USER MOD reduce.3.24.130724 H: found=0, std=0, add=448, rem=0, adj=13 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= -4.35! C(o=-8.9!,f=-6.1!) USER MOD Set 1.2: A 53 GLN : amide:sc= -4.5! C(o=-8.9!,f=-12!) USER MOD Set 2.1: A 27 THR OG1 : rot 180:sc= -0.502 USER MOD Set 2.2: A 34 SER OG : rot 114:sc= 0.54 USER MOD Set 2.3: A 37 SER OG : rot 118:sc= 0.861 USER MOD Set 3.1: A 1 PHE N :NH3+ 162:sc= -0.521 (180deg=-0.22) USER MOD Set 3.2: A 4 GLN : amide:sc= -2.52 K(o=-4.5,f=-2.6) USER MOD Set 3.3: A 10 HIS : no HE2:sc= -1.47 K(o=-4.5,f=-11!) USER MOD Single : A 3 ASN : amide:sc= -0.154 K(o=-0.15,f=-2.8!) USER MOD Single : A 5 HIS : no HD1:sc= -3.7! C(o=-3.7!,f=-0.44!) USER MOD Single : A 9 SER OG : rot 180:sc= 0.0294 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 30:sc= -0.0701 USER MOD Single : A 30 THR OG1 : rot 115:sc= 0.472 USER MOD Single : A 47 SER OG : rot 180:sc= 0.0102 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= -0.784 X(o=-0.78,f=-0.66!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 5.960 -14.417 8.495 1.00 0.00 N ATOM 2 CA PHE A 1 5.423 -13.740 9.710 1.00 0.00 C ATOM 3 C PHE A 1 6.602 -13.363 10.622 1.00 0.00 C ATOM 4 O PHE A 1 6.423 -12.923 11.740 1.00 0.00 O ATOM 5 CB PHE A 1 4.469 -14.715 10.446 1.00 0.00 C ATOM 6 CG PHE A 1 3.228 -14.006 10.971 1.00 0.00 C ATOM 7 CD1 PHE A 1 2.009 -14.696 10.993 1.00 0.00 C ATOM 8 CD2 PHE A 1 3.288 -12.681 11.443 1.00 0.00 C ATOM 9 CE1 PHE A 1 0.855 -14.074 11.479 1.00 0.00 C ATOM 10 CE2 PHE A 1 2.128 -12.057 11.925 1.00 0.00 C ATOM 11 CZ PHE A 1 0.912 -12.756 11.942 1.00 0.00 C ATOM 0 H1 PHE A 1 5.196 -14.942 8.023 1.00 0.00 H new ATOM 0 H2 PHE A 1 6.345 -13.705 7.842 1.00 0.00 H new ATOM 0 H3 PHE A 1 6.714 -15.078 8.771 1.00 0.00 H new ATOM 0 HA PHE A 1 4.873 -12.839 9.438 1.00 0.00 H new ATOM 0 HB2 PHE A 1 4.171 -15.514 9.767 1.00 0.00 H new ATOM 0 HB3 PHE A 1 4.998 -15.183 11.276 1.00 0.00 H new ATOM 0 HD1 PHE A 1 1.960 -15.713 10.633 1.00 0.00 H new ATOM 0 HD2 PHE A 1 4.226 -12.146 11.434 1.00 0.00 H new ATOM 0 HE1 PHE A 1 -0.081 -14.612 11.497 1.00 0.00 H new ATOM 0 HE2 PHE A 1 2.171 -11.039 12.283 1.00 0.00 H new ATOM 0 HZ PHE A 1 0.019 -12.276 12.313 1.00 0.00 H new ATOM 23 N VAL A 2 7.805 -13.556 10.150 1.00 0.00 N ATOM 24 CA VAL A 2 9.003 -13.236 10.979 1.00 0.00 C ATOM 25 C VAL A 2 8.931 -11.796 11.486 1.00 0.00 C ATOM 26 O VAL A 2 7.922 -11.129 11.373 1.00 0.00 O ATOM 27 CB VAL A 2 10.269 -13.411 10.133 1.00 0.00 C ATOM 28 CG1 VAL A 2 10.592 -14.898 9.995 1.00 0.00 C ATOM 29 CG2 VAL A 2 10.038 -12.809 8.745 1.00 0.00 C ATOM 0 H VAL A 2 8.010 -13.924 9.221 1.00 0.00 H new ATOM 0 HA VAL A 2 9.030 -13.912 11.834 1.00 0.00 H new ATOM 0 HB VAL A 2 11.103 -12.904 10.618 1.00 0.00 H new ATOM 0 HG11 VAL A 2 11.492 -15.020 9.393 1.00 0.00 H new ATOM 0 HG12 VAL A 2 10.755 -15.328 10.983 1.00 0.00 H new ATOM 0 HG13 VAL A 2 9.759 -15.408 9.510 1.00 0.00 H new ATOM 0 HG21 VAL A 2 10.937 -12.932 8.141 1.00 0.00 H new ATOM 0 HG22 VAL A 2 9.204 -13.318 8.262 1.00 0.00 H new ATOM 0 HG23 VAL A 2 9.809 -11.748 8.842 1.00 0.00 H new ATOM 39 N ASN A 3 10.007 -11.319 12.047 1.00 0.00 N ATOM 40 CA ASN A 3 10.027 -9.926 12.571 1.00 0.00 C ATOM 41 C ASN A 3 10.021 -8.943 11.401 1.00 0.00 C ATOM 42 O ASN A 3 11.058 -8.533 10.917 1.00 0.00 O ATOM 43 CB ASN A 3 11.290 -9.714 13.407 1.00 0.00 C ATOM 44 CG ASN A 3 11.241 -10.613 14.643 1.00 0.00 C ATOM 45 OD1 ASN A 3 10.342 -11.418 14.787 1.00 0.00 O ATOM 46 ND2 ASN A 3 12.176 -10.511 15.547 1.00 0.00 N ATOM 0 H ASN A 3 10.877 -11.837 12.165 1.00 0.00 H new ATOM 0 HA ASN A 3 9.147 -9.758 13.192 1.00 0.00 H new ATOM 0 HB2 ASN A 3 12.175 -9.943 12.813 1.00 0.00 H new ATOM 0 HB3 ASN A 3 11.369 -8.669 13.707 1.00 0.00 H new ATOM 0 HD21 ASN A 3 12.152 -11.107 16.375 1.00 0.00 H new ATOM 0 HD22 ASN A 3 12.931 -9.835 15.426 1.00 0.00 H new ATOM 53 N GLN A 4 8.861 -8.557 10.945 1.00 0.00 N ATOM 54 CA GLN A 4 8.783 -7.595 9.807 1.00 0.00 C ATOM 55 C GLN A 4 7.519 -6.747 9.953 1.00 0.00 C ATOM 56 O GLN A 4 6.636 -7.060 10.727 1.00 0.00 O ATOM 57 CB GLN A 4 8.742 -8.364 8.483 1.00 0.00 C ATOM 58 CG GLN A 4 7.550 -9.326 8.478 1.00 0.00 C ATOM 59 CD GLN A 4 7.731 -10.360 7.364 1.00 0.00 C ATOM 60 OE1 GLN A 4 8.048 -10.013 6.243 1.00 0.00 O ATOM 61 NE2 GLN A 4 7.542 -11.623 7.627 1.00 0.00 N ATOM 0 H GLN A 4 7.961 -8.867 11.312 1.00 0.00 H new ATOM 0 HA GLN A 4 9.660 -6.947 9.814 1.00 0.00 H new ATOM 0 HB2 GLN A 4 8.662 -7.667 7.649 1.00 0.00 H new ATOM 0 HB3 GLN A 4 9.670 -8.919 8.346 1.00 0.00 H new ATOM 0 HG2 GLN A 4 7.469 -9.826 9.443 1.00 0.00 H new ATOM 0 HG3 GLN A 4 6.623 -8.772 8.327 1.00 0.00 H new ATOM 0 HE21 GLN A 4 7.276 -11.914 8.568 1.00 0.00 H new ATOM 0 HE22 GLN A 4 7.660 -12.320 6.892 1.00 0.00 H new ATOM 70 N HIS A 5 7.429 -5.670 9.222 1.00 0.00 N ATOM 71 CA HIS A 5 6.225 -4.791 9.324 1.00 0.00 C ATOM 72 C HIS A 5 5.122 -5.336 8.406 1.00 0.00 C ATOM 73 O HIS A 5 5.320 -5.530 7.224 1.00 0.00 O ATOM 74 CB HIS A 5 6.593 -3.332 8.927 1.00 0.00 C ATOM 75 CG HIS A 5 8.011 -3.261 8.429 1.00 0.00 C ATOM 76 ND1 HIS A 5 8.337 -2.665 7.220 1.00 0.00 N ATOM 77 CD2 HIS A 5 9.199 -3.684 8.973 1.00 0.00 C ATOM 78 CE1 HIS A 5 9.670 -2.742 7.078 1.00 0.00 C ATOM 79 NE2 HIS A 5 10.239 -3.353 8.117 1.00 0.00 N ATOM 0 H HIS A 5 8.137 -5.359 8.557 1.00 0.00 H new ATOM 0 HA HIS A 5 5.864 -4.785 10.352 1.00 0.00 H new ATOM 0 HB2 HIS A 5 5.912 -2.977 8.154 1.00 0.00 H new ATOM 0 HB3 HIS A 5 6.470 -2.673 9.787 1.00 0.00 H new ATOM 0 HD2 HIS A 5 9.307 -4.194 9.919 1.00 0.00 H new ATOM 0 HE1 HIS A 5 10.213 -2.357 6.228 1.00 0.00 H new ATOM 0 HE2 HIS A 5 11.233 -3.539 8.254 1.00 0.00 H new ATOM 87 N LEU A 6 3.959 -5.576 8.950 1.00 0.00 N ATOM 88 CA LEU A 6 2.834 -6.100 8.122 1.00 0.00 C ATOM 89 C LEU A 6 2.131 -4.921 7.435 1.00 0.00 C ATOM 90 O LEU A 6 1.553 -4.082 8.093 1.00 0.00 O ATOM 91 CB LEU A 6 1.825 -6.804 9.047 1.00 0.00 C ATOM 92 CG LEU A 6 2.065 -8.325 9.106 1.00 0.00 C ATOM 93 CD1 LEU A 6 3.551 -8.630 9.353 1.00 0.00 C ATOM 94 CD2 LEU A 6 1.232 -8.917 10.247 1.00 0.00 C ATOM 0 H LEU A 6 3.739 -5.431 9.935 1.00 0.00 H new ATOM 0 HA LEU A 6 3.213 -6.798 7.375 1.00 0.00 H new ATOM 0 HB2 LEU A 6 1.899 -6.385 10.051 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.812 -6.610 8.694 1.00 0.00 H new ATOM 0 HG LEU A 6 1.772 -8.767 8.154 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.699 -9.709 9.391 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.148 -8.210 8.544 1.00 0.00 H new ATOM 0 HD13 LEU A 6 3.861 -8.187 10.300 1.00 0.00 H new ATOM 0 HD21 LEU A 6 1.396 -9.994 10.296 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.531 -8.461 11.191 1.00 0.00 H new ATOM 0 HD23 LEU A 6 0.175 -8.718 10.067 1.00 0.00 H new ATOM 106 N CYS A 7 2.157 -4.860 6.126 1.00 0.00 N ATOM 107 CA CYS A 7 1.478 -3.735 5.408 1.00 0.00 C ATOM 108 C CYS A 7 0.547 -4.272 4.322 1.00 0.00 C ATOM 109 O CYS A 7 0.945 -5.013 3.445 1.00 0.00 O ATOM 110 CB CYS A 7 2.545 -2.838 4.787 1.00 0.00 C ATOM 111 SG CYS A 7 3.649 -2.255 6.098 1.00 0.00 S ATOM 0 H CYS A 7 2.619 -5.541 5.523 1.00 0.00 H new ATOM 0 HA CYS A 7 0.876 -3.164 6.115 1.00 0.00 H new ATOM 0 HB2 CYS A 7 3.110 -3.388 4.034 1.00 0.00 H new ATOM 0 HB3 CYS A 7 2.080 -1.992 4.281 1.00 0.00 H new ATOM 116 N GLY A 8 -0.696 -3.876 4.379 1.00 0.00 N ATOM 117 CA GLY A 8 -1.692 -4.318 3.364 1.00 0.00 C ATOM 118 C GLY A 8 -1.840 -5.839 3.366 1.00 0.00 C ATOM 119 O GLY A 8 -1.938 -6.465 4.402 1.00 0.00 O ATOM 0 H GLY A 8 -1.068 -3.255 5.098 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -2.657 -3.855 3.571 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -1.382 -3.981 2.375 1.00 0.00 H new ATOM 123 N SER A 9 -1.881 -6.428 2.200 1.00 0.00 N ATOM 124 CA SER A 9 -2.048 -7.907 2.096 1.00 0.00 C ATOM 125 C SER A 9 -1.186 -8.621 3.138 1.00 0.00 C ATOM 126 O SER A 9 -1.563 -9.650 3.661 1.00 0.00 O ATOM 127 CB SER A 9 -1.633 -8.365 0.697 1.00 0.00 C ATOM 128 OG SER A 9 -2.231 -7.513 -0.272 1.00 0.00 O ATOM 0 H SER A 9 -1.805 -5.942 1.306 1.00 0.00 H new ATOM 0 HA SER A 9 -3.094 -8.155 2.277 1.00 0.00 H new ATOM 0 HB2 SER A 9 -0.548 -8.340 0.600 1.00 0.00 H new ATOM 0 HB3 SER A 9 -1.944 -9.397 0.532 1.00 0.00 H new ATOM 0 HG SER A 9 -1.966 -7.802 -1.170 1.00 0.00 H new ATOM 134 N HIS A 10 -0.038 -8.093 3.454 1.00 0.00 N ATOM 135 CA HIS A 10 0.818 -8.766 4.464 1.00 0.00 C ATOM 136 C HIS A 10 0.068 -8.812 5.794 1.00 0.00 C ATOM 137 O HIS A 10 0.178 -9.758 6.544 1.00 0.00 O ATOM 138 CB HIS A 10 2.126 -7.995 4.632 1.00 0.00 C ATOM 139 CG HIS A 10 3.140 -8.860 5.331 1.00 0.00 C ATOM 140 ND1 HIS A 10 2.883 -10.186 5.655 1.00 0.00 N ATOM 141 CD2 HIS A 10 4.415 -8.605 5.773 1.00 0.00 C ATOM 142 CE1 HIS A 10 3.980 -10.675 6.264 1.00 0.00 C ATOM 143 NE2 HIS A 10 4.937 -9.752 6.359 1.00 0.00 N ATOM 0 H HIS A 10 0.341 -7.232 3.060 1.00 0.00 H new ATOM 0 HA HIS A 10 1.049 -9.779 4.136 1.00 0.00 H new ATOM 0 HB2 HIS A 10 2.506 -7.688 3.658 1.00 0.00 H new ATOM 0 HB3 HIS A 10 1.952 -7.086 5.207 1.00 0.00 H new ATOM 0 HD1 HIS A 10 2.020 -10.696 5.466 1.00 0.00 H new ATOM 0 HD2 HIS A 10 4.931 -7.661 5.680 1.00 0.00 H new ATOM 0 HE1 HIS A 10 4.073 -11.687 6.629 1.00 0.00 H new ATOM 151 N LEU A 11 -0.701 -7.798 6.084 1.00 0.00 N ATOM 152 CA LEU A 11 -1.466 -7.789 7.361 1.00 0.00 C ATOM 153 C LEU A 11 -2.581 -8.816 7.257 1.00 0.00 C ATOM 154 O LEU A 11 -2.749 -9.662 8.112 1.00 0.00 O ATOM 155 CB LEU A 11 -2.043 -6.383 7.597 1.00 0.00 C ATOM 156 CG LEU A 11 -2.826 -6.292 8.919 1.00 0.00 C ATOM 157 CD1 LEU A 11 -2.072 -6.977 10.078 1.00 0.00 C ATOM 158 CD2 LEU A 11 -3.070 -4.809 9.278 1.00 0.00 C ATOM 0 H LEU A 11 -0.832 -6.977 5.492 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.819 -8.041 8.201 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.231 -5.656 7.606 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.700 -6.117 6.768 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.775 -6.809 8.778 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.657 -6.891 10.994 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.921 -8.030 9.841 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.105 -6.494 10.219 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.625 -4.748 10.214 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.113 -4.299 9.389 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.645 -4.332 8.484 1.00 0.00 H new ATOM 170 N VAL A 12 -3.325 -8.765 6.198 1.00 0.00 N ATOM 171 CA VAL A 12 -4.411 -9.754 6.009 1.00 0.00 C ATOM 172 C VAL A 12 -3.795 -11.145 6.016 1.00 0.00 C ATOM 173 O VAL A 12 -4.122 -11.984 6.832 1.00 0.00 O ATOM 174 CB VAL A 12 -5.084 -9.489 4.655 1.00 0.00 C ATOM 175 CG1 VAL A 12 -5.915 -10.716 4.184 1.00 0.00 C ATOM 176 CG2 VAL A 12 -5.975 -8.256 4.798 1.00 0.00 C ATOM 0 H VAL A 12 -3.228 -8.078 5.451 1.00 0.00 H new ATOM 0 HA VAL A 12 -5.153 -9.676 6.804 1.00 0.00 H new ATOM 0 HB VAL A 12 -4.320 -9.315 3.898 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -6.378 -10.494 3.222 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -5.260 -11.581 4.081 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.690 -10.934 4.918 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.464 -8.048 3.846 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.730 -8.440 5.562 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.367 -7.399 5.088 1.00 0.00 H new ATOM 186 N GLU A 13 -2.905 -11.387 5.103 1.00 0.00 N ATOM 187 CA GLU A 13 -2.250 -12.718 5.029 1.00 0.00 C ATOM 188 C GLU A 13 -1.827 -13.167 6.424 1.00 0.00 C ATOM 189 O GLU A 13 -1.788 -14.339 6.707 1.00 0.00 O ATOM 190 CB GLU A 13 -1.018 -12.630 4.126 1.00 0.00 C ATOM 191 CG GLU A 13 -1.462 -12.372 2.684 1.00 0.00 C ATOM 192 CD GLU A 13 -0.286 -11.826 1.870 1.00 0.00 C ATOM 193 OE1 GLU A 13 0.829 -11.889 2.361 1.00 0.00 O ATOM 194 OE2 GLU A 13 -0.522 -11.353 0.770 1.00 0.00 O ATOM 0 H GLU A 13 -2.600 -10.716 4.398 1.00 0.00 H new ATOM 0 HA GLU A 13 -2.954 -13.442 4.618 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -0.362 -11.829 4.465 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.446 -13.556 4.182 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.829 -13.295 2.236 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -2.288 -11.661 2.670 1.00 0.00 H new ATOM 201 N ALA A 14 -1.509 -12.248 7.300 1.00 0.00 N ATOM 202 CA ALA A 14 -1.088 -12.648 8.675 1.00 0.00 C ATOM 203 C ALA A 14 -2.330 -12.847 9.560 1.00 0.00 C ATOM 204 O ALA A 14 -2.566 -13.924 10.072 1.00 0.00 O ATOM 205 CB ALA A 14 -0.179 -11.544 9.250 1.00 0.00 C ATOM 0 H ALA A 14 -1.523 -11.244 7.123 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.538 -13.589 8.645 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.138 -11.821 10.256 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.697 -11.426 8.613 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.729 -10.604 9.289 1.00 0.00 H new ATOM 211 N LEU A 15 -3.120 -11.823 9.751 1.00 0.00 N ATOM 212 CA LEU A 15 -4.334 -11.971 10.611 1.00 0.00 C ATOM 213 C LEU A 15 -5.092 -13.238 10.216 1.00 0.00 C ATOM 214 O LEU A 15 -5.659 -13.922 11.045 1.00 0.00 O ATOM 215 CB LEU A 15 -5.263 -10.765 10.418 1.00 0.00 C ATOM 216 CG LEU A 15 -4.721 -9.536 11.179 1.00 0.00 C ATOM 217 CD1 LEU A 15 -5.230 -8.238 10.532 1.00 0.00 C ATOM 218 CD2 LEU A 15 -5.202 -9.576 12.638 1.00 0.00 C ATOM 0 H LEU A 15 -2.979 -10.895 9.352 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.020 -12.032 11.653 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.351 -10.533 9.357 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.264 -11.009 10.775 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.632 -9.560 11.140 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.839 -7.381 11.080 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.893 -8.191 9.496 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.319 -8.220 10.560 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.817 -8.707 13.172 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -6.292 -9.564 12.662 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.839 -10.486 13.116 1.00 0.00 H new ATOM 230 N TYR A 16 -5.113 -13.547 8.952 1.00 0.00 N ATOM 231 CA TYR A 16 -5.840 -14.756 8.493 1.00 0.00 C ATOM 232 C TYR A 16 -5.372 -15.963 9.324 1.00 0.00 C ATOM 233 O TYR A 16 -6.160 -16.796 9.723 1.00 0.00 O ATOM 234 CB TYR A 16 -5.549 -14.944 6.990 1.00 0.00 C ATOM 235 CG TYR A 16 -5.605 -16.409 6.598 1.00 0.00 C ATOM 236 CD1 TYR A 16 -4.537 -16.988 5.899 1.00 0.00 C ATOM 237 CD2 TYR A 16 -6.718 -17.186 6.941 1.00 0.00 C ATOM 238 CE1 TYR A 16 -4.582 -18.339 5.544 1.00 0.00 C ATOM 239 CE2 TYR A 16 -6.764 -18.539 6.584 1.00 0.00 C ATOM 240 CZ TYR A 16 -5.696 -19.116 5.886 1.00 0.00 C ATOM 241 OH TYR A 16 -5.740 -20.450 5.536 1.00 0.00 O ATOM 0 H TYR A 16 -4.655 -13.011 8.215 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.917 -14.656 8.630 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -6.274 -14.380 6.403 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -4.565 -14.539 6.754 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -3.678 -16.389 5.634 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -7.541 -16.742 7.481 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -3.758 -18.784 5.006 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -7.623 -19.138 6.847 1.00 0.00 H new ATOM 0 HH TYR A 16 -6.581 -20.843 5.850 1.00 0.00 H new ATOM 251 N LEU A 17 -4.098 -16.056 9.591 1.00 0.00 N ATOM 252 CA LEU A 17 -3.584 -17.198 10.399 1.00 0.00 C ATOM 253 C LEU A 17 -3.886 -16.936 11.872 1.00 0.00 C ATOM 254 O LEU A 17 -4.451 -17.760 12.563 1.00 0.00 O ATOM 255 CB LEU A 17 -2.065 -17.319 10.226 1.00 0.00 C ATOM 256 CG LEU A 17 -1.715 -17.840 8.817 1.00 0.00 C ATOM 257 CD1 LEU A 17 -1.696 -16.680 7.823 1.00 0.00 C ATOM 258 CD2 LEU A 17 -0.326 -18.483 8.840 1.00 0.00 C ATOM 0 H LEU A 17 -3.390 -15.389 9.284 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.064 -18.119 10.067 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.598 -16.347 10.386 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.661 -17.995 10.980 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.464 -18.572 8.516 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.448 -17.056 6.830 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.678 -16.207 7.797 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.949 -15.949 8.131 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.079 -18.851 7.844 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.413 -17.743 9.147 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.321 -19.314 9.545 1.00 0.00 H new ATOM 270 N VAL A 18 -3.510 -15.786 12.349 1.00 0.00 N ATOM 271 CA VAL A 18 -3.765 -15.443 13.776 1.00 0.00 C ATOM 272 C VAL A 18 -5.236 -15.722 14.101 1.00 0.00 C ATOM 273 O VAL A 18 -5.558 -16.425 15.038 1.00 0.00 O ATOM 274 CB VAL A 18 -3.476 -13.953 13.984 1.00 0.00 C ATOM 275 CG1 VAL A 18 -3.526 -13.614 15.466 1.00 0.00 C ATOM 276 CG2 VAL A 18 -2.087 -13.604 13.438 1.00 0.00 C ATOM 0 H VAL A 18 -3.034 -15.063 11.810 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.125 -16.040 14.426 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.232 -13.376 13.451 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.319 -12.553 15.604 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.516 -13.845 15.859 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.778 -14.201 15.999 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.892 -12.543 13.591 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.332 -14.191 13.962 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.048 -13.830 12.372 1.00 0.00 H new ATOM 286 N CYS A 19 -6.125 -15.163 13.329 1.00 0.00 N ATOM 287 CA CYS A 19 -7.583 -15.366 13.566 1.00 0.00 C ATOM 288 C CYS A 19 -8.031 -16.711 12.994 1.00 0.00 C ATOM 289 O CYS A 19 -9.038 -17.260 13.395 1.00 0.00 O ATOM 290 CB CYS A 19 -8.335 -14.240 12.865 1.00 0.00 C ATOM 291 SG CYS A 19 -7.466 -12.699 13.199 1.00 0.00 S ATOM 0 H CYS A 19 -5.901 -14.566 12.533 1.00 0.00 H new ATOM 0 HA CYS A 19 -7.790 -15.360 14.636 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -8.384 -14.425 11.792 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -9.362 -14.185 13.226 1.00 0.00 H new ATOM 296 N GLY A 20 -7.301 -17.245 12.055 1.00 0.00 N ATOM 297 CA GLY A 20 -7.707 -18.547 11.461 1.00 0.00 C ATOM 298 C GLY A 20 -9.158 -18.447 10.991 1.00 0.00 C ATOM 299 O GLY A 20 -9.482 -17.676 10.110 1.00 0.00 O ATOM 0 H GLY A 20 -6.446 -16.838 11.676 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -7.056 -18.798 10.624 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -7.603 -19.345 12.196 1.00 0.00 H new ATOM 303 N GLU A 21 -10.038 -19.217 11.573 1.00 0.00 N ATOM 304 CA GLU A 21 -11.469 -19.159 11.158 1.00 0.00 C ATOM 305 C GLU A 21 -12.176 -18.023 11.901 1.00 0.00 C ATOM 306 O GLU A 21 -13.194 -17.525 11.464 1.00 0.00 O ATOM 307 CB GLU A 21 -12.153 -20.489 11.485 1.00 0.00 C ATOM 308 CG GLU A 21 -11.291 -21.651 10.979 1.00 0.00 C ATOM 309 CD GLU A 21 -10.102 -21.870 11.920 1.00 0.00 C ATOM 310 OE1 GLU A 21 -10.112 -21.308 13.003 1.00 0.00 O ATOM 311 OE2 GLU A 21 -9.200 -22.598 11.540 1.00 0.00 O ATOM 0 H GLU A 21 -9.828 -19.883 12.317 1.00 0.00 H new ATOM 0 HA GLU A 21 -11.525 -18.977 10.085 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -12.303 -20.577 12.561 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -13.139 -20.526 11.021 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -11.890 -22.560 10.919 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.934 -21.438 9.972 1.00 0.00 H new ATOM 318 N ARG A 22 -11.646 -17.606 13.017 1.00 0.00 N ATOM 319 CA ARG A 22 -12.295 -16.501 13.777 1.00 0.00 C ATOM 320 C ARG A 22 -12.466 -15.291 12.855 1.00 0.00 C ATOM 321 O ARG A 22 -13.461 -14.596 12.905 1.00 0.00 O ATOM 322 CB ARG A 22 -11.418 -16.119 14.971 1.00 0.00 C ATOM 323 CG ARG A 22 -11.107 -17.369 15.795 1.00 0.00 C ATOM 324 CD ARG A 22 -10.149 -17.005 16.930 1.00 0.00 C ATOM 325 NE ARG A 22 -10.873 -16.193 17.948 1.00 0.00 N ATOM 326 CZ ARG A 22 -10.351 -16.013 19.130 1.00 0.00 C ATOM 327 NH1 ARG A 22 -10.987 -15.304 20.023 1.00 0.00 N ATOM 328 NH2 ARG A 22 -9.193 -16.540 19.419 1.00 0.00 N ATOM 0 H ARG A 22 -10.794 -17.981 13.435 1.00 0.00 H new ATOM 0 HA ARG A 22 -13.271 -16.826 14.138 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -10.493 -15.660 14.624 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -11.928 -15.380 15.589 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -12.027 -17.788 16.202 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -10.662 -18.135 15.160 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -9.750 -17.910 17.388 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -9.300 -16.444 16.538 1.00 0.00 H new ATOM 0 HE ARG A 22 -11.777 -15.778 17.721 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -11.892 -14.891 19.796 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -10.579 -15.163 20.947 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -8.696 -17.093 18.721 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -8.785 -16.399 20.343 1.00 0.00 H new ATOM 342 N GLY A 23 -11.508 -15.044 12.005 1.00 0.00 N ATOM 343 CA GLY A 23 -11.620 -13.889 11.068 1.00 0.00 C ATOM 344 C GLY A 23 -11.371 -12.571 11.811 1.00 0.00 C ATOM 345 O GLY A 23 -11.468 -12.496 13.017 1.00 0.00 O ATOM 0 H GLY A 23 -10.652 -15.592 11.918 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.899 -13.999 10.258 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -12.611 -13.876 10.614 1.00 0.00 H new ATOM 349 N PHE A 24 -11.063 -11.528 11.080 1.00 0.00 N ATOM 350 CA PHE A 24 -10.813 -10.186 11.696 1.00 0.00 C ATOM 351 C PHE A 24 -11.487 -9.134 10.813 1.00 0.00 C ATOM 352 O PHE A 24 -11.990 -9.452 9.753 1.00 0.00 O ATOM 353 CB PHE A 24 -9.314 -9.909 11.748 1.00 0.00 C ATOM 354 CG PHE A 24 -8.735 -10.075 10.367 1.00 0.00 C ATOM 355 CD1 PHE A 24 -8.592 -11.357 9.817 1.00 0.00 C ATOM 356 CD2 PHE A 24 -8.347 -8.948 9.634 1.00 0.00 C ATOM 357 CE1 PHE A 24 -8.062 -11.510 8.532 1.00 0.00 C ATOM 358 CE2 PHE A 24 -7.814 -9.103 8.349 1.00 0.00 C ATOM 359 CZ PHE A 24 -7.674 -10.383 7.801 1.00 0.00 C ATOM 0 H PHE A 24 -10.973 -11.550 10.064 1.00 0.00 H new ATOM 0 HA PHE A 24 -11.212 -10.157 12.710 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -9.131 -8.899 12.114 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -8.829 -10.593 12.444 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -8.891 -12.225 10.385 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -8.458 -7.961 10.059 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -7.953 -12.496 8.105 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -7.511 -8.236 7.781 1.00 0.00 H new ATOM 0 HZ PHE A 24 -7.264 -10.501 6.809 1.00 0.00 H new ATOM 369 N PHE A 25 -11.513 -7.891 11.230 1.00 0.00 N ATOM 370 CA PHE A 25 -12.167 -6.830 10.408 1.00 0.00 C ATOM 371 C PHE A 25 -11.098 -5.899 9.808 1.00 0.00 C ATOM 372 O PHE A 25 -10.310 -5.308 10.519 1.00 0.00 O ATOM 373 CB PHE A 25 -13.128 -6.045 11.318 1.00 0.00 C ATOM 374 CG PHE A 25 -12.389 -4.952 12.058 1.00 0.00 C ATOM 375 CD1 PHE A 25 -12.359 -3.672 11.518 1.00 0.00 C ATOM 376 CD2 PHE A 25 -11.736 -5.220 13.265 1.00 0.00 C ATOM 377 CE1 PHE A 25 -11.679 -2.642 12.177 1.00 0.00 C ATOM 378 CE2 PHE A 25 -11.053 -4.193 13.929 1.00 0.00 C ATOM 379 CZ PHE A 25 -11.025 -2.903 13.385 1.00 0.00 C ATOM 0 H PHE A 25 -11.107 -7.567 12.108 1.00 0.00 H new ATOM 0 HA PHE A 25 -12.724 -7.274 9.583 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -13.929 -5.609 10.720 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -13.596 -6.723 12.032 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -12.863 -3.471 10.584 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -11.758 -6.215 13.684 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -11.659 -1.648 11.754 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -10.547 -4.396 14.861 1.00 0.00 H new ATOM 0 HZ PHE A 25 -10.499 -2.111 13.898 1.00 0.00 H new ATOM 389 N TYR A 26 -11.079 -5.756 8.506 1.00 0.00 N ATOM 390 CA TYR A 26 -10.078 -4.850 7.853 1.00 0.00 C ATOM 391 C TYR A 26 -10.782 -3.535 7.503 1.00 0.00 C ATOM 392 O TYR A 26 -11.994 -3.474 7.445 1.00 0.00 O ATOM 393 CB TYR A 26 -9.536 -5.513 6.567 1.00 0.00 C ATOM 394 CG TYR A 26 -8.129 -5.023 6.274 1.00 0.00 C ATOM 395 CD1 TYR A 26 -7.086 -5.361 7.141 1.00 0.00 C ATOM 396 CD2 TYR A 26 -7.864 -4.248 5.135 1.00 0.00 C ATOM 397 CE1 TYR A 26 -5.782 -4.929 6.878 1.00 0.00 C ATOM 398 CE2 TYR A 26 -6.556 -3.811 4.875 1.00 0.00 C ATOM 399 CZ TYR A 26 -5.517 -4.153 5.746 1.00 0.00 C ATOM 400 OH TYR A 26 -4.230 -3.727 5.487 1.00 0.00 O ATOM 0 H TYR A 26 -11.715 -6.228 7.863 1.00 0.00 H new ATOM 0 HA TYR A 26 -9.242 -4.662 8.527 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -9.534 -6.597 6.682 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -10.191 -5.282 5.727 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -7.288 -5.958 8.018 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -8.665 -3.988 4.459 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -4.979 -5.195 7.550 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -6.352 -3.210 4.001 1.00 0.00 H new ATOM 0 HH TYR A 26 -3.592 -4.380 5.843 1.00 0.00 H new ATOM 410 N THR A 27 -10.047 -2.484 7.264 1.00 0.00 N ATOM 411 CA THR A 27 -10.707 -1.194 6.915 1.00 0.00 C ATOM 412 C THR A 27 -11.725 -1.458 5.787 1.00 0.00 C ATOM 413 O THR A 27 -11.470 -2.291 4.939 1.00 0.00 O ATOM 414 CB THR A 27 -9.649 -0.204 6.422 1.00 0.00 C ATOM 415 OG1 THR A 27 -10.283 0.974 5.945 1.00 0.00 O ATOM 416 CG2 THR A 27 -8.848 -0.845 5.292 1.00 0.00 C ATOM 0 H THR A 27 -9.028 -2.461 7.295 1.00 0.00 H new ATOM 0 HA THR A 27 -11.212 -0.779 7.787 1.00 0.00 H new ATOM 0 HB THR A 27 -8.981 0.055 7.244 1.00 0.00 H new ATOM 0 HG1 THR A 27 -9.604 1.607 5.632 1.00 0.00 H new ATOM 0 HG21 THR A 27 -8.093 -0.143 4.938 1.00 0.00 H new ATOM 0 HG22 THR A 27 -8.360 -1.748 5.659 1.00 0.00 H new ATOM 0 HG23 THR A 27 -9.518 -1.102 4.472 1.00 0.00 H new ATOM 424 N PRO A 28 -12.849 -0.766 5.784 1.00 0.00 N ATOM 425 CA PRO A 28 -13.859 -0.975 4.737 1.00 0.00 C ATOM 426 C PRO A 28 -13.224 -0.789 3.351 1.00 0.00 C ATOM 427 O PRO A 28 -12.801 -1.738 2.721 1.00 0.00 O ATOM 428 CB PRO A 28 -14.959 0.083 5.024 1.00 0.00 C ATOM 429 CG PRO A 28 -14.485 0.923 6.242 1.00 0.00 C ATOM 430 CD PRO A 28 -13.207 0.255 6.789 1.00 0.00 C ATOM 0 HA PRO A 28 -14.277 -1.982 4.743 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -15.115 0.721 4.154 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -15.912 -0.401 5.239 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -14.284 1.952 5.944 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -15.259 0.959 7.009 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -12.405 0.982 6.916 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -13.385 -0.197 7.765 1.00 0.00 H new ATOM 438 N ARG A 29 -13.176 0.420 2.866 1.00 0.00 N ATOM 439 CA ARG A 29 -12.597 0.665 1.520 1.00 0.00 C ATOM 440 C ARG A 29 -12.541 2.171 1.263 1.00 0.00 C ATOM 441 O ARG A 29 -12.538 2.622 0.135 1.00 0.00 O ATOM 442 CB ARG A 29 -13.492 0.005 0.461 1.00 0.00 C ATOM 443 CG ARG A 29 -14.970 0.470 0.617 1.00 0.00 C ATOM 444 CD ARG A 29 -15.827 -0.598 1.328 1.00 0.00 C ATOM 445 NE ARG A 29 -15.631 -1.925 0.677 1.00 0.00 N ATOM 446 CZ ARG A 29 -16.003 -3.015 1.290 1.00 0.00 C ATOM 447 NH1 ARG A 29 -15.835 -4.175 0.717 1.00 0.00 N ATOM 448 NH2 ARG A 29 -16.542 -2.946 2.476 1.00 0.00 N ATOM 0 H ARG A 29 -13.515 1.252 3.348 1.00 0.00 H new ATOM 0 HA ARG A 29 -11.592 0.246 1.468 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -13.130 0.257 -0.536 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -13.435 -1.079 0.555 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -15.002 1.400 1.184 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -15.392 0.681 -0.366 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -15.551 -0.656 2.381 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -16.879 -0.317 1.289 1.00 0.00 H new ATOM 0 HE ARG A 29 -15.206 -1.981 -0.248 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -15.413 -4.230 -0.210 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -16.126 -5.027 1.196 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -16.673 -2.039 2.925 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -16.833 -3.799 2.955 1.00 0.00 H new ATOM 462 N THR A 30 -12.512 2.951 2.306 1.00 0.00 N ATOM 463 CA THR A 30 -12.474 4.432 2.135 1.00 0.00 C ATOM 464 C THR A 30 -11.044 4.891 1.844 1.00 0.00 C ATOM 465 O THR A 30 -10.196 4.905 2.714 1.00 0.00 O ATOM 466 CB THR A 30 -12.972 5.102 3.418 1.00 0.00 C ATOM 467 OG1 THR A 30 -12.331 4.509 4.539 1.00 0.00 O ATOM 468 CG2 THR A 30 -14.485 4.918 3.538 1.00 0.00 C ATOM 0 H THR A 30 -12.513 2.627 3.273 1.00 0.00 H new ATOM 0 HA THR A 30 -13.114 4.712 1.299 1.00 0.00 H new ATOM 0 HB THR A 30 -12.739 6.166 3.386 1.00 0.00 H new ATOM 0 HG1 THR A 30 -11.758 5.173 4.977 1.00 0.00 H new ATOM 0 HG21 THR A 30 -14.838 5.396 4.452 1.00 0.00 H new ATOM 0 HG22 THR A 30 -14.976 5.373 2.678 1.00 0.00 H new ATOM 0 HG23 THR A 30 -14.721 3.854 3.570 1.00 0.00 H new ATOM 476 N GLU A 31 -10.774 5.277 0.625 1.00 0.00 N ATOM 477 CA GLU A 31 -9.403 5.749 0.271 1.00 0.00 C ATOM 478 C GLU A 31 -9.319 7.256 0.516 1.00 0.00 C ATOM 479 O GLU A 31 -8.249 7.829 0.574 1.00 0.00 O ATOM 480 CB GLU A 31 -9.129 5.459 -1.206 1.00 0.00 C ATOM 481 CG GLU A 31 -9.093 3.947 -1.433 1.00 0.00 C ATOM 482 CD GLU A 31 -8.491 3.652 -2.808 1.00 0.00 C ATOM 483 OE1 GLU A 31 -7.570 4.353 -3.193 1.00 0.00 O ATOM 484 OE2 GLU A 31 -8.963 2.730 -3.453 1.00 0.00 O ATOM 0 H GLU A 31 -11.446 5.286 -0.143 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.665 5.232 0.884 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -9.903 5.912 -1.826 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -8.180 5.905 -1.505 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -8.501 3.466 -0.654 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -10.100 3.535 -1.369 1.00 0.00 H new ATOM 491 N GLU A 32 -10.444 7.901 0.663 1.00 0.00 N ATOM 492 CA GLU A 32 -10.438 9.370 0.907 1.00 0.00 C ATOM 493 C GLU A 32 -9.875 9.643 2.302 1.00 0.00 C ATOM 494 O GLU A 32 -9.220 10.638 2.540 1.00 0.00 O ATOM 495 CB GLU A 32 -11.871 9.910 0.815 1.00 0.00 C ATOM 496 CG GLU A 32 -12.589 9.268 -0.375 1.00 0.00 C ATOM 497 CD GLU A 32 -11.799 9.540 -1.657 1.00 0.00 C ATOM 498 OE1 GLU A 32 -11.725 10.692 -2.050 1.00 0.00 O ATOM 499 OE2 GLU A 32 -11.282 8.591 -2.223 1.00 0.00 O ATOM 0 H GLU A 32 -11.369 7.472 0.624 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.819 9.865 0.159 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -12.411 9.695 1.737 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.855 10.994 0.701 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -12.688 8.194 -0.217 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -13.598 9.671 -0.465 1.00 0.00 H new ATOM 506 N GLY A 33 -10.126 8.756 3.220 1.00 0.00 N ATOM 507 CA GLY A 33 -9.611 8.939 4.606 1.00 0.00 C ATOM 508 C GLY A 33 -9.894 7.675 5.413 1.00 0.00 C ATOM 509 O GLY A 33 -10.877 6.995 5.195 1.00 0.00 O ATOM 0 H GLY A 33 -10.669 7.906 3.071 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.540 9.141 4.586 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -10.089 9.799 5.074 1.00 0.00 H new ATOM 513 N SER A 34 -9.035 7.351 6.343 1.00 0.00 N ATOM 514 CA SER A 34 -9.241 6.122 7.171 1.00 0.00 C ATOM 515 C SER A 34 -9.806 6.504 8.536 1.00 0.00 C ATOM 516 O SER A 34 -10.244 7.615 8.757 1.00 0.00 O ATOM 517 CB SER A 34 -7.905 5.412 7.372 1.00 0.00 C ATOM 518 OG SER A 34 -8.117 4.226 8.123 1.00 0.00 O ATOM 0 H SER A 34 -8.196 7.886 6.567 1.00 0.00 H new ATOM 0 HA SER A 34 -9.940 5.462 6.657 1.00 0.00 H new ATOM 0 HB2 SER A 34 -7.458 5.171 6.407 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.206 6.067 7.892 1.00 0.00 H new ATOM 0 HG SER A 34 -7.921 3.445 7.564 1.00 0.00 H new ATOM 524 N ARG A 35 -9.803 5.575 9.453 1.00 0.00 N ATOM 525 CA ARG A 35 -10.342 5.847 10.815 1.00 0.00 C ATOM 526 C ARG A 35 -9.565 5.011 11.838 1.00 0.00 C ATOM 527 O ARG A 35 -8.371 5.164 12.005 1.00 0.00 O ATOM 528 CB ARG A 35 -11.827 5.459 10.850 1.00 0.00 C ATOM 529 CG ARG A 35 -12.023 4.073 10.211 1.00 0.00 C ATOM 530 CD ARG A 35 -13.515 3.784 10.067 1.00 0.00 C ATOM 531 NE ARG A 35 -13.713 2.335 9.783 1.00 0.00 N ATOM 532 CZ ARG A 35 -14.896 1.800 9.905 1.00 0.00 C ATOM 533 NH1 ARG A 35 -15.067 0.531 9.658 1.00 0.00 N ATOM 534 NH2 ARG A 35 -15.909 2.535 10.275 1.00 0.00 N ATOM 0 H ARG A 35 -9.446 4.630 9.314 1.00 0.00 H new ATOM 0 HA ARG A 35 -10.236 6.905 11.057 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -12.184 5.448 11.880 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -12.418 6.202 10.315 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -11.540 4.039 9.235 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -11.551 3.307 10.827 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -14.040 4.062 10.981 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -13.937 4.385 9.261 1.00 0.00 H new ATOM 0 HE ARG A 35 -12.922 1.760 9.493 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -14.275 -0.044 9.369 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -15.993 0.113 9.754 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -15.775 3.527 10.469 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -16.834 2.117 10.371 1.00 0.00 H new ATOM 548 N ARG A 36 -10.238 4.126 12.514 1.00 0.00 N ATOM 549 CA ARG A 36 -9.567 3.264 13.521 1.00 0.00 C ATOM 550 C ARG A 36 -8.358 2.583 12.904 1.00 0.00 C ATOM 551 O ARG A 36 -7.314 2.491 13.504 1.00 0.00 O ATOM 552 CB ARG A 36 -10.539 2.177 13.979 1.00 0.00 C ATOM 553 CG ARG A 36 -11.855 2.813 14.465 1.00 0.00 C ATOM 554 CD ARG A 36 -12.501 1.939 15.557 1.00 0.00 C ATOM 555 NE ARG A 36 -13.993 2.066 15.493 1.00 0.00 N ATOM 556 CZ ARG A 36 -14.573 3.236 15.437 1.00 0.00 C ATOM 557 NH1 ARG A 36 -15.863 3.309 15.252 1.00 0.00 N ATOM 558 NH2 ARG A 36 -13.885 4.329 15.622 1.00 0.00 N ATOM 0 H ARG A 36 -11.239 3.961 12.410 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.255 3.885 14.361 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -10.740 1.489 13.158 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -10.090 1.592 14.782 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -11.661 3.812 14.857 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -12.543 2.927 13.627 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -12.209 0.897 15.422 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -12.143 2.245 16.540 1.00 0.00 H new ATOM 0 HE ARG A 36 -14.567 1.223 15.493 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -16.413 2.456 15.152 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -16.321 4.219 15.207 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -12.884 4.276 15.813 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -14.348 5.237 15.576 1.00 0.00 H new ATOM 572 N SER A 37 -8.543 2.078 11.723 1.00 0.00 N ATOM 573 CA SER A 37 -7.468 1.337 10.980 1.00 0.00 C ATOM 574 C SER A 37 -6.049 1.777 11.399 1.00 0.00 C ATOM 575 O SER A 37 -5.139 0.973 11.442 1.00 0.00 O ATOM 576 CB SER A 37 -7.664 1.569 9.475 1.00 0.00 C ATOM 577 OG SER A 37 -9.034 1.856 9.224 1.00 0.00 O ATOM 0 H SER A 37 -9.425 2.146 11.215 1.00 0.00 H new ATOM 0 HA SER A 37 -7.555 0.278 11.224 1.00 0.00 H new ATOM 0 HB2 SER A 37 -7.038 2.395 9.137 1.00 0.00 H new ATOM 0 HB3 SER A 37 -7.356 0.686 8.915 1.00 0.00 H new ATOM 0 HG SER A 37 -9.116 2.756 8.846 1.00 0.00 H new ATOM 583 N ARG A 38 -5.846 3.030 11.706 1.00 0.00 N ATOM 584 CA ARG A 38 -4.477 3.477 12.115 1.00 0.00 C ATOM 585 C ARG A 38 -4.032 2.671 13.341 1.00 0.00 C ATOM 586 O ARG A 38 -2.872 2.634 13.692 1.00 0.00 O ATOM 587 CB ARG A 38 -4.513 4.965 12.471 1.00 0.00 C ATOM 588 CG ARG A 38 -5.538 5.201 13.589 1.00 0.00 C ATOM 589 CD ARG A 38 -5.781 6.715 13.788 1.00 0.00 C ATOM 590 NE ARG A 38 -5.806 7.044 15.250 1.00 0.00 N ATOM 591 CZ ARG A 38 -6.491 6.321 16.100 1.00 0.00 C ATOM 592 NH1 ARG A 38 -6.429 6.591 17.375 1.00 0.00 N ATOM 593 NH2 ARG A 38 -7.259 5.354 15.681 1.00 0.00 N ATOM 0 H ARG A 38 -6.559 3.759 11.693 1.00 0.00 H new ATOM 0 HA ARG A 38 -3.777 3.317 11.295 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -3.526 5.297 12.793 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -4.776 5.554 11.592 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -6.477 4.705 13.341 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -5.180 4.759 14.519 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -4.996 7.286 13.292 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -6.725 7.004 13.326 1.00 0.00 H new ATOM 0 HE ARG A 38 -5.278 7.848 15.590 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -5.849 7.362 17.705 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -6.961 6.031 18.041 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -7.330 5.155 14.683 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -7.789 4.796 16.351 1.00 0.00 H new ATOM 607 N GLY A 39 -4.949 2.022 13.994 1.00 0.00 N ATOM 608 CA GLY A 39 -4.588 1.210 15.189 1.00 0.00 C ATOM 609 C GLY A 39 -4.132 -0.183 14.747 1.00 0.00 C ATOM 610 O GLY A 39 -3.319 -0.811 15.393 1.00 0.00 O ATOM 0 H GLY A 39 -5.940 2.017 13.752 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.793 1.703 15.749 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.445 1.128 15.857 1.00 0.00 H new ATOM 614 N ILE A 40 -4.680 -0.684 13.663 1.00 0.00 N ATOM 615 CA ILE A 40 -4.316 -2.057 13.180 1.00 0.00 C ATOM 616 C ILE A 40 -3.298 -1.976 12.015 1.00 0.00 C ATOM 617 O ILE A 40 -2.259 -2.606 12.056 1.00 0.00 O ATOM 618 CB ILE A 40 -5.631 -2.774 12.758 1.00 0.00 C ATOM 619 CG1 ILE A 40 -5.586 -4.317 12.994 1.00 0.00 C ATOM 620 CG2 ILE A 40 -5.980 -2.485 11.293 1.00 0.00 C ATOM 621 CD1 ILE A 40 -4.176 -4.923 12.829 1.00 0.00 C ATOM 0 H ILE A 40 -5.368 -0.197 13.089 1.00 0.00 H new ATOM 0 HA ILE A 40 -3.830 -2.628 13.971 1.00 0.00 H new ATOM 0 HB ILE A 40 -6.411 -2.365 13.401 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -5.951 -4.534 13.998 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.266 -4.804 12.295 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -6.904 -3.001 11.030 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.112 -1.412 11.155 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -5.173 -2.837 10.650 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -4.219 -5.998 13.007 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.816 -4.737 11.817 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.496 -4.463 13.546 1.00 0.00 H new ATOM 633 N VAL A 41 -3.586 -1.238 10.969 1.00 0.00 N ATOM 634 CA VAL A 41 -2.626 -1.181 9.819 1.00 0.00 C ATOM 635 C VAL A 41 -1.354 -0.427 10.204 1.00 0.00 C ATOM 636 O VAL A 41 -0.276 -0.979 10.205 1.00 0.00 O ATOM 637 CB VAL A 41 -3.274 -0.475 8.617 1.00 0.00 C ATOM 638 CG1 VAL A 41 -2.450 -0.762 7.357 1.00 0.00 C ATOM 639 CG2 VAL A 41 -4.704 -0.986 8.412 1.00 0.00 C ATOM 0 H VAL A 41 -4.433 -0.679 10.861 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.369 -2.206 9.553 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.302 0.598 8.807 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.906 -0.263 6.502 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.434 -0.391 7.494 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.422 -1.837 7.177 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.153 -0.479 7.558 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.684 -2.060 8.227 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.294 -0.783 9.306 1.00 0.00 H new ATOM 649 N GLU A 42 -1.465 0.833 10.503 1.00 0.00 N ATOM 650 CA GLU A 42 -0.251 1.622 10.853 1.00 0.00 C ATOM 651 C GLU A 42 0.490 0.966 12.024 1.00 0.00 C ATOM 652 O GLU A 42 1.678 0.739 11.964 1.00 0.00 O ATOM 653 CB GLU A 42 -0.659 3.047 11.239 1.00 0.00 C ATOM 654 CG GLU A 42 -1.087 3.851 10.000 1.00 0.00 C ATOM 655 CD GLU A 42 -1.984 3.008 9.086 1.00 0.00 C ATOM 656 OE1 GLU A 42 -1.466 2.105 8.450 1.00 0.00 O ATOM 657 OE2 GLU A 42 -3.171 3.284 9.034 1.00 0.00 O ATOM 0 H GLU A 42 -2.342 1.353 10.521 1.00 0.00 H new ATOM 0 HA GLU A 42 0.412 1.652 9.988 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.479 3.013 11.956 1.00 0.00 H new ATOM 0 HB3 GLU A 42 0.175 3.547 11.732 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -1.619 4.750 10.311 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.204 4.177 9.450 1.00 0.00 H new ATOM 664 N GLN A 43 -0.189 0.667 13.093 1.00 0.00 N ATOM 665 CA GLN A 43 0.505 0.040 14.255 1.00 0.00 C ATOM 666 C GLN A 43 1.362 -1.138 13.782 1.00 0.00 C ATOM 667 O GLN A 43 2.541 -1.211 14.064 1.00 0.00 O ATOM 668 CB GLN A 43 -0.533 -0.459 15.264 1.00 0.00 C ATOM 669 CG GLN A 43 0.172 -0.982 16.528 1.00 0.00 C ATOM 670 CD GLN A 43 -0.800 -0.961 17.711 1.00 0.00 C ATOM 671 OE1 GLN A 43 -1.989 -0.781 17.532 1.00 0.00 O ATOM 672 NE2 GLN A 43 -0.341 -1.136 18.920 1.00 0.00 N ATOM 0 H GLN A 43 -1.189 0.827 13.215 1.00 0.00 H new ATOM 0 HA GLN A 43 1.148 0.783 14.727 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -1.215 0.349 15.526 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -1.134 -1.252 14.818 1.00 0.00 H new ATOM 0 HG2 GLN A 43 0.533 -1.997 16.360 1.00 0.00 H new ATOM 0 HG3 GLN A 43 1.043 -0.366 16.751 1.00 0.00 H new ATOM 0 HE21 GLN A 43 0.657 -1.287 19.070 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -0.980 -1.122 19.715 1.00 0.00 H new ATOM 681 N CYS A 44 0.778 -2.068 13.076 1.00 0.00 N ATOM 682 CA CYS A 44 1.553 -3.243 12.599 1.00 0.00 C ATOM 683 C CYS A 44 2.457 -2.832 11.427 1.00 0.00 C ATOM 684 O CYS A 44 3.648 -3.066 11.435 1.00 0.00 O ATOM 685 CB CYS A 44 0.563 -4.331 12.172 1.00 0.00 C ATOM 686 SG CYS A 44 -0.315 -4.938 13.634 1.00 0.00 S ATOM 0 H CYS A 44 -0.207 -2.062 12.809 1.00 0.00 H new ATOM 0 HA CYS A 44 2.192 -3.627 13.394 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -0.146 -3.931 11.447 1.00 0.00 H new ATOM 0 HB3 CYS A 44 1.091 -5.150 11.684 1.00 0.00 H new ATOM 691 N CYS A 45 1.901 -2.223 10.425 1.00 0.00 N ATOM 692 CA CYS A 45 2.720 -1.787 9.253 1.00 0.00 C ATOM 693 C CYS A 45 3.802 -0.796 9.698 1.00 0.00 C ATOM 694 O CYS A 45 4.966 -0.965 9.399 1.00 0.00 O ATOM 695 CB CYS A 45 1.801 -1.109 8.235 1.00 0.00 C ATOM 696 SG CYS A 45 2.758 -0.578 6.789 1.00 0.00 S ATOM 0 H CYS A 45 0.907 -2.004 10.361 1.00 0.00 H new ATOM 0 HA CYS A 45 3.203 -2.657 8.807 1.00 0.00 H new ATOM 0 HB2 CYS A 45 1.015 -1.798 7.927 1.00 0.00 H new ATOM 0 HB3 CYS A 45 1.311 -0.250 8.692 1.00 0.00 H new ATOM 701 N ARG A 46 3.433 0.243 10.393 1.00 0.00 N ATOM 702 CA ARG A 46 4.450 1.242 10.832 1.00 0.00 C ATOM 703 C ARG A 46 5.369 0.629 11.897 1.00 0.00 C ATOM 704 O ARG A 46 6.544 0.933 11.954 1.00 0.00 O ATOM 705 CB ARG A 46 3.733 2.476 11.410 1.00 0.00 C ATOM 706 CG ARG A 46 4.674 3.710 11.445 1.00 0.00 C ATOM 707 CD ARG A 46 5.371 3.821 12.810 1.00 0.00 C ATOM 708 NE ARG A 46 4.352 3.834 13.915 1.00 0.00 N ATOM 709 CZ ARG A 46 3.407 4.736 13.972 1.00 0.00 C ATOM 710 NH1 ARG A 46 2.471 4.635 14.875 1.00 0.00 N ATOM 711 NH2 ARG A 46 3.420 5.764 13.169 1.00 0.00 N ATOM 0 H ARG A 46 2.474 0.445 10.676 1.00 0.00 H new ATOM 0 HA ARG A 46 5.056 1.538 9.976 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.854 2.704 10.808 1.00 0.00 H new ATOM 0 HB3 ARG A 46 3.381 2.256 12.418 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.421 3.627 10.655 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.101 4.616 11.248 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.055 2.983 12.946 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.970 4.731 12.847 1.00 0.00 H new ATOM 0 HE ARG A 46 4.399 3.119 14.641 1.00 0.00 H new ATOM 0 HH11 ARG A 46 2.479 3.855 15.532 1.00 0.00 H new ATOM 0 HH12 ARG A 46 1.732 5.336 14.924 1.00 0.00 H new ATOM 0 HH21 ARG A 46 4.172 5.870 12.488 1.00 0.00 H new ATOM 0 HH22 ARG A 46 2.678 6.462 13.222 1.00 0.00 H new ATOM 725 N SER A 47 4.849 -0.231 12.743 1.00 0.00 N ATOM 726 CA SER A 47 5.700 -0.858 13.809 1.00 0.00 C ATOM 727 C SER A 47 5.407 -2.354 13.874 1.00 0.00 C ATOM 728 O SER A 47 4.299 -2.783 13.656 1.00 0.00 O ATOM 729 CB SER A 47 5.373 -0.218 15.158 1.00 0.00 C ATOM 730 OG SER A 47 5.635 1.178 15.092 1.00 0.00 O ATOM 0 H SER A 47 3.873 -0.526 12.742 1.00 0.00 H new ATOM 0 HA SER A 47 6.753 -0.702 13.576 1.00 0.00 H new ATOM 0 HB2 SER A 47 4.327 -0.392 15.412 1.00 0.00 H new ATOM 0 HB3 SER A 47 5.972 -0.675 15.945 1.00 0.00 H new ATOM 0 HG SER A 47 5.425 1.591 15.955 1.00 0.00 H new ATOM 736 N ILE A 48 6.391 -3.156 14.173 1.00 0.00 N ATOM 737 CA ILE A 48 6.150 -4.624 14.240 1.00 0.00 C ATOM 738 C ILE A 48 5.257 -4.946 15.440 1.00 0.00 C ATOM 739 O ILE A 48 5.713 -5.023 16.564 1.00 0.00 O ATOM 740 CB ILE A 48 7.485 -5.355 14.390 1.00 0.00 C ATOM 741 CG1 ILE A 48 8.497 -4.781 13.395 1.00 0.00 C ATOM 742 CG2 ILE A 48 7.286 -6.845 14.107 1.00 0.00 C ATOM 743 CD1 ILE A 48 9.823 -5.531 13.530 1.00 0.00 C ATOM 0 H ILE A 48 7.347 -2.860 14.373 1.00 0.00 H new ATOM 0 HA ILE A 48 5.657 -4.949 13.324 1.00 0.00 H new ATOM 0 HB ILE A 48 7.857 -5.223 15.406 1.00 0.00 H new ATOM 0 HG12 ILE A 48 8.116 -4.873 12.378 1.00 0.00 H new ATOM 0 HG13 ILE A 48 8.647 -3.718 13.584 1.00 0.00 H new ATOM 0 HG21 ILE A 48 8.237 -7.366 14.214 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.566 -7.257 14.814 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.913 -6.976 13.091 1.00 0.00 H new ATOM 0 HD11 ILE A 48 10.545 -5.124 12.822 1.00 0.00 H new ATOM 0 HD12 ILE A 48 10.205 -5.416 14.544 1.00 0.00 H new ATOM 0 HD13 ILE A 48 9.666 -6.589 13.320 1.00 0.00 H new ATOM 755 N CYS A 49 3.985 -5.139 15.208 1.00 0.00 N ATOM 756 CA CYS A 49 3.059 -5.462 16.331 1.00 0.00 C ATOM 757 C CYS A 49 3.117 -6.966 16.611 1.00 0.00 C ATOM 758 O CYS A 49 3.163 -7.774 15.704 1.00 0.00 O ATOM 759 CB CYS A 49 1.632 -5.056 15.950 1.00 0.00 C ATOM 760 SG CYS A 49 1.044 -6.093 14.586 1.00 0.00 S ATOM 0 H CYS A 49 3.548 -5.087 14.288 1.00 0.00 H new ATOM 0 HA CYS A 49 3.357 -4.915 17.226 1.00 0.00 H new ATOM 0 HB2 CYS A 49 0.972 -5.162 16.811 1.00 0.00 H new ATOM 0 HB3 CYS A 49 1.608 -4.006 15.658 1.00 0.00 H new ATOM 765 N SER A 50 3.129 -7.347 17.858 1.00 0.00 N ATOM 766 CA SER A 50 3.201 -8.798 18.196 1.00 0.00 C ATOM 767 C SER A 50 1.890 -9.493 17.820 1.00 0.00 C ATOM 768 O SER A 50 0.861 -8.865 17.667 1.00 0.00 O ATOM 769 CB SER A 50 3.443 -8.957 19.696 1.00 0.00 C ATOM 770 OG SER A 50 4.470 -8.063 20.105 1.00 0.00 O ATOM 0 H SER A 50 3.092 -6.717 18.659 1.00 0.00 H new ATOM 0 HA SER A 50 4.019 -9.253 17.637 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.526 -8.751 20.248 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.728 -9.984 19.923 1.00 0.00 H new ATOM 0 HG SER A 50 4.626 -8.162 21.067 1.00 0.00 H new ATOM 776 N LEU A 51 1.925 -10.791 17.678 1.00 0.00 N ATOM 777 CA LEU A 51 0.687 -11.540 17.322 1.00 0.00 C ATOM 778 C LEU A 51 -0.414 -11.190 18.320 1.00 0.00 C ATOM 779 O LEU A 51 -1.580 -11.151 17.983 1.00 0.00 O ATOM 780 CB LEU A 51 0.964 -13.044 17.382 1.00 0.00 C ATOM 781 CG LEU A 51 2.220 -13.375 16.570 1.00 0.00 C ATOM 782 CD1 LEU A 51 2.497 -14.877 16.661 1.00 0.00 C ATOM 783 CD2 LEU A 51 2.008 -12.978 15.102 1.00 0.00 C ATOM 0 H LEU A 51 2.760 -11.365 17.794 1.00 0.00 H new ATOM 0 HA LEU A 51 0.373 -11.269 16.314 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.097 -13.357 18.418 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.110 -13.596 16.989 1.00 0.00 H new ATOM 0 HG LEU A 51 3.069 -12.821 16.970 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.390 -15.118 16.085 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.652 -15.156 17.703 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.647 -15.429 16.260 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.904 -13.215 14.528 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.160 -13.529 14.695 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.810 -11.908 15.039 1.00 0.00 H new ATOM 795 N TYR A 52 -0.054 -10.933 19.547 1.00 0.00 N ATOM 796 CA TYR A 52 -1.082 -10.583 20.567 1.00 0.00 C ATOM 797 C TYR A 52 -1.988 -9.482 20.004 1.00 0.00 C ATOM 798 O TYR A 52 -3.199 -9.581 20.039 1.00 0.00 O ATOM 799 CB TYR A 52 -0.383 -10.088 21.843 1.00 0.00 C ATOM 800 CG TYR A 52 -1.288 -10.285 23.037 1.00 0.00 C ATOM 801 CD1 TYR A 52 -2.320 -9.377 23.280 1.00 0.00 C ATOM 802 CD2 TYR A 52 -1.094 -11.373 23.898 1.00 0.00 C ATOM 803 CE1 TYR A 52 -3.164 -9.552 24.383 1.00 0.00 C ATOM 804 CE2 TYR A 52 -1.937 -11.549 25.003 1.00 0.00 C ATOM 805 CZ TYR A 52 -2.972 -10.638 25.245 1.00 0.00 C ATOM 806 OH TYR A 52 -3.803 -10.811 26.333 1.00 0.00 O ATOM 0 H TYR A 52 0.907 -10.950 19.887 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.684 -11.459 20.808 1.00 0.00 H new ATOM 0 HB2 TYR A 52 0.551 -10.631 21.990 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -0.126 -9.034 21.741 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -2.468 -8.538 22.616 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -0.295 -12.075 23.710 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -3.963 -8.849 24.569 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.788 -12.387 25.668 1.00 0.00 H new ATOM 0 HH TYR A 52 -3.533 -11.613 26.826 1.00 0.00 H new ATOM 816 N GLN A 53 -1.407 -8.439 19.478 1.00 0.00 N ATOM 817 CA GLN A 53 -2.228 -7.337 18.902 1.00 0.00 C ATOM 818 C GLN A 53 -3.031 -7.877 17.722 1.00 0.00 C ATOM 819 O GLN A 53 -4.233 -7.723 17.653 1.00 0.00 O ATOM 820 CB GLN A 53 -1.313 -6.218 18.412 1.00 0.00 C ATOM 821 CG GLN A 53 -0.521 -5.644 19.588 1.00 0.00 C ATOM 822 CD GLN A 53 0.092 -4.304 19.179 1.00 0.00 C ATOM 823 OE1 GLN A 53 -0.548 -3.508 18.522 1.00 0.00 O ATOM 824 NE2 GLN A 53 1.314 -4.019 19.537 1.00 0.00 N ATOM 0 H GLN A 53 -0.398 -8.302 19.422 1.00 0.00 H new ATOM 0 HA GLN A 53 -2.902 -6.948 19.666 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -0.630 -6.600 17.654 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -1.904 -5.432 17.942 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -1.174 -5.510 20.450 1.00 0.00 H new ATOM 0 HG3 GLN A 53 0.263 -6.339 19.887 1.00 0.00 H new ATOM 0 HE21 GLN A 53 1.853 -4.687 20.089 1.00 0.00 H new ATOM 0 HE22 GLN A 53 1.731 -3.129 19.265 1.00 0.00 H new ATOM 833 N LEU A 54 -2.374 -8.511 16.789 1.00 0.00 N ATOM 834 CA LEU A 54 -3.104 -9.062 15.618 1.00 0.00 C ATOM 835 C LEU A 54 -4.215 -9.970 16.119 1.00 0.00 C ATOM 836 O LEU A 54 -5.289 -10.042 15.556 1.00 0.00 O ATOM 837 CB LEU A 54 -2.146 -9.853 14.745 1.00 0.00 C ATOM 838 CG LEU A 54 -1.071 -8.914 14.202 1.00 0.00 C ATOM 839 CD1 LEU A 54 -0.049 -9.730 13.402 1.00 0.00 C ATOM 840 CD2 LEU A 54 -1.708 -7.838 13.299 1.00 0.00 C ATOM 0 H LEU A 54 -1.366 -8.670 16.789 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.529 -8.250 15.028 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.687 -10.656 15.322 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.687 -10.321 13.922 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.573 -8.416 15.034 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.722 -9.065 13.011 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.410 -10.476 14.051 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.551 -10.230 12.574 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.931 -7.175 12.919 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.216 -8.319 12.463 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.428 -7.258 13.876 1.00 0.00 H new ATOM 852 N GLU A 55 -3.955 -10.657 17.188 1.00 0.00 N ATOM 853 CA GLU A 55 -4.977 -11.568 17.767 1.00 0.00 C ATOM 854 C GLU A 55 -6.072 -10.737 18.441 1.00 0.00 C ATOM 855 O GLU A 55 -7.084 -11.251 18.873 1.00 0.00 O ATOM 856 CB GLU A 55 -4.317 -12.484 18.801 1.00 0.00 C ATOM 857 CG GLU A 55 -5.189 -13.722 19.035 1.00 0.00 C ATOM 858 CD GLU A 55 -4.712 -14.453 20.292 1.00 0.00 C ATOM 859 OE1 GLU A 55 -5.377 -14.337 21.308 1.00 0.00 O ATOM 860 OE2 GLU A 55 -3.691 -15.115 20.216 1.00 0.00 O ATOM 0 H GLU A 55 -3.069 -10.628 17.693 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.417 -12.175 16.976 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.329 -12.785 18.454 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.176 -11.946 19.738 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -6.233 -13.429 19.146 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -5.135 -14.386 18.173 1.00 0.00 H new ATOM 867 N ASN A 56 -5.856 -9.458 18.559 1.00 0.00 N ATOM 868 CA ASN A 56 -6.860 -8.585 19.235 1.00 0.00 C ATOM 869 C ASN A 56 -8.012 -8.237 18.284 1.00 0.00 C ATOM 870 O ASN A 56 -9.085 -7.862 18.715 1.00 0.00 O ATOM 871 CB ASN A 56 -6.161 -7.295 19.681 1.00 0.00 C ATOM 872 CG ASN A 56 -6.983 -6.605 20.770 1.00 0.00 C ATOM 873 OD1 ASN A 56 -8.196 -6.580 20.711 1.00 0.00 O ATOM 874 ND2 ASN A 56 -6.364 -6.040 21.771 1.00 0.00 N ATOM 0 H ASN A 56 -5.025 -8.976 18.216 1.00 0.00 H new ATOM 0 HA ASN A 56 -7.274 -9.115 20.093 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -5.163 -7.523 20.056 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -6.036 -6.626 18.829 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -6.899 -5.577 22.505 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -5.345 -6.062 21.819 1.00 0.00 H new ATOM 881 N TYR A 57 -7.795 -8.331 17.000 1.00 0.00 N ATOM 882 CA TYR A 57 -8.868 -7.977 16.018 1.00 0.00 C ATOM 883 C TYR A 57 -9.551 -9.242 15.492 1.00 0.00 C ATOM 884 O TYR A 57 -10.526 -9.174 14.770 1.00 0.00 O ATOM 885 CB TYR A 57 -8.218 -7.216 14.864 1.00 0.00 C ATOM 886 CG TYR A 57 -7.180 -6.277 15.432 1.00 0.00 C ATOM 887 CD1 TYR A 57 -7.551 -5.032 15.950 1.00 0.00 C ATOM 888 CD2 TYR A 57 -5.845 -6.665 15.441 1.00 0.00 C ATOM 889 CE1 TYR A 57 -6.577 -4.175 16.475 1.00 0.00 C ATOM 890 CE2 TYR A 57 -4.866 -5.813 15.966 1.00 0.00 C ATOM 891 CZ TYR A 57 -5.232 -4.566 16.485 1.00 0.00 C ATOM 892 OH TYR A 57 -4.270 -3.723 17.003 1.00 0.00 O ATOM 0 H TYR A 57 -6.916 -8.639 16.584 1.00 0.00 H new ATOM 0 HA TYR A 57 -9.627 -7.361 16.501 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -7.756 -7.912 14.164 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -8.970 -6.657 14.308 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -8.589 -4.732 15.945 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -5.562 -7.628 15.041 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -6.862 -3.212 16.872 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -3.830 -6.118 15.970 1.00 0.00 H new ATOM 0 HH TYR A 57 -3.390 -4.149 16.933 1.00 0.00 H new ATOM 902 N CYS A 58 -9.053 -10.392 15.843 1.00 0.00 N ATOM 903 CA CYS A 58 -9.680 -11.648 15.360 1.00 0.00 C ATOM 904 C CYS A 58 -11.119 -11.725 15.862 1.00 0.00 C ATOM 905 O CYS A 58 -11.382 -12.124 16.979 1.00 0.00 O ATOM 906 CB CYS A 58 -8.878 -12.843 15.869 1.00 0.00 C ATOM 907 SG CYS A 58 -7.202 -12.756 15.195 1.00 0.00 S ATOM 0 H CYS A 58 -8.238 -10.516 16.444 1.00 0.00 H new ATOM 0 HA CYS A 58 -9.685 -11.662 14.270 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -8.846 -12.839 16.959 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -9.357 -13.774 15.567 1.00 0.00 H new ATOM 912 N GLY A 59 -12.052 -11.340 15.038 1.00 0.00 N ATOM 913 CA GLY A 59 -13.483 -11.383 15.451 1.00 0.00 C ATOM 914 C GLY A 59 -14.351 -10.776 14.349 1.00 0.00 C ATOM 915 O GLY A 59 -13.948 -10.845 13.199 1.00 0.00 O ATOM 916 OXT GLY A 59 -15.404 -10.251 14.672 1.00 0.00 O ATOM 0 H GLY A 59 -11.885 -10.996 14.092 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -13.786 -12.412 15.642 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -13.621 -10.832 16.382 1.00 0.00 H new TER 920 GLY A 59