USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 409 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 1 PHE N :NH3+ -158:sc= -6.98! (180deg=-0.319) USER MOD Set 1.2: A 4 GLN : amide:sc= -6.02! C(o=-13!,f=-3.4!) USER MOD Single : A 3 ASN : amide:sc= -1.06 K(o=-1.1,f=-4.2!) USER MOD Single : A 5 HIS : no HD1:sc= 0.0821 K(o=0.082,f=-3.6!) USER MOD Single : A 9 SER OG : rot 180:sc= 0.00623 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 -178:sc= -6.96! USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.0468 USER MOD Single : A 41 GLN : amide:sc= -0.181 K(o=-0.18,f=-0.73) USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0.0414 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.622 K(o=-0.62,f=-2.3!) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 55 TYR OH : rot 102:sc= 0.266 USER MOD Single : A 57 ASN : amide:sc= -1.79! C(o=-1.8!,f=-3!) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 -5.631 -12.509 2.753 1.00 0.00 N ATOM 2 CA PHE A 1 -5.406 -11.687 1.531 1.00 0.00 C ATOM 3 C PHE A 1 -6.280 -12.240 0.401 1.00 0.00 C ATOM 4 O PHE A 1 -5.926 -12.179 -0.760 1.00 0.00 O ATOM 5 CB PHE A 1 -3.924 -11.787 1.137 1.00 0.00 C ATOM 6 CG PHE A 1 -3.474 -10.684 0.205 1.00 0.00 C ATOM 7 CD1 PHE A 1 -4.371 -9.810 -0.425 1.00 0.00 C ATOM 8 CD2 PHE A 1 -2.104 -10.548 -0.026 1.00 0.00 C ATOM 9 CE1 PHE A 1 -3.887 -8.819 -1.271 1.00 0.00 C ATOM 10 CE2 PHE A 1 -1.625 -9.554 -0.870 1.00 0.00 C ATOM 11 CZ PHE A 1 -2.512 -8.689 -1.495 1.00 0.00 C ATOM 0 H1 PHE A 1 -5.362 -11.960 3.595 1.00 0.00 H new ATOM 0 H2 PHE A 1 -6.636 -12.770 2.816 1.00 0.00 H new ATOM 0 H3 PHE A 1 -5.052 -13.371 2.703 1.00 0.00 H new ATOM 0 HA PHE A 1 -5.665 -10.645 1.716 1.00 0.00 H new ATOM 0 HB2 PHE A 1 -3.313 -11.761 2.040 1.00 0.00 H new ATOM 0 HB3 PHE A 1 -3.747 -12.751 0.659 1.00 0.00 H new ATOM 0 HD1 PHE A 1 -5.433 -9.906 -0.254 1.00 0.00 H new ATOM 0 HD2 PHE A 1 -1.410 -11.221 0.456 1.00 0.00 H new ATOM 0 HE1 PHE A 1 -4.576 -8.145 -1.758 1.00 0.00 H new ATOM 0 HE2 PHE A 1 -0.563 -9.455 -1.040 1.00 0.00 H new ATOM 0 HZ PHE A 1 -2.142 -7.917 -2.153 1.00 0.00 H new ATOM 23 N VAL A 2 -7.410 -12.806 0.740 1.00 0.00 N ATOM 24 CA VAL A 2 -8.309 -13.401 -0.298 1.00 0.00 C ATOM 25 C VAL A 2 -9.485 -12.460 -0.608 1.00 0.00 C ATOM 26 O VAL A 2 -9.400 -11.605 -1.467 1.00 0.00 O ATOM 27 CB VAL A 2 -8.850 -14.734 0.254 1.00 0.00 C ATOM 28 CG1 VAL A 2 -7.853 -15.862 -0.032 1.00 0.00 C ATOM 29 CG2 VAL A 2 -9.055 -14.614 1.774 1.00 0.00 C ATOM 0 H VAL A 2 -7.752 -12.883 1.698 1.00 0.00 H new ATOM 0 HA VAL A 2 -7.750 -13.558 -1.221 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.800 -14.960 -0.231 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -8.243 -16.801 0.361 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -7.705 -15.953 -1.108 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -6.900 -15.636 0.447 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -9.438 -15.557 2.165 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -8.103 -14.382 2.252 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -9.769 -13.818 1.983 1.00 0.00 H new ATOM 39 N ASN A 3 -10.586 -12.628 0.081 1.00 0.00 N ATOM 40 CA ASN A 3 -11.790 -11.770 -0.165 1.00 0.00 C ATOM 41 C ASN A 3 -11.884 -10.690 0.910 1.00 0.00 C ATOM 42 O ASN A 3 -12.951 -10.199 1.218 1.00 0.00 O ATOM 43 CB ASN A 3 -13.053 -12.634 -0.126 1.00 0.00 C ATOM 44 CG ASN A 3 -12.867 -13.856 -1.024 1.00 0.00 C ATOM 45 OD1 ASN A 3 -12.053 -14.712 -0.746 1.00 0.00 O ATOM 46 ND2 ASN A 3 -13.598 -13.978 -2.094 1.00 0.00 N ATOM 0 H ASN A 3 -10.705 -13.330 0.811 1.00 0.00 H new ATOM 0 HA ASN A 3 -11.699 -11.300 -1.144 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -13.258 -12.950 0.897 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -13.913 -12.053 -0.459 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -13.486 -14.792 -2.698 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -14.283 -13.259 -2.329 1.00 0.00 H new ATOM 53 N GLN A 4 -10.778 -10.324 1.488 1.00 0.00 N ATOM 54 CA GLN A 4 -10.789 -9.280 2.554 1.00 0.00 C ATOM 55 C GLN A 4 -10.461 -7.916 1.937 1.00 0.00 C ATOM 56 O GLN A 4 -9.924 -7.822 0.851 1.00 0.00 O ATOM 57 CB GLN A 4 -9.752 -9.641 3.633 1.00 0.00 C ATOM 58 CG GLN A 4 -8.594 -10.432 3.010 1.00 0.00 C ATOM 59 CD GLN A 4 -7.554 -10.752 4.083 1.00 0.00 C ATOM 60 OE1 GLN A 4 -6.910 -9.866 4.609 1.00 0.00 O ATOM 61 NE2 GLN A 4 -7.365 -11.996 4.432 1.00 0.00 N ATOM 0 H GLN A 4 -9.858 -10.705 1.268 1.00 0.00 H new ATOM 0 HA GLN A 4 -11.776 -9.231 3.013 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -9.372 -8.733 4.101 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -10.224 -10.231 4.419 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -8.968 -11.354 2.566 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -8.136 -9.854 2.207 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -7.907 -12.738 3.989 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -6.676 -12.226 5.148 1.00 0.00 H new ATOM 70 N HIS A 5 -10.799 -6.859 2.627 1.00 0.00 N ATOM 71 CA HIS A 5 -10.535 -5.486 2.101 1.00 0.00 C ATOM 72 C HIS A 5 -9.219 -4.947 2.673 1.00 0.00 C ATOM 73 O HIS A 5 -8.934 -5.081 3.846 1.00 0.00 O ATOM 74 CB HIS A 5 -11.690 -4.562 2.515 1.00 0.00 C ATOM 75 CG HIS A 5 -12.170 -4.943 3.889 1.00 0.00 C ATOM 76 ND1 HIS A 5 -12.960 -6.064 4.114 1.00 0.00 N ATOM 77 CD2 HIS A 5 -11.980 -4.364 5.120 1.00 0.00 C ATOM 78 CE1 HIS A 5 -13.213 -6.123 5.436 1.00 0.00 C ATOM 79 NE2 HIS A 5 -12.638 -5.112 6.088 1.00 0.00 N ATOM 0 H HIS A 5 -11.251 -6.888 3.541 1.00 0.00 H new ATOM 0 HA HIS A 5 -10.458 -5.523 1.014 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -11.359 -3.523 2.509 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -12.507 -4.640 1.798 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -11.408 -3.467 5.306 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -13.807 -6.892 5.908 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -12.674 -4.926 7.090 1.00 0.00 H new ATOM 87 N LEU A 6 -8.423 -4.331 1.841 1.00 0.00 N ATOM 88 CA LEU A 6 -7.121 -3.762 2.304 1.00 0.00 C ATOM 89 C LEU A 6 -7.302 -2.261 2.560 1.00 0.00 C ATOM 90 O LEU A 6 -7.894 -1.555 1.771 1.00 0.00 O ATOM 91 CB LEU A 6 -6.066 -3.953 1.196 1.00 0.00 C ATOM 92 CG LEU A 6 -5.298 -5.299 1.320 1.00 0.00 C ATOM 93 CD1 LEU A 6 -6.153 -6.415 1.940 1.00 0.00 C ATOM 94 CD2 LEU A 6 -4.852 -5.745 -0.077 1.00 0.00 C ATOM 0 H LEU A 6 -8.620 -4.196 0.849 1.00 0.00 H new ATOM 0 HA LEU A 6 -6.798 -4.264 3.216 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -6.555 -3.908 0.223 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.354 -3.129 1.233 1.00 0.00 H new ATOM 0 HG LEU A 6 -4.446 -5.129 1.979 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.566 -7.331 2.002 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -6.469 -6.118 2.940 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.031 -6.588 1.318 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -4.312 -6.689 -0.002 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -5.727 -5.877 -0.713 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -4.200 -4.987 -0.510 1.00 0.00 H new ATOM 106 N CYS A 7 -6.776 -1.767 3.646 1.00 0.00 N ATOM 107 CA CYS A 7 -6.899 -0.311 3.939 1.00 0.00 C ATOM 108 C CYS A 7 -5.680 0.146 4.750 1.00 0.00 C ATOM 109 O CYS A 7 -5.377 -0.392 5.795 1.00 0.00 O ATOM 110 CB CYS A 7 -8.195 -0.065 4.728 1.00 0.00 C ATOM 111 SG CYS A 7 -8.898 1.539 4.258 1.00 0.00 S ATOM 0 H CYS A 7 -6.266 -2.309 4.344 1.00 0.00 H new ATOM 0 HA CYS A 7 -6.936 0.259 3.011 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -8.912 -0.861 4.526 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -7.990 -0.084 5.798 1.00 0.00 H new ATOM 116 N GLY A 8 -4.984 1.140 4.275 1.00 0.00 N ATOM 117 CA GLY A 8 -3.786 1.634 5.015 1.00 0.00 C ATOM 118 C GLY A 8 -2.644 0.616 4.908 1.00 0.00 C ATOM 119 O GLY A 8 -2.496 -0.066 3.913 1.00 0.00 O ATOM 0 H GLY A 8 -5.191 1.633 3.406 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -3.468 2.594 4.608 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -4.039 1.800 6.062 1.00 0.00 H new ATOM 123 N SER A 9 -1.833 0.517 5.928 1.00 0.00 N ATOM 124 CA SER A 9 -0.691 -0.445 5.899 1.00 0.00 C ATOM 125 C SER A 9 -1.160 -1.806 5.382 1.00 0.00 C ATOM 126 O SER A 9 -0.419 -2.519 4.734 1.00 0.00 O ATOM 127 CB SER A 9 -0.131 -0.606 7.311 1.00 0.00 C ATOM 128 OG SER A 9 0.103 0.679 7.872 1.00 0.00 O ATOM 0 H SER A 9 -1.913 1.064 6.785 1.00 0.00 H new ATOM 0 HA SER A 9 0.082 -0.060 5.234 1.00 0.00 H new ATOM 0 HB2 SER A 9 -0.832 -1.164 7.931 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.796 -1.178 7.284 1.00 0.00 H new ATOM 0 HG SER A 9 0.461 0.580 8.779 1.00 0.00 H new ATOM 134 N ASP A 10 -2.382 -2.178 5.655 1.00 0.00 N ATOM 135 CA ASP A 10 -2.883 -3.495 5.169 1.00 0.00 C ATOM 136 C ASP A 10 -2.549 -3.630 3.681 1.00 0.00 C ATOM 137 O ASP A 10 -1.995 -4.619 3.243 1.00 0.00 O ATOM 138 CB ASP A 10 -4.405 -3.561 5.376 1.00 0.00 C ATOM 139 CG ASP A 10 -4.719 -4.028 6.801 1.00 0.00 C ATOM 140 OD1 ASP A 10 -4.401 -3.298 7.726 1.00 0.00 O ATOM 141 OD2 ASP A 10 -5.271 -5.106 6.942 1.00 0.00 O ATOM 0 H ASP A 10 -3.053 -1.628 6.192 1.00 0.00 H new ATOM 0 HA ASP A 10 -2.412 -4.308 5.721 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -4.847 -2.580 5.200 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -4.849 -4.246 4.654 1.00 0.00 H new ATOM 146 N LEU A 11 -2.878 -2.636 2.905 1.00 0.00 N ATOM 147 CA LEU A 11 -2.578 -2.694 1.448 1.00 0.00 C ATOM 148 C LEU A 11 -1.075 -2.903 1.244 1.00 0.00 C ATOM 149 O LEU A 11 -0.654 -3.785 0.524 1.00 0.00 O ATOM 150 CB LEU A 11 -3.012 -1.373 0.785 1.00 0.00 C ATOM 151 CG LEU A 11 -2.537 -1.325 -0.674 1.00 0.00 C ATOM 152 CD1 LEU A 11 -2.985 -2.576 -1.414 1.00 0.00 C ATOM 153 CD2 LEU A 11 -3.139 -0.106 -1.379 1.00 0.00 C ATOM 0 H LEU A 11 -3.343 -1.784 3.218 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.122 -3.523 0.995 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.097 -1.279 0.824 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.598 -0.529 1.337 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.449 -1.262 -0.678 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.642 -2.530 -2.448 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.562 -3.456 -0.930 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.073 -2.640 -1.395 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.797 -0.079 -2.414 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.227 -0.174 -1.358 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.822 0.803 -0.868 1.00 0.00 H new ATOM 165 N VAL A 12 -0.261 -2.089 1.863 1.00 0.00 N ATOM 166 CA VAL A 12 1.214 -2.234 1.691 1.00 0.00 C ATOM 167 C VAL A 12 1.626 -3.692 1.901 1.00 0.00 C ATOM 168 O VAL A 12 2.078 -4.355 0.989 1.00 0.00 O ATOM 169 CB VAL A 12 1.941 -1.361 2.718 1.00 0.00 C ATOM 170 CG1 VAL A 12 3.438 -1.323 2.395 1.00 0.00 C ATOM 171 CG2 VAL A 12 1.379 0.061 2.670 1.00 0.00 C ATOM 0 H VAL A 12 -0.554 -1.331 2.480 1.00 0.00 H new ATOM 0 HA VAL A 12 1.481 -1.921 0.682 1.00 0.00 H new ATOM 0 HB VAL A 12 1.794 -1.780 3.713 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.953 -0.701 3.127 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.843 -2.334 2.429 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.585 -0.907 1.398 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.897 0.682 3.401 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.525 0.476 1.673 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.314 0.039 2.902 1.00 0.00 H new ATOM 181 N GLU A 13 1.484 -4.194 3.097 1.00 0.00 N ATOM 182 CA GLU A 13 1.878 -5.607 3.362 1.00 0.00 C ATOM 183 C GLU A 13 1.303 -6.506 2.273 1.00 0.00 C ATOM 184 O GLU A 13 1.854 -7.537 1.954 1.00 0.00 O ATOM 185 CB GLU A 13 1.334 -6.045 4.720 1.00 0.00 C ATOM 186 CG GLU A 13 1.728 -5.022 5.787 1.00 0.00 C ATOM 187 CD GLU A 13 1.396 -5.577 7.173 1.00 0.00 C ATOM 188 OE1 GLU A 13 0.453 -6.345 7.272 1.00 0.00 O ATOM 189 OE2 GLU A 13 2.090 -5.225 8.113 1.00 0.00 O ATOM 0 H GLU A 13 1.113 -3.688 3.901 1.00 0.00 H new ATOM 0 HA GLU A 13 2.965 -5.685 3.365 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.249 -6.138 4.675 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.728 -7.027 4.981 1.00 0.00 H new ATOM 0 HG2 GLU A 13 2.793 -4.800 5.718 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.196 -4.085 5.622 1.00 0.00 H new ATOM 196 N ALA A 14 0.200 -6.120 1.697 1.00 0.00 N ATOM 197 CA ALA A 14 -0.406 -6.953 0.626 1.00 0.00 C ATOM 198 C ALA A 14 0.348 -6.713 -0.687 1.00 0.00 C ATOM 199 O ALA A 14 0.836 -7.639 -1.301 1.00 0.00 O ATOM 200 CB ALA A 14 -1.900 -6.597 0.492 1.00 0.00 C ATOM 0 H ALA A 14 -0.307 -5.264 1.922 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.328 -8.011 0.875 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.350 -7.205 -0.293 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -2.407 -6.791 1.437 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.001 -5.542 0.236 1.00 0.00 H new ATOM 206 N LEU A 15 0.466 -5.490 -1.131 1.00 0.00 N ATOM 207 CA LEU A 15 1.206 -5.261 -2.403 1.00 0.00 C ATOM 208 C LEU A 15 2.569 -5.957 -2.313 1.00 0.00 C ATOM 209 O LEU A 15 3.083 -6.469 -3.286 1.00 0.00 O ATOM 210 CB LEU A 15 1.434 -3.762 -2.650 1.00 0.00 C ATOM 211 CG LEU A 15 0.143 -3.084 -3.162 1.00 0.00 C ATOM 212 CD1 LEU A 15 0.180 -1.578 -2.858 1.00 0.00 C ATOM 213 CD2 LEU A 15 0.021 -3.257 -4.682 1.00 0.00 C ATOM 0 H LEU A 15 0.090 -4.657 -0.679 1.00 0.00 H new ATOM 0 HA LEU A 15 0.615 -5.664 -3.225 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.759 -3.283 -1.727 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.234 -3.627 -3.378 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.705 -3.550 -2.660 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.734 -1.111 -3.223 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.260 -1.426 -1.782 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.040 -1.128 -3.353 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.892 -2.775 -5.031 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.882 -2.800 -5.170 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.013 -4.319 -4.926 1.00 0.00 H new ATOM 225 N TYR A 16 3.162 -5.964 -1.147 1.00 0.00 N ATOM 226 CA TYR A 16 4.494 -6.611 -0.994 1.00 0.00 C ATOM 227 C TYR A 16 4.479 -8.018 -1.605 1.00 0.00 C ATOM 228 O TYR A 16 5.338 -8.358 -2.393 1.00 0.00 O ATOM 229 CB TYR A 16 4.861 -6.675 0.489 1.00 0.00 C ATOM 230 CG TYR A 16 6.176 -7.402 0.652 1.00 0.00 C ATOM 231 CD1 TYR A 16 7.346 -6.868 0.096 1.00 0.00 C ATOM 232 CD2 TYR A 16 6.226 -8.608 1.355 1.00 0.00 C ATOM 233 CE1 TYR A 16 8.564 -7.543 0.246 1.00 0.00 C ATOM 234 CE2 TYR A 16 7.442 -9.284 1.505 1.00 0.00 C ATOM 235 CZ TYR A 16 8.612 -8.751 0.951 1.00 0.00 C ATOM 236 OH TYR A 16 9.811 -9.417 1.098 1.00 0.00 O ATOM 0 H TYR A 16 2.780 -5.550 -0.297 1.00 0.00 H new ATOM 0 HA TYR A 16 5.243 -6.020 -1.522 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.937 -5.668 0.900 1.00 0.00 H new ATOM 0 HB3 TYR A 16 4.078 -7.189 1.047 1.00 0.00 H new ATOM 0 HD1 TYR A 16 7.309 -5.936 -0.448 1.00 0.00 H new ATOM 0 HD2 TYR A 16 5.324 -9.020 1.784 1.00 0.00 H new ATOM 0 HE1 TYR A 16 9.466 -7.131 -0.182 1.00 0.00 H new ATOM 0 HE2 TYR A 16 7.478 -10.217 2.048 1.00 0.00 H new ATOM 0 HH TYR A 16 9.668 -10.238 1.614 1.00 0.00 H new ATOM 246 N LEU A 17 3.516 -8.840 -1.273 1.00 0.00 N ATOM 247 CA LEU A 17 3.487 -10.207 -1.876 1.00 0.00 C ATOM 248 C LEU A 17 3.191 -10.075 -3.366 1.00 0.00 C ATOM 249 O LEU A 17 3.869 -10.632 -4.206 1.00 0.00 O ATOM 250 CB LEU A 17 2.373 -11.060 -1.261 1.00 0.00 C ATOM 251 CG LEU A 17 2.566 -11.229 0.253 1.00 0.00 C ATOM 252 CD1 LEU A 17 2.248 -9.913 0.985 1.00 0.00 C ATOM 253 CD2 LEU A 17 1.627 -12.341 0.751 1.00 0.00 C ATOM 0 H LEU A 17 2.760 -8.629 -0.621 1.00 0.00 H new ATOM 0 HA LEU A 17 4.451 -10.682 -1.692 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.407 -10.595 -1.456 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.357 -12.040 -1.739 1.00 0.00 H new ATOM 0 HG LEU A 17 3.603 -11.495 0.458 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.390 -10.050 2.057 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.915 -9.128 0.628 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.214 -9.628 0.789 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.755 -12.471 1.826 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.594 -12.067 0.539 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.866 -13.275 0.242 1.00 0.00 H new ATOM 265 N VAL A 18 2.160 -9.346 -3.686 1.00 0.00 N ATOM 266 CA VAL A 18 1.772 -9.167 -5.109 1.00 0.00 C ATOM 267 C VAL A 18 2.978 -8.721 -5.936 1.00 0.00 C ATOM 268 O VAL A 18 3.366 -9.365 -6.891 1.00 0.00 O ATOM 269 CB VAL A 18 0.688 -8.092 -5.195 1.00 0.00 C ATOM 270 CG1 VAL A 18 0.227 -7.945 -6.627 1.00 0.00 C ATOM 271 CG2 VAL A 18 -0.509 -8.474 -4.338 1.00 0.00 C ATOM 0 H VAL A 18 1.564 -8.862 -3.014 1.00 0.00 H new ATOM 0 HA VAL A 18 1.402 -10.115 -5.500 1.00 0.00 H new ATOM 0 HB VAL A 18 1.108 -7.152 -4.836 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.545 -7.178 -6.684 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.071 -7.657 -7.253 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.178 -8.894 -6.978 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.271 -7.698 -4.411 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.920 -9.421 -4.689 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.195 -8.578 -3.299 1.00 0.00 H new ATOM 281 N CYS A 19 3.556 -7.610 -5.588 1.00 0.00 N ATOM 282 CA CYS A 19 4.720 -7.095 -6.359 1.00 0.00 C ATOM 283 C CYS A 19 5.975 -7.889 -6.000 1.00 0.00 C ATOM 284 O CYS A 19 6.917 -7.963 -6.763 1.00 0.00 O ATOM 285 CB CYS A 19 4.924 -5.625 -6.010 1.00 0.00 C ATOM 286 SG CYS A 19 3.340 -4.754 -6.123 1.00 0.00 S ATOM 0 H CYS A 19 3.272 -7.031 -4.798 1.00 0.00 H new ATOM 0 HA CYS A 19 4.532 -7.202 -7.427 1.00 0.00 H new ATOM 0 HB2 CYS A 19 5.332 -5.532 -5.003 1.00 0.00 H new ATOM 0 HB3 CYS A 19 5.648 -5.176 -6.690 1.00 0.00 H new ATOM 291 N GLY A 20 5.988 -8.493 -4.850 1.00 0.00 N ATOM 292 CA GLY A 20 7.172 -9.297 -4.440 1.00 0.00 C ATOM 293 C GLY A 20 8.459 -8.488 -4.623 1.00 0.00 C ATOM 294 O GLY A 20 8.575 -7.370 -4.161 1.00 0.00 O ATOM 0 H GLY A 20 5.227 -8.466 -4.171 1.00 0.00 H new ATOM 0 HA2 GLY A 20 7.071 -9.599 -3.398 1.00 0.00 H new ATOM 0 HA3 GLY A 20 7.222 -10.210 -5.033 1.00 0.00 H new ATOM 298 N GLU A 21 9.433 -9.058 -5.279 1.00 0.00 N ATOM 299 CA GLU A 21 10.729 -8.347 -5.483 1.00 0.00 C ATOM 300 C GLU A 21 10.575 -7.236 -6.522 1.00 0.00 C ATOM 301 O GLU A 21 11.408 -6.357 -6.625 1.00 0.00 O ATOM 302 CB GLU A 21 11.774 -9.346 -5.978 1.00 0.00 C ATOM 303 CG GLU A 21 12.081 -10.352 -4.868 1.00 0.00 C ATOM 304 CD GLU A 21 13.119 -11.361 -5.363 1.00 0.00 C ATOM 305 OE1 GLU A 21 12.784 -12.147 -6.233 1.00 0.00 O ATOM 306 OE2 GLU A 21 14.232 -11.331 -4.863 1.00 0.00 O ATOM 0 H GLU A 21 9.387 -9.992 -5.685 1.00 0.00 H new ATOM 0 HA GLU A 21 11.041 -7.906 -4.536 1.00 0.00 H new ATOM 0 HB2 GLU A 21 11.406 -9.865 -6.863 1.00 0.00 H new ATOM 0 HB3 GLU A 21 12.684 -8.822 -6.271 1.00 0.00 H new ATOM 0 HG2 GLU A 21 12.456 -9.833 -3.986 1.00 0.00 H new ATOM 0 HG3 GLU A 21 11.169 -10.870 -4.570 1.00 0.00 H new ATOM 313 N ARG A 22 9.531 -7.264 -7.297 1.00 0.00 N ATOM 314 CA ARG A 22 9.357 -6.202 -8.326 1.00 0.00 C ATOM 315 C ARG A 22 9.410 -4.833 -7.656 1.00 0.00 C ATOM 316 O ARG A 22 9.778 -3.847 -8.263 1.00 0.00 O ATOM 317 CB ARG A 22 8.000 -6.354 -9.015 1.00 0.00 C ATOM 318 CG ARG A 22 7.863 -7.755 -9.610 1.00 0.00 C ATOM 319 CD ARG A 22 6.504 -7.880 -10.308 1.00 0.00 C ATOM 320 NE ARG A 22 6.571 -7.225 -11.645 1.00 0.00 N ATOM 321 CZ ARG A 22 5.640 -7.454 -12.532 1.00 0.00 C ATOM 322 NH1 ARG A 22 4.652 -8.259 -12.249 1.00 0.00 N ATOM 323 NH2 ARG A 22 5.698 -6.880 -13.702 1.00 0.00 N ATOM 0 H ARG A 22 8.795 -7.969 -7.265 1.00 0.00 H new ATOM 0 HA ARG A 22 10.155 -6.294 -9.063 1.00 0.00 H new ATOM 0 HB2 ARG A 22 7.198 -6.176 -8.298 1.00 0.00 H new ATOM 0 HB3 ARG A 22 7.897 -5.606 -9.801 1.00 0.00 H new ATOM 0 HG2 ARG A 22 8.668 -7.941 -10.321 1.00 0.00 H new ATOM 0 HG3 ARG A 22 7.952 -8.506 -8.825 1.00 0.00 H new ATOM 0 HD2 ARG A 22 6.235 -8.931 -10.419 1.00 0.00 H new ATOM 0 HD3 ARG A 22 5.727 -7.414 -9.701 1.00 0.00 H new ATOM 0 HE ARG A 22 7.344 -6.598 -11.867 1.00 0.00 H new ATOM 0 HH11 ARG A 22 4.607 -8.709 -11.335 1.00 0.00 H new ATOM 0 HH12 ARG A 22 3.925 -8.438 -12.942 1.00 0.00 H new ATOM 0 HH21 ARG A 22 6.471 -6.252 -13.924 1.00 0.00 H new ATOM 0 HH22 ARG A 22 4.971 -7.059 -14.395 1.00 0.00 H new ATOM 337 N GLY A 23 9.022 -4.757 -6.414 1.00 0.00 N ATOM 338 CA GLY A 23 9.026 -3.444 -5.720 1.00 0.00 C ATOM 339 C GLY A 23 7.828 -2.646 -6.225 1.00 0.00 C ATOM 340 O GLY A 23 7.326 -2.895 -7.303 1.00 0.00 O ATOM 0 H GLY A 23 8.703 -5.546 -5.852 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.965 -3.582 -4.641 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.954 -2.908 -5.921 1.00 0.00 H new ATOM 344 N PHE A 24 7.349 -1.701 -5.468 1.00 0.00 N ATOM 345 CA PHE A 24 6.173 -0.921 -5.933 1.00 0.00 C ATOM 346 C PHE A 24 6.133 0.438 -5.250 1.00 0.00 C ATOM 347 O PHE A 24 6.899 0.727 -4.352 1.00 0.00 O ATOM 348 CB PHE A 24 4.897 -1.690 -5.603 1.00 0.00 C ATOM 349 CG PHE A 24 4.708 -1.758 -4.104 1.00 0.00 C ATOM 350 CD1 PHE A 24 5.268 -2.815 -3.379 1.00 0.00 C ATOM 351 CD2 PHE A 24 3.966 -0.769 -3.439 1.00 0.00 C ATOM 352 CE1 PHE A 24 5.086 -2.888 -1.993 1.00 0.00 C ATOM 353 CE2 PHE A 24 3.787 -0.844 -2.052 1.00 0.00 C ATOM 354 CZ PHE A 24 4.345 -1.903 -1.332 1.00 0.00 C ATOM 0 H PHE A 24 7.718 -1.437 -4.554 1.00 0.00 H new ATOM 0 HA PHE A 24 6.251 -0.772 -7.010 1.00 0.00 H new ATOM 0 HB2 PHE A 24 4.039 -1.202 -6.064 1.00 0.00 H new ATOM 0 HB3 PHE A 24 4.952 -2.697 -6.017 1.00 0.00 H new ATOM 0 HD1 PHE A 24 5.841 -3.575 -3.889 1.00 0.00 H new ATOM 0 HD2 PHE A 24 3.534 0.049 -3.996 1.00 0.00 H new ATOM 0 HE1 PHE A 24 5.518 -3.705 -1.434 1.00 0.00 H new ATOM 0 HE2 PHE A 24 3.218 -0.083 -1.539 1.00 0.00 H new ATOM 0 HZ PHE A 24 4.204 -1.961 -0.263 1.00 0.00 H new ATOM 364 N PHE A 25 5.231 1.269 -5.686 1.00 0.00 N ATOM 365 CA PHE A 25 5.086 2.633 -5.104 1.00 0.00 C ATOM 366 C PHE A 25 3.714 2.762 -4.449 1.00 0.00 C ATOM 367 O PHE A 25 2.697 2.518 -5.066 1.00 0.00 O ATOM 368 CB PHE A 25 5.194 3.667 -6.229 1.00 0.00 C ATOM 369 CG PHE A 25 4.251 3.287 -7.354 1.00 0.00 C ATOM 370 CD1 PHE A 25 2.922 3.739 -7.345 1.00 0.00 C ATOM 371 CD2 PHE A 25 4.706 2.479 -8.403 1.00 0.00 C ATOM 372 CE1 PHE A 25 2.051 3.381 -8.385 1.00 0.00 C ATOM 373 CE2 PHE A 25 3.836 2.122 -9.442 1.00 0.00 C ATOM 374 CZ PHE A 25 2.510 2.573 -9.432 1.00 0.00 C ATOM 0 H PHE A 25 4.574 1.057 -6.437 1.00 0.00 H new ATOM 0 HA PHE A 25 5.867 2.799 -4.362 1.00 0.00 H new ATOM 0 HB2 PHE A 25 4.946 4.659 -5.851 1.00 0.00 H new ATOM 0 HB3 PHE A 25 6.218 3.713 -6.598 1.00 0.00 H new ATOM 0 HD1 PHE A 25 2.570 4.363 -6.537 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.728 2.131 -8.411 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.028 3.728 -8.378 1.00 0.00 H new ATOM 0 HE2 PHE A 25 4.188 1.499 -10.251 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.841 2.297 -10.233 1.00 0.00 H new ATOM 384 N TYR A 26 3.663 3.168 -3.213 1.00 0.00 N ATOM 385 CA TYR A 26 2.338 3.335 -2.567 1.00 0.00 C ATOM 386 C TYR A 26 1.647 4.499 -3.263 1.00 0.00 C ATOM 387 O TYR A 26 2.240 5.174 -4.081 1.00 0.00 O ATOM 388 CB TYR A 26 2.490 3.631 -1.068 1.00 0.00 C ATOM 389 CG TYR A 26 1.189 3.303 -0.362 1.00 0.00 C ATOM 390 CD1 TYR A 26 0.757 1.974 -0.291 1.00 0.00 C ATOM 391 CD2 TYR A 26 0.413 4.320 0.216 1.00 0.00 C ATOM 392 CE1 TYR A 26 -0.445 1.664 0.358 1.00 0.00 C ATOM 393 CE2 TYR A 26 -0.787 4.004 0.865 1.00 0.00 C ATOM 394 CZ TYR A 26 -1.214 2.677 0.935 1.00 0.00 C ATOM 395 OH TYR A 26 -2.398 2.366 1.573 1.00 0.00 O ATOM 0 H TYR A 26 4.471 3.388 -2.630 1.00 0.00 H new ATOM 0 HA TYR A 26 1.754 2.419 -2.658 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.304 3.040 -0.649 1.00 0.00 H new ATOM 0 HB3 TYR A 26 2.746 4.680 -0.916 1.00 0.00 H new ATOM 0 HD1 TYR A 26 1.350 1.188 -0.736 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.742 5.347 0.160 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -0.778 0.638 0.412 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.382 4.787 1.311 1.00 0.00 H new ATOM 0 HH TYR A 26 -2.808 3.186 1.919 1.00 0.00 H new ATOM 405 N THR A 27 0.407 4.744 -2.979 1.00 0.00 N ATOM 406 CA THR A 27 -0.270 5.864 -3.672 1.00 0.00 C ATOM 407 C THR A 27 0.430 7.182 -3.313 1.00 0.00 C ATOM 408 O THR A 27 1.348 7.206 -2.518 1.00 0.00 O ATOM 409 CB THR A 27 -1.743 5.901 -3.272 1.00 0.00 C ATOM 410 OG1 THR A 27 -2.373 6.951 -3.967 1.00 0.00 O ATOM 411 CG2 THR A 27 -1.893 6.110 -1.762 1.00 0.00 C ATOM 0 H THR A 27 -0.161 4.227 -2.308 1.00 0.00 H new ATOM 0 HA THR A 27 -0.212 5.722 -4.751 1.00 0.00 H new ATOM 0 HB THR A 27 -2.208 4.949 -3.527 1.00 0.00 H new ATOM 0 HG1 THR A 27 -3.313 7.005 -3.696 1.00 0.00 H new ATOM 0 HG21 THR A 27 -2.951 6.133 -1.501 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.406 5.292 -1.231 1.00 0.00 H new ATOM 0 HG23 THR A 27 -1.429 7.054 -1.477 1.00 0.00 H new ATOM 419 N ASP A 28 0.033 8.266 -3.926 1.00 0.00 N ATOM 420 CA ASP A 28 0.706 9.575 -3.658 1.00 0.00 C ATOM 421 C ASP A 28 0.949 9.758 -2.131 1.00 0.00 C ATOM 422 O ASP A 28 0.189 9.243 -1.336 1.00 0.00 O ATOM 423 CB ASP A 28 -0.186 10.718 -4.205 1.00 0.00 C ATOM 424 CG ASP A 28 0.612 11.620 -5.159 1.00 0.00 C ATOM 425 OD1 ASP A 28 1.354 11.085 -5.966 1.00 0.00 O ATOM 426 OD2 ASP A 28 0.464 12.827 -5.063 1.00 0.00 O ATOM 0 H ASP A 28 -0.730 8.303 -4.602 1.00 0.00 H new ATOM 0 HA ASP A 28 1.674 9.597 -4.158 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.045 10.297 -4.728 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -0.575 11.310 -3.377 1.00 0.00 H new ATOM 431 N PRO A 29 1.993 10.491 -1.757 1.00 0.00 N ATOM 432 CA PRO A 29 2.309 10.743 -0.329 1.00 0.00 C ATOM 433 C PRO A 29 1.378 11.827 0.244 1.00 0.00 C ATOM 434 O PRO A 29 1.413 12.126 1.422 1.00 0.00 O ATOM 435 CB PRO A 29 3.756 11.273 -0.360 1.00 0.00 C ATOM 436 CG PRO A 29 3.995 11.806 -1.793 1.00 0.00 C ATOM 437 CD PRO A 29 2.956 11.119 -2.699 1.00 0.00 C ATOM 0 HA PRO A 29 2.186 9.854 0.289 1.00 0.00 H new ATOM 0 HB2 PRO A 29 3.896 12.064 0.377 1.00 0.00 H new ATOM 0 HB3 PRO A 29 4.465 10.482 -0.117 1.00 0.00 H new ATOM 0 HG2 PRO A 29 3.882 12.890 -1.827 1.00 0.00 H new ATOM 0 HG3 PRO A 29 5.008 11.581 -2.126 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.461 11.839 -3.351 1.00 0.00 H new ATOM 0 HD3 PRO A 29 3.423 10.374 -3.343 1.00 0.00 H new ATOM 445 N THR A 30 0.587 12.447 -0.585 1.00 0.00 N ATOM 446 CA THR A 30 -0.299 13.547 -0.098 1.00 0.00 C ATOM 447 C THR A 30 -1.160 13.082 1.080 1.00 0.00 C ATOM 448 O THR A 30 -1.348 13.806 2.038 1.00 0.00 O ATOM 449 CB THR A 30 -1.197 14.004 -1.247 1.00 0.00 C ATOM 450 OG1 THR A 30 -2.107 12.964 -1.578 1.00 0.00 O ATOM 451 CG2 THR A 30 -0.330 14.337 -2.464 1.00 0.00 C ATOM 0 H THR A 30 0.514 12.241 -1.581 1.00 0.00 H new ATOM 0 HA THR A 30 0.322 14.374 0.246 1.00 0.00 H new ATOM 0 HB THR A 30 -1.756 14.890 -0.946 1.00 0.00 H new ATOM 0 HG1 THR A 30 -2.685 13.257 -2.314 1.00 0.00 H new ATOM 0 HG21 THR A 30 -0.967 14.663 -3.286 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.367 15.134 -2.207 1.00 0.00 H new ATOM 0 HG23 THR A 30 0.228 13.451 -2.767 1.00 0.00 H new ATOM 459 N GLY A 31 -1.679 11.892 1.034 1.00 0.00 N ATOM 460 CA GLY A 31 -2.516 11.407 2.172 1.00 0.00 C ATOM 461 C GLY A 31 -3.826 12.204 2.250 1.00 0.00 C ATOM 462 O GLY A 31 -4.765 11.799 2.907 1.00 0.00 O ATOM 0 H GLY A 31 -1.564 11.233 0.264 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.735 10.347 2.045 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.965 11.509 3.107 1.00 0.00 H new ATOM 466 N GLY A 32 -3.903 13.333 1.589 1.00 0.00 N ATOM 467 CA GLY A 32 -5.159 14.150 1.631 1.00 0.00 C ATOM 468 C GLY A 32 -6.017 13.818 0.413 1.00 0.00 C ATOM 469 O GLY A 32 -7.221 13.977 0.418 1.00 0.00 O ATOM 0 H GLY A 32 -3.151 13.725 1.022 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.712 13.942 2.547 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.915 15.212 1.640 1.00 0.00 H new ATOM 473 N GLY A 33 -5.396 13.339 -0.621 1.00 0.00 N ATOM 474 CA GLY A 33 -6.139 12.963 -1.851 1.00 0.00 C ATOM 475 C GLY A 33 -5.177 12.221 -2.783 1.00 0.00 C ATOM 476 O GLY A 33 -4.989 12.623 -3.914 1.00 0.00 O ATOM 0 H GLY A 33 -4.388 13.189 -0.668 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.991 12.330 -1.602 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -6.535 13.852 -2.343 1.00 0.00 H new ATOM 480 N PRO A 34 -4.577 11.163 -2.277 1.00 0.00 N ATOM 481 CA PRO A 34 -3.611 10.367 -3.057 1.00 0.00 C ATOM 482 C PRO A 34 -4.342 9.553 -4.132 1.00 0.00 C ATOM 483 O PRO A 34 -5.540 9.663 -4.301 1.00 0.00 O ATOM 484 CB PRO A 34 -2.980 9.435 -2.009 1.00 0.00 C ATOM 485 CG PRO A 34 -3.975 9.364 -0.835 1.00 0.00 C ATOM 486 CD PRO A 34 -4.801 10.658 -0.897 1.00 0.00 C ATOM 0 HA PRO A 34 -2.873 10.977 -3.578 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -2.802 8.444 -2.427 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -2.015 9.820 -1.678 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -4.617 8.487 -0.921 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -3.450 9.282 0.117 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -5.857 10.466 -0.709 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -4.470 11.379 -0.150 1.00 0.00 H new ATOM 494 N ARG A 35 -3.630 8.719 -4.841 1.00 0.00 N ATOM 495 CA ARG A 35 -4.286 7.882 -5.878 1.00 0.00 C ATOM 496 C ARG A 35 -5.311 6.989 -5.183 1.00 0.00 C ATOM 497 O ARG A 35 -5.032 5.859 -4.834 1.00 0.00 O ATOM 498 CB ARG A 35 -3.230 7.010 -6.582 1.00 0.00 C ATOM 499 CG ARG A 35 -3.744 6.557 -7.955 1.00 0.00 C ATOM 500 CD ARG A 35 -2.746 5.566 -8.580 1.00 0.00 C ATOM 501 NE ARG A 35 -2.816 5.654 -10.074 1.00 0.00 N ATOM 502 CZ ARG A 35 -3.957 5.579 -10.708 1.00 0.00 C ATOM 503 NH1 ARG A 35 -5.047 5.240 -10.075 1.00 0.00 N ATOM 504 NH2 ARG A 35 -3.997 5.789 -11.996 1.00 0.00 N ATOM 0 H ARG A 35 -2.624 8.583 -4.745 1.00 0.00 H new ATOM 0 HA ARG A 35 -4.774 8.511 -6.623 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -2.304 7.573 -6.700 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -2.998 6.140 -5.968 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -4.722 6.087 -7.851 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -3.873 7.420 -8.609 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -1.735 5.790 -8.240 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -2.974 4.551 -8.255 1.00 0.00 H new ATOM 0 HE ARG A 35 -1.955 5.775 -10.608 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -5.013 5.031 -9.077 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -5.933 5.184 -10.578 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.140 6.010 -12.503 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -4.885 5.732 -12.495 1.00 0.00 H new ATOM 518 N ARG A 36 -6.495 7.482 -4.974 1.00 0.00 N ATOM 519 CA ARG A 36 -7.521 6.652 -4.300 1.00 0.00 C ATOM 520 C ARG A 36 -7.743 5.394 -5.137 1.00 0.00 C ATOM 521 O ARG A 36 -8.095 4.351 -4.629 1.00 0.00 O ATOM 522 CB ARG A 36 -8.823 7.450 -4.185 1.00 0.00 C ATOM 523 CG ARG A 36 -9.011 8.301 -5.445 1.00 0.00 C ATOM 524 CD ARG A 36 -10.478 8.722 -5.572 1.00 0.00 C ATOM 525 NE ARG A 36 -10.616 9.721 -6.669 1.00 0.00 N ATOM 526 CZ ARG A 36 -11.796 9.999 -7.153 1.00 0.00 C ATOM 527 NH1 ARG A 36 -12.854 9.405 -6.673 1.00 0.00 N ATOM 528 NH2 ARG A 36 -11.917 10.872 -8.116 1.00 0.00 N ATOM 0 H ARG A 36 -6.795 8.420 -5.240 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.194 6.374 -3.298 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -9.668 6.773 -4.061 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -8.794 8.089 -3.302 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -8.373 9.183 -5.398 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -8.708 7.735 -6.326 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -11.101 7.851 -5.778 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -10.828 9.148 -4.632 1.00 0.00 H new ATOM 0 HE ARG A 36 -9.789 10.187 -7.042 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -12.759 8.724 -5.920 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -13.776 9.622 -7.051 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -11.090 11.337 -8.490 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -12.839 11.089 -8.494 1.00 0.00 H new ATOM 542 N GLY A 37 -7.528 5.496 -6.420 1.00 0.00 N ATOM 543 CA GLY A 37 -7.717 4.323 -7.320 1.00 0.00 C ATOM 544 C GLY A 37 -7.158 3.050 -6.678 1.00 0.00 C ATOM 545 O GLY A 37 -7.554 1.960 -7.029 1.00 0.00 O ATOM 0 H GLY A 37 -7.226 6.351 -6.888 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -8.777 4.192 -7.536 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -7.218 4.505 -8.272 1.00 0.00 H new ATOM 549 N ILE A 38 -6.235 3.168 -5.747 1.00 0.00 N ATOM 550 CA ILE A 38 -5.663 1.941 -5.092 1.00 0.00 C ATOM 551 C ILE A 38 -6.304 1.743 -3.707 1.00 0.00 C ATOM 552 O ILE A 38 -6.799 0.680 -3.388 1.00 0.00 O ATOM 553 CB ILE A 38 -4.107 2.080 -4.990 1.00 0.00 C ATOM 554 CG1 ILE A 38 -3.392 0.733 -5.294 1.00 0.00 C ATOM 555 CG2 ILE A 38 -3.644 2.590 -3.610 1.00 0.00 C ATOM 556 CD1 ILE A 38 -4.128 -0.475 -4.683 1.00 0.00 C ATOM 0 H ILE A 38 -5.855 4.054 -5.414 1.00 0.00 H new ATOM 0 HA ILE A 38 -5.887 1.060 -5.693 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.830 2.820 -5.741 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.316 0.601 -6.373 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -2.374 0.769 -4.905 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.557 2.667 -3.597 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -4.080 3.571 -3.420 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.968 1.893 -2.837 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.588 -1.390 -4.924 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.181 -0.360 -3.600 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -5.137 -0.531 -5.091 1.00 0.00 H new ATOM 568 N VAL A 39 -6.254 2.741 -2.868 1.00 0.00 N ATOM 569 CA VAL A 39 -6.806 2.587 -1.493 1.00 0.00 C ATOM 570 C VAL A 39 -8.316 2.324 -1.513 1.00 0.00 C ATOM 571 O VAL A 39 -8.767 1.289 -1.076 1.00 0.00 O ATOM 572 CB VAL A 39 -6.521 3.854 -0.676 1.00 0.00 C ATOM 573 CG1 VAL A 39 -6.731 3.549 0.810 1.00 0.00 C ATOM 574 CG2 VAL A 39 -5.070 4.318 -0.910 1.00 0.00 C ATOM 0 H VAL A 39 -5.855 3.656 -3.075 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.319 1.726 -1.035 1.00 0.00 H new ATOM 0 HB VAL A 39 -7.199 4.648 -0.990 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.530 4.445 1.397 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.760 3.231 0.974 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.052 2.754 1.118 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.877 5.218 -0.326 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.382 3.531 -0.602 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -4.923 4.534 -1.968 1.00 0.00 H new ATOM 584 N GLU A 40 -9.106 3.252 -1.980 1.00 0.00 N ATOM 585 CA GLU A 40 -10.584 3.031 -1.971 1.00 0.00 C ATOM 586 C GLU A 40 -10.954 1.776 -2.771 1.00 0.00 C ATOM 587 O GLU A 40 -11.805 1.009 -2.368 1.00 0.00 O ATOM 588 CB GLU A 40 -11.302 4.269 -2.536 1.00 0.00 C ATOM 589 CG GLU A 40 -11.276 4.268 -4.072 1.00 0.00 C ATOM 590 CD GLU A 40 -12.407 3.391 -4.622 1.00 0.00 C ATOM 591 OE1 GLU A 40 -13.481 3.408 -4.044 1.00 0.00 O ATOM 592 OE2 GLU A 40 -12.178 2.719 -5.614 1.00 0.00 O ATOM 0 H GLU A 40 -8.798 4.145 -2.364 1.00 0.00 H new ATOM 0 HA GLU A 40 -10.907 2.877 -0.942 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -12.334 4.286 -2.186 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.823 5.174 -2.161 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.382 5.287 -4.445 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -10.314 3.897 -4.426 1.00 0.00 H new ATOM 599 N GLN A 41 -10.336 1.560 -3.897 1.00 0.00 N ATOM 600 CA GLN A 41 -10.678 0.356 -4.705 1.00 0.00 C ATOM 601 C GLN A 41 -10.635 -0.884 -3.817 1.00 0.00 C ATOM 602 O GLN A 41 -11.589 -1.632 -3.726 1.00 0.00 O ATOM 603 CB GLN A 41 -9.670 0.196 -5.848 1.00 0.00 C ATOM 604 CG GLN A 41 -10.168 -0.873 -6.824 1.00 0.00 C ATOM 605 CD GLN A 41 -11.327 -0.319 -7.641 1.00 0.00 C ATOM 606 OE1 GLN A 41 -11.274 0.794 -8.124 1.00 0.00 O ATOM 607 NE2 GLN A 41 -12.381 -1.060 -7.815 1.00 0.00 N ATOM 0 H GLN A 41 -9.613 2.161 -4.292 1.00 0.00 H new ATOM 0 HA GLN A 41 -11.679 0.475 -5.119 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.540 1.145 -6.368 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.695 -0.086 -5.450 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.358 -1.181 -7.485 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -10.487 -1.760 -6.276 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -12.421 -1.994 -7.407 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -13.168 -0.707 -8.359 1.00 0.00 H new ATOM 616 N CYS A 42 -9.527 -1.119 -3.177 1.00 0.00 N ATOM 617 CA CYS A 42 -9.400 -2.321 -2.310 1.00 0.00 C ATOM 618 C CYS A 42 -9.948 -2.050 -0.899 1.00 0.00 C ATOM 619 O CYS A 42 -10.372 -2.960 -0.214 1.00 0.00 O ATOM 620 CB CYS A 42 -7.926 -2.711 -2.229 1.00 0.00 C ATOM 621 SG CYS A 42 -7.314 -3.086 -3.888 1.00 0.00 S ATOM 0 H CYS A 42 -8.698 -0.526 -3.217 1.00 0.00 H new ATOM 0 HA CYS A 42 -9.984 -3.134 -2.742 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -7.347 -1.898 -1.790 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -7.803 -3.577 -1.579 1.00 0.00 H new ATOM 626 N CYS A 43 -9.944 -0.819 -0.446 1.00 0.00 N ATOM 627 CA CYS A 43 -10.467 -0.536 0.929 1.00 0.00 C ATOM 628 C CYS A 43 -11.986 -0.383 0.884 1.00 0.00 C ATOM 629 O CYS A 43 -12.706 -1.026 1.622 1.00 0.00 O ATOM 630 CB CYS A 43 -9.843 0.751 1.483 1.00 0.00 C ATOM 631 SG CYS A 43 -10.513 1.071 3.136 1.00 0.00 S ATOM 0 H CYS A 43 -9.606 -0.006 -0.961 1.00 0.00 H new ATOM 0 HA CYS A 43 -10.202 -1.369 1.580 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -8.758 0.653 1.529 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -10.060 1.589 0.821 1.00 0.00 H new ATOM 636 N HIS A 44 -12.481 0.463 0.025 1.00 0.00 N ATOM 637 CA HIS A 44 -13.954 0.654 -0.059 1.00 0.00 C ATOM 638 C HIS A 44 -14.592 -0.610 -0.633 1.00 0.00 C ATOM 639 O HIS A 44 -15.723 -0.934 -0.331 1.00 0.00 O ATOM 640 CB HIS A 44 -14.268 1.843 -0.969 1.00 0.00 C ATOM 641 CG HIS A 44 -15.706 2.248 -0.789 1.00 0.00 C ATOM 642 ND1 HIS A 44 -16.085 3.268 0.075 1.00 0.00 N ATOM 643 CD2 HIS A 44 -16.869 1.781 -1.352 1.00 0.00 C ATOM 644 CE1 HIS A 44 -17.425 3.380 0.007 1.00 0.00 C ATOM 645 NE2 HIS A 44 -17.946 2.498 -0.846 1.00 0.00 N ATOM 0 H HIS A 44 -11.930 1.029 -0.621 1.00 0.00 H new ATOM 0 HA HIS A 44 -14.354 0.848 0.936 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -13.611 2.680 -0.731 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -14.082 1.577 -2.010 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -16.936 0.981 -2.075 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -18.005 4.095 0.572 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -18.931 2.375 -1.079 1.00 0.00 H new ATOM 653 N SER A 45 -13.871 -1.327 -1.459 1.00 0.00 N ATOM 654 CA SER A 45 -14.429 -2.580 -2.061 1.00 0.00 C ATOM 655 C SER A 45 -13.364 -3.680 -2.035 1.00 0.00 C ATOM 656 O SER A 45 -12.182 -3.412 -1.963 1.00 0.00 O ATOM 657 CB SER A 45 -14.852 -2.306 -3.506 1.00 0.00 C ATOM 658 OG SER A 45 -15.487 -1.036 -3.575 1.00 0.00 O ATOM 0 H SER A 45 -12.918 -1.099 -1.744 1.00 0.00 H new ATOM 0 HA SER A 45 -15.296 -2.905 -1.486 1.00 0.00 H new ATOM 0 HB2 SER A 45 -13.982 -2.327 -4.162 1.00 0.00 H new ATOM 0 HB3 SER A 45 -15.531 -3.085 -3.852 1.00 0.00 H new ATOM 0 HG SER A 45 -15.758 -0.856 -4.499 1.00 0.00 H new ATOM 664 N ILE A 46 -13.778 -4.916 -2.096 1.00 0.00 N ATOM 665 CA ILE A 46 -12.800 -6.036 -2.077 1.00 0.00 C ATOM 666 C ILE A 46 -12.188 -6.182 -3.475 1.00 0.00 C ATOM 667 O ILE A 46 -12.884 -6.436 -4.438 1.00 0.00 O ATOM 668 CB ILE A 46 -13.516 -7.345 -1.697 1.00 0.00 C ATOM 669 CG1 ILE A 46 -14.511 -7.122 -0.531 1.00 0.00 C ATOM 670 CG2 ILE A 46 -12.482 -8.394 -1.293 1.00 0.00 C ATOM 671 CD1 ILE A 46 -13.781 -6.927 0.810 1.00 0.00 C ATOM 0 H ILE A 46 -14.756 -5.198 -2.158 1.00 0.00 H new ATOM 0 HA ILE A 46 -12.019 -5.829 -1.345 1.00 0.00 H new ATOM 0 HB ILE A 46 -14.078 -7.691 -2.564 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -15.127 -6.248 -0.741 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -15.184 -7.976 -0.458 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -12.989 -9.320 -1.024 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -11.806 -8.579 -2.128 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -11.911 -8.032 -0.438 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -14.512 -6.773 1.603 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -13.185 -7.812 1.032 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -13.128 -6.057 0.745 1.00 0.00 H new ATOM 683 N CYS A 47 -10.890 -6.022 -3.593 1.00 0.00 N ATOM 684 CA CYS A 47 -10.221 -6.148 -4.930 1.00 0.00 C ATOM 685 C CYS A 47 -9.353 -7.406 -4.955 1.00 0.00 C ATOM 686 O CYS A 47 -8.927 -7.902 -3.931 1.00 0.00 O ATOM 687 CB CYS A 47 -9.341 -4.919 -5.179 1.00 0.00 C ATOM 688 SG CYS A 47 -7.842 -5.015 -4.168 1.00 0.00 S ATOM 0 H CYS A 47 -10.262 -5.809 -2.818 1.00 0.00 H new ATOM 0 HA CYS A 47 -10.981 -6.217 -5.708 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -9.075 -4.860 -6.234 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -9.894 -4.011 -4.939 1.00 0.00 H new ATOM 693 N SER A 48 -9.085 -7.923 -6.123 1.00 0.00 N ATOM 694 CA SER A 48 -8.241 -9.147 -6.231 1.00 0.00 C ATOM 695 C SER A 48 -6.770 -8.742 -6.335 1.00 0.00 C ATOM 696 O SER A 48 -6.442 -7.597 -6.572 1.00 0.00 O ATOM 697 CB SER A 48 -8.644 -9.934 -7.482 1.00 0.00 C ATOM 698 OG SER A 48 -8.927 -9.025 -8.537 1.00 0.00 O ATOM 0 H SER A 48 -9.416 -7.548 -7.012 1.00 0.00 H new ATOM 0 HA SER A 48 -8.385 -9.769 -5.348 1.00 0.00 H new ATOM 0 HB2 SER A 48 -7.841 -10.610 -7.775 1.00 0.00 H new ATOM 0 HB3 SER A 48 -9.519 -10.550 -7.272 1.00 0.00 H new ATOM 0 HG SER A 48 -9.184 -9.525 -9.340 1.00 0.00 H new ATOM 704 N LEU A 49 -5.885 -9.682 -6.171 1.00 0.00 N ATOM 705 CA LEU A 49 -4.435 -9.370 -6.272 1.00 0.00 C ATOM 706 C LEU A 49 -4.161 -8.814 -7.663 1.00 0.00 C ATOM 707 O LEU A 49 -3.308 -7.974 -7.864 1.00 0.00 O ATOM 708 CB LEU A 49 -3.623 -10.653 -6.069 1.00 0.00 C ATOM 709 CG LEU A 49 -4.066 -11.374 -4.784 1.00 0.00 C ATOM 710 CD1 LEU A 49 -3.028 -12.433 -4.402 1.00 0.00 C ATOM 711 CD2 LEU A 49 -4.178 -10.383 -3.627 1.00 0.00 C ATOM 0 H LEU A 49 -6.105 -10.658 -5.970 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.152 -8.642 -5.512 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.754 -11.313 -6.927 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.561 -10.413 -6.011 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.035 -11.836 -4.971 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.345 -12.941 -3.492 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.935 -13.159 -5.210 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.064 -11.953 -4.233 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.492 -10.910 -2.726 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.209 -9.915 -3.454 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.913 -9.617 -3.874 1.00 0.00 H new ATOM 723 N TYR A 50 -4.901 -9.286 -8.620 1.00 0.00 N ATOM 724 CA TYR A 50 -4.747 -8.827 -10.014 1.00 0.00 C ATOM 725 C TYR A 50 -4.619 -7.310 -10.055 1.00 0.00 C ATOM 726 O TYR A 50 -3.657 -6.762 -10.555 1.00 0.00 O ATOM 727 CB TYR A 50 -6.005 -9.257 -10.767 1.00 0.00 C ATOM 728 CG TYR A 50 -5.697 -9.393 -12.219 1.00 0.00 C ATOM 729 CD1 TYR A 50 -5.124 -10.568 -12.672 1.00 0.00 C ATOM 730 CD2 TYR A 50 -5.984 -8.352 -13.095 1.00 0.00 C ATOM 731 CE1 TYR A 50 -4.826 -10.720 -14.029 1.00 0.00 C ATOM 732 CE2 TYR A 50 -5.693 -8.492 -14.456 1.00 0.00 C ATOM 733 CZ TYR A 50 -5.112 -9.680 -14.925 1.00 0.00 C ATOM 734 OH TYR A 50 -4.821 -9.824 -16.267 1.00 0.00 O ATOM 0 H TYR A 50 -5.626 -9.991 -8.485 1.00 0.00 H new ATOM 0 HA TYR A 50 -3.852 -9.255 -10.465 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -6.371 -10.205 -10.372 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -6.798 -8.523 -10.620 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -4.907 -11.367 -11.978 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -6.429 -7.440 -12.726 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -4.377 -11.635 -14.386 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -5.915 -7.689 -15.143 1.00 0.00 H new ATOM 0 HH TYR A 50 -5.083 -9.011 -16.748 1.00 0.00 H new ATOM 744 N GLN A 51 -5.594 -6.636 -9.534 1.00 0.00 N ATOM 745 CA GLN A 51 -5.551 -5.149 -9.540 1.00 0.00 C ATOM 746 C GLN A 51 -4.332 -4.687 -8.758 1.00 0.00 C ATOM 747 O GLN A 51 -3.621 -3.791 -9.167 1.00 0.00 O ATOM 748 CB GLN A 51 -6.819 -4.590 -8.900 1.00 0.00 C ATOM 749 CG GLN A 51 -8.034 -5.362 -9.427 1.00 0.00 C ATOM 750 CD GLN A 51 -9.308 -4.558 -9.166 1.00 0.00 C ATOM 751 OE1 GLN A 51 -9.370 -3.770 -8.245 1.00 0.00 O ATOM 752 NE2 GLN A 51 -10.330 -4.719 -9.956 1.00 0.00 N ATOM 0 H GLN A 51 -6.422 -7.046 -9.102 1.00 0.00 H new ATOM 0 HA GLN A 51 -5.488 -4.788 -10.567 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -6.761 -4.676 -7.815 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -6.919 -3.529 -9.130 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -7.923 -5.549 -10.495 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -8.099 -6.334 -8.938 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -10.277 -5.381 -10.730 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -11.184 -4.183 -9.801 1.00 0.00 H new ATOM 761 N LEU A 52 -4.071 -5.303 -7.644 1.00 0.00 N ATOM 762 CA LEU A 52 -2.882 -4.903 -6.859 1.00 0.00 C ATOM 763 C LEU A 52 -1.654 -5.145 -7.722 1.00 0.00 C ATOM 764 O LEU A 52 -0.629 -4.509 -7.576 1.00 0.00 O ATOM 765 CB LEU A 52 -2.802 -5.739 -5.589 1.00 0.00 C ATOM 766 CG LEU A 52 -4.005 -5.434 -4.686 1.00 0.00 C ATOM 767 CD1 LEU A 52 -3.868 -6.250 -3.413 1.00 0.00 C ATOM 768 CD2 LEU A 52 -4.049 -3.939 -4.324 1.00 0.00 C ATOM 0 H LEU A 52 -4.626 -6.061 -7.247 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.943 -3.852 -6.576 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.785 -6.799 -5.842 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.874 -5.523 -5.059 1.00 0.00 H new ATOM 0 HG LEU A 52 -4.924 -5.690 -5.214 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.715 -6.047 -2.758 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.848 -7.311 -3.661 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.943 -5.979 -2.905 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.909 -3.745 -3.684 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.135 -3.665 -3.797 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.134 -3.346 -5.235 1.00 0.00 H new ATOM 780 N GLU A 53 -1.771 -6.063 -8.634 1.00 0.00 N ATOM 781 CA GLU A 53 -0.645 -6.377 -9.545 1.00 0.00 C ATOM 782 C GLU A 53 -0.562 -5.264 -10.595 1.00 0.00 C ATOM 783 O GLU A 53 0.362 -5.192 -11.381 1.00 0.00 O ATOM 784 CB GLU A 53 -0.916 -7.756 -10.198 1.00 0.00 C ATOM 785 CG GLU A 53 0.334 -8.648 -10.159 1.00 0.00 C ATOM 786 CD GLU A 53 1.375 -8.116 -11.144 1.00 0.00 C ATOM 787 OE1 GLU A 53 1.943 -7.072 -10.868 1.00 0.00 O ATOM 788 OE2 GLU A 53 1.588 -8.761 -12.157 1.00 0.00 O ATOM 0 H GLU A 53 -2.613 -6.617 -8.788 1.00 0.00 H new ATOM 0 HA GLU A 53 0.305 -6.429 -9.014 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.736 -8.252 -9.678 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.233 -7.615 -11.231 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.749 -8.667 -9.151 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.069 -9.674 -10.414 1.00 0.00 H new ATOM 795 N ASN A 54 -1.541 -4.404 -10.604 1.00 0.00 N ATOM 796 CA ASN A 54 -1.569 -3.287 -11.585 1.00 0.00 C ATOM 797 C ASN A 54 -0.647 -2.157 -11.116 1.00 0.00 C ATOM 798 O ASN A 54 -0.152 -1.381 -11.910 1.00 0.00 O ATOM 799 CB ASN A 54 -3.015 -2.769 -11.691 1.00 0.00 C ATOM 800 CG ASN A 54 -3.242 -2.100 -13.047 1.00 0.00 C ATOM 801 OD1 ASN A 54 -2.312 -1.624 -13.669 1.00 0.00 O ATOM 802 ND2 ASN A 54 -4.452 -2.045 -13.532 1.00 0.00 N ATOM 0 H ASN A 54 -2.334 -4.429 -9.963 1.00 0.00 H new ATOM 0 HA ASN A 54 -1.224 -3.637 -12.558 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -3.715 -3.595 -11.564 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -3.213 -2.058 -10.889 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -4.620 -1.602 -14.435 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -5.230 -2.445 -13.008 1.00 0.00 H new ATOM 809 N TYR A 55 -0.426 -2.047 -9.831 1.00 0.00 N ATOM 810 CA TYR A 55 0.449 -0.954 -9.303 1.00 0.00 C ATOM 811 C TYR A 55 1.851 -1.489 -9.004 1.00 0.00 C ATOM 812 O TYR A 55 2.686 -0.787 -8.469 1.00 0.00 O ATOM 813 CB TYR A 55 -0.177 -0.404 -8.023 1.00 0.00 C ATOM 814 CG TYR A 55 -1.642 -0.165 -8.264 1.00 0.00 C ATOM 815 CD1 TYR A 55 -2.552 -1.198 -8.055 1.00 0.00 C ATOM 816 CD2 TYR A 55 -2.084 1.081 -8.705 1.00 0.00 C ATOM 817 CE1 TYR A 55 -3.921 -0.989 -8.284 1.00 0.00 C ATOM 818 CE2 TYR A 55 -3.448 1.297 -8.937 1.00 0.00 C ATOM 819 CZ TYR A 55 -4.368 0.262 -8.726 1.00 0.00 C ATOM 820 OH TYR A 55 -5.712 0.475 -8.954 1.00 0.00 O ATOM 0 H TYR A 55 -0.815 -2.668 -9.122 1.00 0.00 H new ATOM 0 HA TYR A 55 0.535 -0.164 -10.049 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -0.039 -1.108 -7.203 1.00 0.00 H new ATOM 0 HB3 TYR A 55 0.314 0.524 -7.731 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -2.204 -2.162 -7.716 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -1.375 1.879 -8.868 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -4.627 -1.790 -8.120 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -3.791 2.262 -9.279 1.00 0.00 H new ATOM 0 HH TYR A 55 -6.097 0.971 -8.201 1.00 0.00 H new ATOM 830 N CYS A 56 2.127 -2.718 -9.345 1.00 0.00 N ATOM 831 CA CYS A 56 3.488 -3.263 -9.074 1.00 0.00 C ATOM 832 C CYS A 56 4.473 -2.706 -10.104 1.00 0.00 C ATOM 833 O CYS A 56 4.410 -3.026 -11.274 1.00 0.00 O ATOM 834 CB CYS A 56 3.465 -4.786 -9.167 1.00 0.00 C ATOM 835 SG CYS A 56 2.482 -5.462 -7.808 1.00 0.00 S ATOM 0 H CYS A 56 1.477 -3.363 -9.795 1.00 0.00 H new ATOM 0 HA CYS A 56 3.799 -2.969 -8.072 1.00 0.00 H new ATOM 0 HB2 CYS A 56 3.043 -5.096 -10.123 1.00 0.00 H new ATOM 0 HB3 CYS A 56 4.481 -5.178 -9.125 1.00 0.00 H new ATOM 840 N ASN A 57 5.381 -1.872 -9.677 1.00 0.00 N ATOM 841 CA ASN A 57 6.369 -1.292 -10.630 1.00 0.00 C ATOM 842 C ASN A 57 5.630 -0.692 -11.828 1.00 0.00 C ATOM 843 O ASN A 57 6.296 -0.217 -12.733 1.00 0.00 O ATOM 844 CB ASN A 57 7.318 -2.389 -11.115 1.00 0.00 C ATOM 845 CG ASN A 57 8.298 -1.805 -12.133 1.00 0.00 C ATOM 846 OD1 ASN A 57 8.010 -1.754 -13.312 1.00 0.00 O ATOM 847 ND2 ASN A 57 9.453 -1.358 -11.724 1.00 0.00 N ATOM 848 OXT ASN A 57 4.410 -0.717 -11.820 1.00 0.00 O ATOM 0 H ASN A 57 5.481 -1.567 -8.709 1.00 0.00 H new ATOM 0 HA ASN A 57 6.942 -0.513 -10.128 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.863 -2.812 -10.271 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.750 -3.202 -11.567 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.114 -0.966 -12.394 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.695 -1.401 -10.734 1.00 0.00 H new TER 855 ASN A 57