ARG A 29 -14.362 1.180 0.191 1.00 0.00 C ATOM 445 NE ARG A 29 -14.460 0.445 -1.101 1.00 0.00 N ATOM 446 CZ ARG A 29 -15.072 -0.706 -1.153 1.00 0.00 C ATOM 447 NH1 ARG A 29 -15.171 -1.341 -2.289 1.00 0.00 N ATOM 448 NH2 ARG A 29 -15.581 -1.225 -0.069 1.00 0.00 N ATOM 0 H ARG A 29 -12.462 1.849 2.988 1.00 0.00 H new ATOM 0 HA ARG A 29 -10.205 1.203 1.263 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -11.297 2.193 -0.795 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -11.941 0.626 -0.349 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -13.348 2.940 0.941 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -13.496 2.897 -0.805 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -14.101 0.491 0.995 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -15.327 1.618 0.447 1.00 0.00 H new ATOM 0 HE ARG A 29 -14.048 0.842 -1.946 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -14.770 -0.937 -3.136 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -15.649 -2.241 -2.330 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -15.500 -0.731 0.820 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -16.059 -2.125 -0.110 1.00 0.00 H new ATOM 462 N THR A 30 -11.220 3.641 2.833 1.00 0.00 N ATOM 463 CA THR A 30 -10.984 5.060 3.222 1.00 0.00 C ATOM 464 C THR A 30 -9.485 5.364 3.171 1.00 0.00 C ATOM 465 O THR A 30 -8.809 5.374 4.180 1.00 0.00 O ATOM 466 CB THR A 30 -11.504 5.292 4.643 1.00 0.00 C ATOM 467 OG1 THR A 30 -10.896 4.361 5.526 1.00 0.00 O ATOM 468 CG2 THR A 30 -13.023 5.107 4.669 1.00 0.00 C ATOM 0 H THR A 30 -11.665 3.064 3.547 1.00 0.00 H new ATOM 0 HA THR A 30 -11.510 5.718 2.530 1.00 0.00 H new ATOM 0 HB THR A 30 -11.259 6.306 4.959 1.00 0.00 H new ATOM 0 HG1 THR A 30 -9.922 4.464 5.490 1.00 0.00 H new ATOM 0 HG21 THR A 30 -13.392 5.272 5.681 1.00 0.00 H new ATOM 0 HG22 THR A 30 -13.488 5.823 3.991 1.00 0.00 H new ATOM 0 HG23 THR A 30 -13.272 4.094 4.353 1.00 0.00 H new ATOM 476 N GLU A 31 -8.962 5.616 2.002 1.00 0.00 N ATOM 477 CA GLU A 31 -7.509 5.923 1.886 1.00 0.00 C ATOM 478 C GLU A 31 -7.182 7.151 2.738 1.00 0.00 C ATOM 479 O GLU A 31 -6.033 7.481 2.955 1.00 0.00 O ATOM 480 CB GLU A 31 -7.164 6.211 0.424 1.00 0.00 C ATOM 481 CG GLU A 31 -7.591 5.027 -0.445 1.00 0.00 C ATOM 482 CD GLU A 31 -7.042 5.208 -1.861 1.00 0.00 C ATOM 483 OE1 GLU A 31 -7.826 5.138 -2.793 1.00 0.00 O ATOM 484 OE2 GLU A 31 -5.846 5.413 -1.989 1.00 0.00 O ATOM 0 H GLU A 31 -9.479 5.622 1.123 1.00 0.00 H new ATOM 0 HA GLU A 31 -6.927 5.070 2.235 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.668 7.119 0.093 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -6.093 6.385 0.320 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.221 4.096 -0.016 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.678 4.955 -0.472 1.00 0.00 H new ATOM 491 N GLU A 32 -8.186 7.831 3.221 1.00 0.00 N ATOM 492 CA GLU A 32 -7.936 9.039 4.058 1.00 0.00 C ATOM 493 C GLU A 32 -7.541 8.606 5.469 1.00 0.00 C ATOM 494 O GLU A 32 -6.854 9.314 6.179 1.00 0.00 O ATOM 495 CB GLU A 32 -9.207 9.887 4.121 1.00 0.00 C ATOM 496 CG GLU A 32 -9.672 10.221 2.702 1.00 0.00 C ATOM 497 CD GLU A 32 -8.672 11.177 2.048 1.00 0.00 C ATOM 498 OE1 GLU A 32 -8.600 12.315 2.481 1.00 0.00 O ATOM 499 OE2 GLU A 32 -7.997 10.754 1.124 1.00 0.00 O ATOM 0 H GLU A 32 -9.169 7.602 3.072 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.130 9.626 3.619 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.990 9.348 4.654 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -9.017 10.805 4.678 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -9.758 9.309 2.112 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -10.662 10.677 2.730 1.00 0.00 H new ATOM 506 N GLY A 33 -7.969 7.445 5.881 1.00 0.00 N ATOM 507 CA GLY A 33 -7.620 6.954 7.247 1.00 0.00 C ATOM 508 C GLY A 33 -8.645 7.470 8.259 1.00 0.00 C ATOM 509 O GLY A 33 -9.357 8.422 8.008 1.00 0.00 O ATOM 0 H GLY A 33 -8.548 6.812 5.329 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -7.601 5.864 7.258 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -6.621 7.293 7.522 1.00 0.00 H new ATOM 513 N SER A 34 -8.724 6.847 9.405 1.00 0.00 N ATOM 514 CA SER A 34 -9.698 7.293 10.442 1.00 0.00 C ATOM 515 C SER A 34 -9.194 6.860 11.821 1.00 0.00 C ATOM 516 O SER A 34 -8.372 7.521 12.423 1.00 0.00 O ATOM 517 CB SER A 34 -11.060 6.657 10.162 1.00 0.00 C ATOM 518 OG SER A 34 -11.986 7.068 11.158 1.00 0.00 O ATOM 0 H SER A 34 -8.152 6.044 9.668 1.00 0.00 H new ATOM 0 HA SER A 34 -9.798 8.378 10.418 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.416 6.952 9.175 1.00 0.00 H new ATOM 0 HB3 SER A 34 -10.972 5.571 10.157 1.00 0.00 H new ATOM 0 HG SER A 34 -12.860 6.663 10.979 1.00 0.00 H new ATOM 524 N ARG A 35 -9.678 5.751 12.323 1.00 0.00 N ATOM 525 CA ARG A 35 -9.230 5.255 13.665 1.00 0.00 C ATOM 526 C ARG A 35 -8.916 3.758 13.567 1.00 0.00 C ATOM 527 O ARG A 35 -7.836 3.316 13.904 1.00 0.00 O ATOM 528 CB ARG A 35 -10.336 5.491 14.713 1.00 0.00 C ATOM 529 CG ARG A 35 -11.726 5.332 14.085 1.00 0.00 C ATOM 530 CD ARG A 35 -12.794 5.668 15.126 1.00 0.00 C ATOM 531 NE ARG A 35 -14.118 5.173 14.655 1.00 0.00 N ATOM 532 CZ ARG A 35 -15.117 5.086 15.490 1.00 0.00 C ATOM 533 NH1 ARG A 35 -16.275 4.646 15.079 1.00 0.00 N ATOM 534 NH2 ARG A 35 -14.959 5.439 16.736 1.00 0.00 N ATOM 0 H ARG A 35 -10.370 5.162 11.858 1.00 0.00 H new ATOM 0 HA ARG A 35 -8.336 5.798 13.973 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -10.221 4.785 15.535 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -10.235 6.491 15.135 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -11.824 5.990 13.221 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -11.861 4.312 13.726 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -12.542 5.210 16.083 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -12.833 6.745 15.288 1.00 0.00 H new ATOM 0 HE ARG A 35 -14.244 4.902 13.680 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -16.399 4.370 14.105 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -17.056 4.578 15.732 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -14.054 5.783 17.058 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -15.740 5.371 17.388 1.00 0.00 H new ATOM 548 N ARG A 36 -9.853 2.977 13.111 1.00 0.00 N ATOM 549 CA ARG A 36 -9.614 1.512 12.993 1.00 0.00 C ATOM 550 C ARG A 36 -8.444 1.258 12.045 1.00 0.00 C ATOM 551 O ARG A 36 -7.424 0.716 12.422 1.00 0.00 O ATOM 552 CB ARG A 36 -10.878 0.829 12.446 1.00 0.00 C ATOM 553 CG ARG A 36 -12.129 1.528 13.011 1.00 0.00 C ATOM 554 CD ARG A 36 -13.387 0.622 12.903 1.00 0.00 C ATOM 555 NE ARG A 36 -14.035 0.457 14.251 1.00 0.00 N ATOM 556 CZ ARG A 36 -13.360 0.061 15.301 1.00 0.00 C ATOM 557 NH1 ARG A 36 -13.956 -0.024 16.459 1.00 0.00 N ATOM 558 NH2 ARG A 36 -12.103 -0.267 15.195 1.00 0.00 N ATOM 0 H ARG A 36 -10.777 3.290 12.814 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.377 1.103 13.975 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -10.885 0.873 11.357 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -10.882 -0.225 12.722 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -11.959 1.793 14.055 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -12.302 2.458 12.470 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -14.098 1.059 12.202 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -13.107 -0.354 12.506 1.00 0.00 H new ATOM 0 HE ARG A 36 -15.030 0.660 14.350 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -14.943 0.217 16.543 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -13.434 -0.332 17.280 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -11.637 -0.216 14.289 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -11.585 -0.574 16.018 1.00 0.00 H new ATOM 572 N SER A 37 -8.603 1.642 10.812 1.00 0.00 N ATOM 573 CA SER A 37 -7.524 1.431 9.799 1.00 0.00 C ATOM 574 C SER A 37 -6.158 1.768 10.404 1.00 0.00 C ATOM 575 O SER A 37 -5.323 0.903 10.584 1.00 0.00 O ATOM 576 CB SER A 37 -7.779 2.331 8.587 1.00 0.00 C ATOM 577 OG SER A 37 -6.540 2.644 7.965 1.00 0.00 O ATOM 0 H SER A 37 -9.442 2.099 10.455 1.00 0.00 H new ATOM 0 HA SER A 37 -7.528 0.386 9.490 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.438 1.829 7.879 1.00 0.00 H new ATOM 0 HB3 SER A 37 -8.284 3.245 8.898 1.00 0.00 H new ATOM 0 HG SER A 37 -6.700 3.219 7.188 1.00 0.00 H new ATOM 583 N ARG A 38 -5.918 3.011 10.724 1.00 0.00 N ATOM 584 CA ARG A 38 -4.602 3.372 11.317 1.00 0.00 C ATOM 585 C ARG A 38 -4.416 2.583 12.612 1.00 0.00 C ATOM 586 O ARG A 38 -3.332 2.484 13.148 1.00 0.00 O ATOM 587 CB ARG A 38 -4.553 4.873 11.611 1.00 0.00 C ATOM 588 CG ARG A 38 -5.670 5.246 12.589 1.00 0.00 C ATOM 589 CD ARG A 38 -5.721 6.768 12.751 1.00 0.00 C ATOM 590 NE ARG A 38 -4.337 7.312 12.956 1.00 0.00 N ATOM 591 CZ ARG A 38 -3.574 6.900 13.935 1.00 0.00 C ATOM 592 NH1 ARG A 38 -2.339 7.313 14.009 1.00 0.00 N ATOM 593 NH2 ARG A 38 -4.051 6.121 14.866 1.00 0.00 N ATOM 0 H ARG A 38 -6.571 3.785 10.601 1.00 0.00 H new ATOM 0 HA ARG A 38 -3.803 3.130 10.616 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -3.584 5.139 12.033 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -4.664 5.438 10.685 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -6.628 4.877 12.222 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -5.495 4.773 13.555 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -6.171 7.221 11.867 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -6.353 7.030 13.600 1.00 0.00 H new ATOM 0 HE ARG A 38 -3.982 8.022 12.315 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -1.973 7.954 13.305 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -1.740 6.995 14.770 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -5.027 5.828 14.835 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -3.448 5.805 15.625 1.00 0.00 H new ATOM 607 N GLY A 39 -5.471 2.006 13.113 1.00 0.00 N ATOM 608 CA GLY A 39 -5.358 1.207 14.363 1.00 0.00 C ATOM 609 C GLY A 39 -4.865 -0.197 14.012 1.00 0.00 C ATOM 610 O GLY A 39 -4.151 -0.822 14.769 1.00 0.00 O ATOM 0 H GLY A 39 -6.407 2.053 12.711 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.667 1.687 15.056 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.325 1.153 14.864 1.00 0.00 H new ATOM 614 N ILE A 40 -5.259 -0.704 12.867 1.00 0.00 N ATOM 615 CA ILE A 40 -4.834 -2.078 12.446 1.00 0.00 C ATOM 616 C ILE A 40 -3.688 -1.986 11.409 1.00 0.00 C ATOM 617 O ILE A 40 -2.661 -2.620 11.555 1.00 0.00 O ATOM 618 CB ILE A 40 -6.084 -2.813 11.877 1.00 0.00 C ATOM 619 CG1 ILE A 40 -6.059 -4.352 12.148 1.00 0.00 C ATOM 620 CG2 ILE A 40 -6.251 -2.554 10.373 1.00 0.00 C ATOM 621 CD1 ILE A 40 -4.633 -4.947 12.176 1.00 0.00 C ATOM 0 H ILE A 40 -5.862 -0.221 12.201 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.446 -2.644 13.293 1.00 0.00 H new ATOM 0 HB ILE A 40 -6.940 -2.398 12.409 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -6.548 -4.554 13.101 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.641 -4.859 11.378 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -7.132 -3.082 10.009 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.370 -1.485 10.199 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -5.369 -2.912 9.842 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -4.689 -6.018 12.369 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.149 -4.776 11.215 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -4.054 -4.467 12.965 1.00 0.00 H new ATOM 633 N VAL A 41 -3.863 -1.230 10.351 1.00 0.00 N ATOM 634 CA VAL A 41 -2.792 -1.152 9.303 1.00 0.00 C ATOM 635 C VAL A 41 -1.534 -0.446 9.825 1.00 0.00 C ATOM 636 O VAL A 41 -0.474 -1.029 9.885 1.00 0.00 O ATOM 637 CB VAL A 41 -3.311 -0.386 8.073 1.00 0.00 C ATOM 638 CG1 VAL A 41 -2.407 -0.682 6.870 1.00 0.00 C ATOM 639 CG2 VAL A 41 -4.746 -0.820 7.748 1.00 0.00 C ATOM 0 H VAL A 41 -4.694 -0.667 10.167 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.531 -2.175 9.032 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.301 0.682 8.289 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.773 -0.140 5.998 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.389 -0.364 7.093 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.416 -1.752 6.663 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.103 -0.272 6.876 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.764 -1.889 7.537 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.392 -0.608 8.600 1.00 0.00 H new ATOM 649 N GLU A 42 -1.626 0.809 10.164 1.00 0.00 N ATOM 650 CA GLU A 42 -0.410 1.542 10.631 1.00 0.00 C ATOM 651 C GLU A 42 0.225 0.853 11.845 1.00 0.00 C ATOM 652 O GLU A 42 1.393 0.541 11.839 1.00 0.00 O ATOM 653 CB GLU A 42 -0.779 2.981 10.995 1.00 0.00 C ATOM 654 CG GLU A 42 -1.246 3.719 9.738 1.00 0.00 C ATOM 655 CD GLU A 42 -0.042 4.009 8.840 1.00 0.00 C ATOM 656 OE1 GLU A 42 -0.186 3.891 7.634 1.00 0.00 O ATOM 657 OE2 GLU A 42 1.004 4.342 9.373 1.00 0.00 O ATOM 0 H GLU A 42 -2.484 1.359 10.139 1.00 0.00 H new ATOM 0 HA GLU A 42 0.316 1.541 9.818 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.567 2.987 11.748 1.00 0.00 H new ATOM 0 HB3 GLU A 42 0.081 3.490 11.430 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -1.978 3.116 9.200 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.741 4.650 10.013 1.00 0.00 H new ATOM 664 N GLN A 43 -0.515 0.627 12.892 1.00 0.00 N ATOM 665 CA GLN A 43 0.084 -0.021 14.099 1.00 0.00 C ATOM 666 C GLN A 43 0.941 -1.234 13.677 1.00 0.00 C ATOM 667 O GLN A 43 2.048 -1.410 14.145 1.00 0.00 O ATOM 668 CB GLN A 43 -1.061 -0.453 15.050 1.00 0.00 C ATOM 669 CG GLN A 43 -0.794 0.002 16.498 1.00 0.00 C ATOM 670 CD GLN A 43 0.306 -0.860 17.124 1.00 0.00 C ATOM 671 OE1 GLN A 43 0.161 -1.332 18.234 1.00 0.00 O ATOM 672 NE2 GLN A 43 1.405 -1.087 16.461 1.00 0.00 N ATOM 0 H GLN A 43 -1.505 0.860 12.969 1.00 0.00 H new ATOM 0 HA GLN A 43 0.735 0.682 14.619 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -2.003 -0.030 14.702 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -1.169 -1.537 15.022 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -0.496 1.051 16.509 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -1.708 -0.076 17.087 1.00 0.00 H new ATOM 0 HE21 GLN A 43 1.529 -0.692 15.529 1.00 0.00 H new ATOM 0 HE22 GLN A 43 2.141 -1.660 16.874 1.00 0.00 H new ATOM 681 N CYS A 44 0.440 -2.067 12.805 1.00 0.00 N ATOM 682 CA CYS A 44 1.225 -3.257 12.367 1.00 0.00 C ATOM 683 C CYS A 44 2.184 -2.868 11.227 1.00 0.00 C ATOM 684 O CYS A 44 3.372 -3.110 11.293 1.00 0.00 O ATOM 685 CB CYS A 44 0.236 -4.337 11.913 1.00 0.00 C ATOM 686 SG CYS A 44 -0.663 -4.953 13.358 1.00 0.00 S ATOM 0 H CYS A 44 -0.481 -1.974 12.376 1.00 0.00 H new ATOM 0 HA CYS A 44 1.831 -3.640 13.188 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -0.461 -3.927 11.182 1.00 0.00 H new ATOM 0 HB3 CYS A 44 0.767 -5.153 11.424 1.00 0.00 H new ATOM 691 N CYS A 45 1.680 -2.269 10.190 1.00 0.00 N ATOM 692 CA CYS A 45 2.556 -1.856 9.047 1.00 0.00 C ATOM 693 C CYS A 45 3.582 -0.817 9.511 1.00 0.00 C ATOM 694 O CYS A 45 4.745 -0.888 9.171 1.00 0.00 O ATOM 695 CB CYS A 45 1.680 -1.251 7.947 1.00 0.00 C ATOM 696 SG CYS A 45 2.710 -0.750 6.541 1.00 0.00 S ATOM 0 H CYS A 45 0.692 -2.043 10.077 1.00 0.00 H new ATOM 0 HA CYS A 45 3.089 -2.728 8.667 1.00 0.00 H new ATOM 0 HB2 CYS A 45 0.935 -1.978 7.622 1.00 0.00 H new ATOM 0 HB3 CYS A 45 1.137 -0.390 8.336 1.00 0.00 H new ATOM 701 N ARG A 46 3.169 0.153 10.272 1.00 0.00 N ATOM 702 CA ARG A 46 4.133 1.188 10.739 1.00 0.00 C ATOM 703 C ARG A 46 5.064 0.584 11.796 1.00 0.00 C ATOM 704 O ARG A 46 6.233 0.911 11.856 1.00 0.00 O ATOM 705 CB ARG A 46 3.358 2.373 11.346 1.00 0.00 C ATOM 706 CG ARG A 46 4.247 3.649 11.435 1.00 0.00 C ATOM 707 CD ARG A 46 4.635 3.937 12.893 1.00 0.00 C ATOM 708 NE ARG A 46 5.365 5.234 12.967 1.00 0.00 N ATOM 709 CZ ARG A 46 5.523 5.829 14.118 1.00 0.00 C ATOM 710 NH1 ARG A 46 6.164 6.964 14.183 1.00 0.00 N ATOM 711 NH2 ARG A 46 5.040 5.290 15.204 1.00 0.00 N ATOM 0 H ARG A 46 2.208 0.276 10.592 1.00 0.00 H new ATOM 0 HA ARG A 46 4.728 1.538 9.895 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.478 2.583 10.739 1.00 0.00 H new ATOM 0 HB3 ARG A 46 3.002 2.106 12.341 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.146 3.515 10.833 1.00 0.00 H new ATOM 0 HG3 ARG A 46 3.710 4.502 11.020 1.00 0.00 H new ATOM 0 HD2 ARG A 46 3.742 3.974 13.517 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.261 3.133 13.279 1.00 0.00 H new ATOM 0 HE ARG A 46 5.741 5.657 12.118 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.541 7.386 13.334 1.00 0.00 H new ATOM 0 HH12 ARG A 46 6.288 7.429 15.082 1.00 0.00 H new ATOM 0 HH21 ARG A 46 4.539 4.403 15.154 1.00 0.00 H new ATOM 0 HH22 ARG A 46 5.164 5.756 16.103 1.00 0.00 H new ATOM 725 N SER A 47 4.558 -0.293 12.635 1.00 0.00 N ATOM 726 CA SER A 47 5.422 -0.913 13.693 1.00 0.00 C ATOM 727 C SER A 47 5.117 -2.408 13.806 1.00 0.00 C ATOM 728 O SER A 47 4.026 -2.851 13.517 1.00 0.00 O ATOM 729 CB SER A 47 5.141 -0.236 15.035 1.00 0.00 C ATOM 730 OG SER A 47 5.495 1.138 14.951 1.00 0.00 O ATOM 0 H SER A 47 3.587 -0.605 12.632 1.00 0.00 H new ATOM 0 HA SER A 47 6.470 -0.781 13.424 1.00 0.00 H new ATOM 0 HB2 SER A 47 4.087 -0.337 15.292 1.00 0.00 H new ATOM 0 HB3 SER A 47 5.710 -0.722 15.827 1.00 0.00 H new ATOM 0 HG SER A 47 5.315 1.575 15.809 1.00 0.00 H new ATOM 736 N ILE A 48 6.071 -3.188 14.238 1.00 0.00 N ATOM 737 CA ILE A 48 5.827 -4.652 14.376 1.00 0.00 C ATOM 738 C ILE A 48 4.839 -4.883 15.522 1.00 0.00 C ATOM 739 O ILE A 48 5.205 -4.879 16.681 1.00 0.00 O ATOM 740 CB ILE A 48 7.149 -5.366 14.689 1.00 0.00 C ATOM 741 CG1 ILE A 48 8.251 -4.848 13.759 1.00 0.00 C ATOM 742 CG2 ILE A 48 6.985 -6.874 14.480 1.00 0.00 C ATOM 743 CD1 ILE A 48 9.577 -5.527 14.108 1.00 0.00 C ATOM 0 H ILE A 48 7.006 -2.876 14.501 1.00 0.00 H new ATOM 0 HA ILE A 48 5.417 -5.047 13.447 1.00 0.00 H new ATOM 0 HB ILE A 48 7.422 -5.167 15.725 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.989 -5.050 12.720 1.00 0.00 H new ATOM 0 HG13 ILE A 48 8.347 -3.767 13.859 1.00 0.00 H new ATOM 0 HG21 ILE A 48 7.926 -7.377 14.703 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.206 -7.251 15.143 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.706 -7.070 13.445 1.00 0.00 H new ATOM 0 HD11 ILE A 48 10.360 -5.158 13.446 1.00 0.00 H new ATOM 0 HD12 ILE A 48 9.840 -5.302 15.142 1.00 0.00 H new ATOM 0 HD13 ILE A 48 9.477 -6.605 13.985 1.00 0.00 H new ATOM 755 N CYS A 49 3.585 -5.080 15.208 1.00 0.00 N ATOM 756 CA CYS A 49 2.572 -5.306 16.280 1.00 0.00 C ATOM 757 C CYS A 49 2.587 -6.782 16.688 1.00 0.00 C ATOM 758 O CYS A 49 2.868 -7.654 15.891 1.00 0.00 O ATOM 759 CB CYS A 49 1.183 -4.922 15.761 1.00 0.00 C ATOM 760 SG CYS A 49 0.723 -6.007 14.386 1.00 0.00 S ATOM 0 H CYS A 49 3.219 -5.094 14.256 1.00 0.00 H new ATOM 0 HA CYS A 49 2.811 -4.690 17.147 1.00 0.00 H new ATOM 0 HB2 CYS A 49 0.449 -5.004 16.563 1.00 0.00 H new ATOM 0 HB3 CYS A 49 1.181 -3.883 15.433 1.00 0.00 H new ATOM 765 N SER A 50 2.298 -7.066 17.929 1.00 0.00 N ATOM 766 CA SER A 50 2.308 -8.484 18.393 1.00 0.00 C ATOM 767 C SER A 50 1.023 -9.189 17.954 1.00 0.00 C ATOM 768 O SER A 50 0.042 -8.561 17.607 1.00 0.00 O ATOM 769 CB SER A 50 2.410 -8.516 19.918 1.00 0.00 C ATOM 770 OG SER A 50 3.421 -7.610 20.338 1.00 0.00 O ATOM 0 H SER A 50 2.055 -6.378 18.642 1.00 0.00 H new ATOM 0 HA SER A 50 3.163 -8.998 17.955 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.453 -8.244 20.364 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.645 -9.525 20.258 1.00 0.00 H new ATOM 0 HG SER A 50 3.489 -7.626 21.316 1.00 0.00 H new ATOM 776 N LEU A 51 1.024 -10.495 17.970 1.00 0.00 N ATOM 777 CA LEU A 51 -0.192 -11.252 17.559 1.00 0.00 C ATOM 778 C LEU A 51 -1.377 -10.825 18.424 1.00 0.00 C ATOM 779 O LEU A 51 -2.503 -10.800 17.977 1.00 0.00 O ATOM 780 CB LEU A 51 0.050 -12.751 17.746 1.00 0.00 C ATOM 781 CG LEU A 51 1.381 -13.149 17.105 1.00 0.00 C ATOM 782 CD1 LEU A 51 1.613 -14.647 17.314 1.00 0.00 C ATOM 783 CD2 LEU A 51 1.345 -12.838 15.604 1.00 0.00 C ATOM 0 H LEU A 51 1.817 -11.071 18.251 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.408 -11.043 16.511 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.060 -12.997 18.808 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.764 -13.318 17.295 1.00 0.00 H new ATOM 0 HG LEU A 51 2.191 -12.585 17.567 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.560 -14.935 16.859 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.642 -14.865 18.382 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.802 -15.209 16.851 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.294 -13.123 15.151 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.536 -13.399 15.135 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.178 -11.771 15.457 1.00 0.00 H new ATOM 795 N TYR A 52 -1.134 -10.492 19.662 1.00 0.00 N ATOM 796 CA TYR A 52 -2.255 -10.070 20.552 1.00 0.00 C ATOM 797 C TYR A 52 -3.101 -9.016 19.830 1.00 0.00 C ATOM 798 O TYR A 52 -4.315 -9.076 19.825 1.00 0.00 O ATOM 799 CB TYR A 52 -1.680 -9.483 21.854 1.00 0.00 C ATOM 800 CG TYR A 52 -2.664 -9.670 22.987 1.00 0.00 C ATOM 801 CD1 TYR A 52 -3.739 -8.789 23.124 1.00 0.00 C ATOM 802 CD2 TYR A 52 -2.502 -10.725 23.893 1.00 0.00 C ATOM 803 CE1 TYR A 52 -4.656 -8.959 24.169 1.00 0.00 C ATOM 804 CE2 TYR A 52 -3.417 -10.896 24.939 1.00 0.00 C ATOM 805 CZ TYR A 52 -4.495 -10.013 25.077 1.00 0.00 C ATOM 806 OH TYR A 52 -5.398 -10.181 26.106 1.00 0.00 O ATOM 0 H TYR A 52 -0.211 -10.493 20.096 1.00 0.00 H new ATOM 0 HA TYR A 52 -2.881 -10.929 20.794 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -0.737 -9.972 22.097 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.465 -8.423 21.720 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -3.863 -7.976 22.424 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -1.671 -11.407 23.785 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -5.487 -8.277 24.275 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -3.291 -11.709 25.639 1.00 0.00 H new ATOM 0 HH TYR A 52 -5.141 -10.959 26.643 1.00 0.00 H new ATOM 816 N GLN A 53 -2.466 -8.056 19.216 1.00 0.00 N ATOM 817 CA GLN A 53 -3.230 -7.003 18.490 1.00 0.00 C ATOM 818 C GLN A 53 -3.884 -7.619 17.254 1.00 0.00 C ATOM 819 O GLN A 53 -5.075 -7.500 17.051 1.00 0.00 O ATOM 820 CB GLN A 53 -2.280 -5.884 18.061 1.00 0.00 C ATOM 821 CG GLN A 53 -1.550 -5.335 19.288 1.00 0.00 C ATOM 822 CD GLN A 53 -0.619 -4.202 18.856 1.00 0.00 C ATOM 823 OE1 GLN A 53 0.394 -3.960 19.481 1.00 0.00 O ATOM 824 NE2 GLN A 53 -0.923 -3.491 17.806 1.00 0.00 N ATOM 0 H GLN A 53 -1.451 -7.955 19.186 1.00 0.00 H new ATOM 0 HA GLN A 53 -3.998 -6.592 19.145 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -1.560 -6.262 17.335 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -2.838 -5.087 17.570 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -2.270 -4.970 20.021 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -0.978 -6.128 19.770 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -1.774 -3.694 17.281 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -0.310 -2.732 17.509 1.00 0.00 H new ATOM 833 N LEU A 54 -3.123 -8.286 16.427 1.00 0.00 N ATOM 834 CA LEU A 54 -3.728 -8.908 15.219 1.00 0.00 C ATOM 835 C LEU A 54 -4.857 -9.828 15.659 1.00 0.00 C ATOM 836 O LEU A 54 -5.851 -9.995 14.981 1.00 0.00 O ATOM 837 CB LEU A 54 -2.681 -9.709 14.464 1.00 0.00 C ATOM 838 CG LEU A 54 -1.575 -8.770 13.985 1.00 0.00 C ATOM 839 CD1 LEU A 54 -0.485 -9.592 13.283 1.00 0.00 C ATOM 840 CD2 LEU A 54 -2.151 -7.723 13.010 1.00 0.00 C ATOM 0 H LEU A 54 -2.118 -8.425 16.536 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.114 -8.130 14.560 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.263 -10.482 15.109 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.137 -10.215 13.614 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.147 -8.250 14.842 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.307 -8.927 12.939 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.071 -10.319 13.982 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.916 -10.115 12.429 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.353 -7.060 12.676 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.587 -8.229 12.149 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.920 -7.139 13.516 1.00 0.00 H new ATOM 852 N GLU A 55 -4.701 -10.415 16.804 1.00 0.00 N ATOM 853 CA GLU A 55 -5.749 -11.327 17.335 1.00 0.00 C ATOM 854 C GLU A 55 -6.915 -10.496 17.871 1.00 0.00 C ATOM 855 O GLU A 55 -7.952 -11.014 18.233 1.00 0.00 O ATOM 856 CB GLU A 55 -5.161 -12.175 18.466 1.00 0.00 C ATOM 857 CG GLU A 55 -6.027 -13.418 18.689 1.00 0.00 C ATOM 858 CD GLU A 55 -5.620 -14.097 19.998 1.00 0.00 C ATOM 859 OE1 GLU A 55 -5.146 -15.219 19.938 1.00 0.00 O ATOM 860 OE2 GLU A 55 -5.788 -13.483 21.039 1.00 0.00 O ATOM 0 H GLU A 55 -3.884 -10.303 17.404 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.103 -11.982 16.539 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.142 -12.471 18.218 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -5.109 -11.588 19.383 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -7.080 -13.139 18.724 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -5.909 -14.111 17.856 1.00 0.00 H new ATOM 867 N ASN A 56 -6.736 -9.209 17.949 1.00 0.00 N ATOM 868 CA ASN A 56 -7.813 -8.334 18.492 1.00 0.00 C ATOM 869 C ASN A 56 -8.884 -8.064 17.429 1.00 0.00 C ATOM 870 O ASN A 56 -10.000 -7.701 17.744 1.00 0.00 O ATOM 871 CB ASN A 56 -7.187 -7.008 18.931 1.00 0.00 C ATOM 872 CG ASN A 56 -8.129 -6.275 19.885 1.00 0.00 C ATOM 873 OD1 ASN A 56 -9.318 -6.528 19.902 1.00 0.00 O ATOM 874 ND2 ASN A 56 -7.642 -5.369 20.687 1.00 0.00 N ATOM 0 H ASN A 56 -5.888 -8.722 17.659 1.00 0.00 H new ATOM 0 HA ASN A 56 -8.288 -8.833 19.337 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -6.231 -7.192 19.421 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -6.983 -6.386 18.059 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -8.259 -4.872 21.329 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -6.644 -5.158 20.672 1.00 0.00 H new ATOM 881 N TYR A 57 -8.550 -8.211 16.176 1.00 0.00 N ATOM 882 CA TYR A 57 -9.538 -7.935 15.088 1.00 0.00 C ATOM 883 C TYR A 57 -10.160 -9.242 14.584 1.00 0.00 C ATOM 884 O TYR A 57 -11.078 -9.234 13.789 1.00 0.00 O ATOM 885 CB TYR A 57 -8.799 -7.233 13.950 1.00 0.00 C ATOM 886 CG TYR A 57 -7.827 -6.238 14.545 1.00 0.00 C ATOM 887 CD1 TYR A 57 -8.257 -4.972 14.968 1.00 0.00 C ATOM 888 CD2 TYR A 57 -6.488 -6.592 14.673 1.00 0.00 C ATOM 889 CE1 TYR A 57 -7.341 -4.069 15.517 1.00 0.00 C ATOM 890 CE2 TYR A 57 -5.567 -5.690 15.223 1.00 0.00 C ATOM 891 CZ TYR A 57 -5.995 -4.428 15.645 1.00 0.00 C ATOM 892 OH TYR A 57 -5.091 -3.537 16.188 1.00 0.00 O ATOM 0 H TYR A 57 -7.630 -8.512 15.855 1.00 0.00 H new ATOM 0 HA TYR A 57 -10.343 -7.305 15.465 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -8.267 -7.962 13.338 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -9.507 -6.725 13.296 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -9.296 -4.694 14.870 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -6.156 -7.567 14.347 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -7.673 -3.094 15.842 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -4.528 -5.970 15.321 1.00 0.00 H new ATOM 0 HH TYR A 57 -4.986 -2.770 15.587 1.00 0.00 H new ATOM 902 N CYS A 58 -9.672 -10.361 15.038 1.00 0.00 N ATOM 903 CA CYS A 58 -10.238 -11.658 14.582 1.00 0.00 C ATOM 904 C CYS A 58 -11.714 -11.735 14.962 1.00 0.00 C ATOM 905 O CYS A 58 -12.067 -12.011 16.091 1.00 0.00 O ATOM 906 CB CYS A 58 -9.465 -12.803 15.230 1.00 0.00 C ATOM 907 SG CYS A 58 -7.744 -12.732 14.680 1.00 0.00 S ATOM 0 H CYS A 58 -8.905 -10.433 15.706 1.00 0.00 H new ATOM 0 HA CYS A 58 -10.150 -11.737 13.498 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -9.517 -12.726 16.316 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -9.909 -13.760 14.956 1.00 0.00 H new ATOM 912 N GLY A 59 -12.578 -11.491 14.017 1.00 0.00 N ATOM 913 CA GLY A 59 -14.039 -11.545 14.307 1.00 0.00 C ATOM 914 C GLY A 59 -14.807 -10.806 13.210 1.00 0.00 C ATOM 915 O GLY A 59 -15.985 -10.555 13.404 1.00 0.00 O ATOM 916 OXT GLY A 59 -14.204 -10.504 12.193 1.00 0.00 O ATOM 0 H GLY A 59 -12.336 -11.256 13.054 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -14.371 -12.582 14.362 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -14.245 -11.092 15.277 1.00 0.00 H new TER 920 GLY A 59