USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 538 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 74 THR OG1 : rot 77:sc= 0.734 USER MOD Set 1.2: A 77 THR OG1 : rot 133:sc= 1 USER MOD Set 2.1: A 19 HIS : no HD1:sc= -2.4! C(o=-2.4!,f=-4!) USER MOD Set 2.2: A 65 HIS : no HE2:sc= 0 X(o=-2.4,f=-2.5) USER MOD Set 3.1: A 52 HIS : no HE2:sc= 0 X(o=0,f=-0.0022) USER MOD Set 3.2: A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 4.1: A 49 HIS : no HE2:sc= 0 X(o=0,f=0) USER MOD Set 4.2: A 62 HIS : no HD1:sc= 0 X(o=0,f=-0.0058) USER MOD Set 5.1: A 9 HIS : no HE2:sc= 0.312 K(o=0.31,f=-1.1) USER MOD Set 5.2: A 39 HIS : no HD1:sc= 0 X(o=0.31,f=0.29) USER MOD Set 6.1: A 17 ASN : amide:sc= -0.196 X(o=-1.9,f=-2.1) USER MOD Set 6.2: A 18 CYS SG : rot 180:sc= -1.72! USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.547 USER MOD Single : A 12 MET CE :methyl -171:sc= -1.75 (180deg=-1.94) USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -112:sc= 1.01 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -1.15 K(o=-1.2,f=-2!) USER MOD Single : A 35 CYS SG : rot 180:sc= 0.0204 USER MOD Single : A 36 GLN : amide:sc= -0.385 X(o=-0.38,f=-0.045) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot 180:sc= 0.0794 USER MOD Single : A 41 SER OG : rot 180:sc= 0.379 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -0.626 K(o=-0.63,f=-3.3!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl -167:sc= -0.324 (180deg=-0.576) USER MOD Single : A 58 CYS SG : rot -170:sc=-0.000564 USER MOD Single : A 61 CYS SG : rot 180:sc= -1.86! USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 CYS SG : rot -170:sc= 0.0103 USER MOD Single : A 78 CYS SG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 24 N GLU A 3 13.160 -8.190 3.265 1.00 0.00 N ATOM 25 CA GLU A 3 13.336 -6.843 2.750 1.00 0.00 C ATOM 26 C GLU A 3 11.980 -6.150 2.600 1.00 0.00 C ATOM 27 O GLU A 3 11.131 -6.598 1.831 1.00 0.00 O ATOM 28 CB GLU A 3 14.093 -6.859 1.420 1.00 0.00 C ATOM 29 CG GLU A 3 13.314 -7.633 0.355 1.00 0.00 C ATOM 30 CD GLU A 3 14.172 -8.744 -0.253 1.00 0.00 C ATOM 31 OE1 GLU A 3 13.830 -9.929 -0.129 1.00 0.00 O ATOM 32 OE2 GLU A 3 15.227 -8.340 -0.874 1.00 0.00 O ATOM 0 HA GLU A 3 13.934 -6.278 3.465 1.00 0.00 H new ATOM 0 HB2 GLU A 3 14.262 -5.837 1.081 1.00 0.00 H new ATOM 0 HB3 GLU A 3 15.073 -7.314 1.561 1.00 0.00 H new ATOM 0 HG2 GLU A 3 12.416 -8.063 0.798 1.00 0.00 H new ATOM 0 HG3 GLU A 3 12.987 -6.950 -0.430 1.00 0.00 H new ATOM 40 N THR A 4 11.818 -5.068 3.348 1.00 0.00 N ATOM 41 CA THR A 4 10.580 -4.309 3.309 1.00 0.00 C ATOM 42 C THR A 4 10.086 -4.170 1.867 1.00 0.00 C ATOM 43 O THR A 4 10.838 -4.407 0.924 1.00 0.00 O ATOM 44 CB THR A 4 10.827 -2.966 3.999 1.00 0.00 C ATOM 45 OG1 THR A 4 11.924 -2.404 3.283 1.00 0.00 O ATOM 46 CG2 THR A 4 11.356 -3.129 5.425 1.00 0.00 C ATOM 0 H THR A 4 12.524 -4.699 3.985 1.00 0.00 H new ATOM 0 HA THR A 4 9.783 -4.824 3.845 1.00 0.00 H new ATOM 0 HB THR A 4 9.900 -2.393 4.019 1.00 0.00 H new ATOM 0 HG1 THR A 4 12.150 -1.530 3.664 1.00 0.00 H new ATOM 0 HG21 THR A 4 11.514 -2.146 5.869 1.00 0.00 H new ATOM 0 HG22 THR A 4 10.631 -3.684 6.021 1.00 0.00 H new ATOM 0 HG23 THR A 4 12.300 -3.673 5.403 1.00 0.00 H new ATOM 54 N LEU A 5 8.824 -3.786 1.743 1.00 0.00 N ATOM 55 CA LEU A 5 8.220 -3.613 0.433 1.00 0.00 C ATOM 56 C LEU A 5 8.914 -2.460 -0.295 1.00 0.00 C ATOM 57 O LEU A 5 9.168 -2.543 -1.496 1.00 0.00 O ATOM 58 CB LEU A 5 6.706 -3.436 0.560 1.00 0.00 C ATOM 59 CG LEU A 5 5.870 -3.943 -0.618 1.00 0.00 C ATOM 60 CD1 LEU A 5 5.240 -5.300 -0.299 1.00 0.00 C ATOM 61 CD2 LEU A 5 4.823 -2.908 -1.033 1.00 0.00 C ATOM 0 H LEU A 5 8.203 -3.590 2.528 1.00 0.00 H new ATOM 0 HA LEU A 5 8.364 -4.507 -0.174 1.00 0.00 H new ATOM 0 HB2 LEU A 5 6.375 -3.949 1.463 1.00 0.00 H new ATOM 0 HB3 LEU A 5 6.495 -2.376 0.700 1.00 0.00 H new ATOM 0 HG LEU A 5 6.534 -4.089 -1.470 1.00 0.00 H new ATOM 0 HD11 LEU A 5 4.652 -5.638 -1.152 1.00 0.00 H new ATOM 0 HD12 LEU A 5 6.026 -6.026 -0.090 1.00 0.00 H new ATOM 0 HD13 LEU A 5 4.593 -5.205 0.573 1.00 0.00 H new ATOM 0 HD21 LEU A 5 4.243 -3.293 -1.872 1.00 0.00 H new ATOM 0 HD22 LEU A 5 4.158 -2.707 -0.193 1.00 0.00 H new ATOM 0 HD23 LEU A 5 5.321 -1.985 -1.330 1.00 0.00 H new ATOM 73 N ALA A 6 9.202 -1.411 0.462 1.00 0.00 N ATOM 74 CA ALA A 6 9.862 -0.243 -0.096 1.00 0.00 C ATOM 75 C ALA A 6 11.205 -0.661 -0.699 1.00 0.00 C ATOM 76 O ALA A 6 11.671 -0.057 -1.664 1.00 0.00 O ATOM 77 CB ALA A 6 10.016 0.823 0.989 1.00 0.00 C ATOM 0 H ALA A 6 8.990 -1.346 1.458 1.00 0.00 H new ATOM 0 HA ALA A 6 9.263 0.191 -0.896 1.00 0.00 H new ATOM 0 HB1 ALA A 6 10.511 1.699 0.571 1.00 0.00 H new ATOM 0 HB2 ALA A 6 9.032 1.106 1.363 1.00 0.00 H new ATOM 0 HB3 ALA A 6 10.615 0.425 1.808 1.00 0.00 H new ATOM 83 N GLU A 7 11.789 -1.691 -0.104 1.00 0.00 N ATOM 84 CA GLU A 7 13.069 -2.197 -0.570 1.00 0.00 C ATOM 85 C GLU A 7 12.895 -2.944 -1.894 1.00 0.00 C ATOM 86 O GLU A 7 13.516 -2.593 -2.896 1.00 0.00 O ATOM 87 CB GLU A 7 13.721 -3.093 0.484 1.00 0.00 C ATOM 88 CG GLU A 7 15.231 -2.852 0.551 1.00 0.00 C ATOM 89 CD GLU A 7 15.539 -1.468 1.125 1.00 0.00 C ATOM 90 OE1 GLU A 7 15.567 -1.298 2.353 1.00 0.00 O ATOM 91 OE2 GLU A 7 15.757 -0.549 0.246 1.00 0.00 O ATOM 0 H GLU A 7 11.399 -2.189 0.697 1.00 0.00 H new ATOM 0 HA GLU A 7 13.733 -1.349 -0.739 1.00 0.00 H new ATOM 0 HB2 GLU A 7 13.274 -2.898 1.459 1.00 0.00 H new ATOM 0 HB3 GLU A 7 13.526 -4.139 0.248 1.00 0.00 H new ATOM 0 HG2 GLU A 7 15.698 -3.618 1.169 1.00 0.00 H new ATOM 0 HG3 GLU A 7 15.662 -2.940 -0.446 1.00 0.00 H new ATOM 99 N PHE A 8 12.047 -3.962 -1.855 1.00 0.00 N ATOM 100 CA PHE A 8 11.783 -4.762 -3.038 1.00 0.00 C ATOM 101 C PHE A 8 11.543 -3.872 -4.260 1.00 0.00 C ATOM 102 O PHE A 8 11.981 -4.194 -5.363 1.00 0.00 O ATOM 103 CB PHE A 8 10.517 -5.573 -2.757 1.00 0.00 C ATOM 104 CG PHE A 8 10.005 -6.367 -3.961 1.00 0.00 C ATOM 105 CD1 PHE A 8 10.696 -7.452 -4.403 1.00 0.00 C ATOM 106 CD2 PHE A 8 8.860 -5.988 -4.589 1.00 0.00 C ATOM 107 CE1 PHE A 8 10.222 -8.188 -5.520 1.00 0.00 C ATOM 108 CE2 PHE A 8 8.386 -6.724 -5.706 1.00 0.00 C ATOM 109 CZ PHE A 8 9.076 -7.809 -6.148 1.00 0.00 C ATOM 0 H PHE A 8 11.534 -4.251 -1.022 1.00 0.00 H new ATOM 0 HA PHE A 8 12.638 -5.403 -3.251 1.00 0.00 H new ATOM 0 HB2 PHE A 8 10.715 -6.264 -1.937 1.00 0.00 H new ATOM 0 HB3 PHE A 8 9.732 -4.896 -2.421 1.00 0.00 H new ATOM 0 HD1 PHE A 8 11.605 -7.753 -3.904 1.00 0.00 H new ATOM 0 HD2 PHE A 8 8.311 -5.127 -4.238 1.00 0.00 H new ATOM 0 HE1 PHE A 8 10.771 -9.049 -5.872 1.00 0.00 H new ATOM 0 HE2 PHE A 8 7.477 -6.422 -6.205 1.00 0.00 H new ATOM 0 HZ PHE A 8 8.715 -8.370 -6.997 1.00 0.00 H new ATOM 119 N HIS A 9 10.847 -2.770 -4.021 1.00 0.00 N ATOM 120 CA HIS A 9 10.544 -1.831 -5.088 1.00 0.00 C ATOM 121 C HIS A 9 11.807 -1.053 -5.462 1.00 0.00 C ATOM 122 O HIS A 9 12.038 -0.765 -6.635 1.00 0.00 O ATOM 123 CB HIS A 9 9.380 -0.919 -4.694 1.00 0.00 C ATOM 124 CG HIS A 9 8.018 -1.532 -4.911 1.00 0.00 C ATOM 125 ND1 HIS A 9 7.396 -2.331 -3.966 1.00 0.00 N ATOM 126 CD2 HIS A 9 7.164 -1.455 -5.972 1.00 0.00 C ATOM 127 CE1 HIS A 9 6.223 -2.713 -4.449 1.00 0.00 C ATOM 128 NE2 HIS A 9 6.081 -2.169 -5.692 1.00 0.00 N ATOM 0 H HIS A 9 10.484 -2.506 -3.105 1.00 0.00 H new ATOM 0 HA HIS A 9 10.219 -2.375 -5.975 1.00 0.00 H new ATOM 0 HB2 HIS A 9 9.483 -0.650 -3.643 1.00 0.00 H new ATOM 0 HB3 HIS A 9 9.446 0.006 -5.267 1.00 0.00 H new ATOM 0 HD1 HIS A 9 7.776 -2.582 -3.054 1.00 0.00 H new ATOM 0 HD2 HIS A 9 7.340 -0.906 -6.885 1.00 0.00 H new ATOM 0 HE1 HIS A 9 5.505 -3.344 -3.947 1.00 0.00 H new ATOM 136 N VAL A 10 12.591 -0.735 -4.442 1.00 0.00 N ATOM 137 CA VAL A 10 13.825 0.004 -4.649 1.00 0.00 C ATOM 138 C VAL A 10 14.722 -0.770 -5.617 1.00 0.00 C ATOM 139 O VAL A 10 15.131 -0.240 -6.648 1.00 0.00 O ATOM 140 CB VAL A 10 14.499 0.284 -3.304 1.00 0.00 C ATOM 141 CG1 VAL A 10 16.000 0.521 -3.482 1.00 0.00 C ATOM 142 CG2 VAL A 10 13.837 1.467 -2.595 1.00 0.00 C ATOM 0 H VAL A 10 12.396 -0.976 -3.470 1.00 0.00 H new ATOM 0 HA VAL A 10 13.618 0.973 -5.102 1.00 0.00 H new ATOM 0 HB VAL A 10 14.371 -0.597 -2.675 1.00 0.00 H new ATOM 0 HG11 VAL A 10 16.455 0.718 -2.511 1.00 0.00 H new ATOM 0 HG12 VAL A 10 16.458 -0.363 -3.925 1.00 0.00 H new ATOM 0 HG13 VAL A 10 16.158 1.378 -4.137 1.00 0.00 H new ATOM 0 HG21 VAL A 10 14.335 1.645 -1.642 1.00 0.00 H new ATOM 0 HG22 VAL A 10 13.919 2.357 -3.219 1.00 0.00 H new ATOM 0 HG23 VAL A 10 12.785 1.243 -2.419 1.00 0.00 H new ATOM 152 N GLU A 11 15.000 -2.013 -5.250 1.00 0.00 N ATOM 153 CA GLU A 11 15.841 -2.865 -6.074 1.00 0.00 C ATOM 154 C GLU A 11 15.319 -2.896 -7.512 1.00 0.00 C ATOM 155 O GLU A 11 16.055 -3.238 -8.436 1.00 0.00 O ATOM 156 CB GLU A 11 15.927 -4.277 -5.491 1.00 0.00 C ATOM 157 CG GLU A 11 16.921 -5.135 -6.277 1.00 0.00 C ATOM 158 CD GLU A 11 17.433 -6.299 -5.426 1.00 0.00 C ATOM 159 OE1 GLU A 11 16.831 -7.383 -5.433 1.00 0.00 O ATOM 160 OE2 GLU A 11 18.497 -6.048 -4.742 1.00 0.00 O ATOM 0 H GLU A 11 14.658 -2.450 -4.394 1.00 0.00 H new ATOM 0 HA GLU A 11 16.848 -2.449 -6.084 1.00 0.00 H new ATOM 0 HB2 GLU A 11 16.233 -4.225 -4.446 1.00 0.00 H new ATOM 0 HB3 GLU A 11 14.942 -4.744 -5.512 1.00 0.00 H new ATOM 0 HG2 GLU A 11 16.442 -5.521 -7.177 1.00 0.00 H new ATOM 0 HG3 GLU A 11 17.761 -4.520 -6.602 1.00 0.00 H new ATOM 168 N MET A 12 14.053 -2.534 -7.655 1.00 0.00 N ATOM 169 CA MET A 12 13.424 -2.516 -8.965 1.00 0.00 C ATOM 170 C MET A 12 13.301 -1.086 -9.495 1.00 0.00 C ATOM 171 O MET A 12 12.498 -0.818 -10.387 1.00 0.00 O ATOM 172 CB MET A 12 12.033 -3.148 -8.873 1.00 0.00 C ATOM 173 CG MET A 12 12.070 -4.619 -9.293 1.00 0.00 C ATOM 174 SD MET A 12 10.408 -5.257 -9.427 1.00 0.00 S ATOM 175 CE MET A 12 9.718 -4.647 -7.898 1.00 0.00 C ATOM 0 H MET A 12 13.446 -2.251 -6.886 1.00 0.00 H new ATOM 0 HA MET A 12 14.047 -3.086 -9.654 1.00 0.00 H new ATOM 0 HB2 MET A 12 11.660 -3.067 -7.852 1.00 0.00 H new ATOM 0 HB3 MET A 12 11.338 -2.601 -9.511 1.00 0.00 H new ATOM 0 HG2 MET A 12 12.585 -4.720 -10.248 1.00 0.00 H new ATOM 0 HG3 MET A 12 12.634 -5.200 -8.563 1.00 0.00 H new ATOM 0 HE1 MET A 12 8.733 -5.087 -7.742 1.00 0.00 H new ATOM 0 HE2 MET A 12 10.372 -4.919 -7.070 1.00 0.00 H new ATOM 0 HE3 MET A 12 9.627 -3.562 -7.947 1.00 0.00 H new ATOM 185 N GLY A 13 14.109 -0.206 -8.923 1.00 0.00 N ATOM 186 CA GLY A 13 14.101 1.190 -9.326 1.00 0.00 C ATOM 187 C GLY A 13 14.981 2.033 -8.401 1.00 0.00 C ATOM 188 O GLY A 13 16.109 2.375 -8.752 1.00 0.00 O ATOM 0 H GLY A 13 14.774 -0.433 -8.183 1.00 0.00 H new ATOM 0 HA2 GLY A 13 14.457 1.278 -10.352 1.00 0.00 H new ATOM 0 HA3 GLY A 13 13.080 1.571 -9.309 1.00 0.00 H new ATOM 192 N GLY A 14 14.431 2.345 -7.236 1.00 0.00 N ATOM 193 CA GLY A 14 15.152 3.141 -6.258 1.00 0.00 C ATOM 194 C GLY A 14 14.188 3.788 -5.261 1.00 0.00 C ATOM 195 O GLY A 14 13.005 3.454 -5.229 1.00 0.00 O ATOM 0 H GLY A 14 13.495 2.061 -6.948 1.00 0.00 H new ATOM 0 HA2 GLY A 14 15.864 2.511 -5.725 1.00 0.00 H new ATOM 0 HA3 GLY A 14 15.728 3.914 -6.766 1.00 0.00 H new ATOM 199 N CYS A 15 14.731 4.704 -4.471 1.00 0.00 N ATOM 200 CA CYS A 15 13.934 5.401 -3.476 1.00 0.00 C ATOM 201 C CYS A 15 13.002 6.373 -4.202 1.00 0.00 C ATOM 202 O CYS A 15 12.019 6.840 -3.629 1.00 0.00 O ATOM 203 CB CYS A 15 14.813 6.114 -2.446 1.00 0.00 C ATOM 204 SG CYS A 15 15.821 5.004 -1.397 1.00 0.00 S ATOM 0 H CYS A 15 15.713 4.979 -4.500 1.00 0.00 H new ATOM 0 HA CYS A 15 13.339 4.682 -2.913 1.00 0.00 H new ATOM 0 HB2 CYS A 15 15.479 6.799 -2.970 1.00 0.00 H new ATOM 0 HB3 CYS A 15 14.175 6.719 -1.802 1.00 0.00 H new ATOM 0 HG CYS A 15 16.525 5.714 -0.566 1.00 0.00 H new ATOM 209 N GLU A 16 13.343 6.648 -5.452 1.00 0.00 N ATOM 210 CA GLU A 16 12.549 7.556 -6.262 1.00 0.00 C ATOM 211 C GLU A 16 11.358 6.816 -6.876 1.00 0.00 C ATOM 212 O GLU A 16 10.677 7.348 -7.751 1.00 0.00 O ATOM 213 CB GLU A 16 13.404 8.214 -7.346 1.00 0.00 C ATOM 214 CG GLU A 16 14.306 9.297 -6.751 1.00 0.00 C ATOM 215 CD GLU A 16 14.155 10.616 -7.511 1.00 0.00 C ATOM 216 OE1 GLU A 16 13.115 10.850 -8.145 1.00 0.00 O ATOM 217 OE2 GLU A 16 15.165 11.413 -7.426 1.00 0.00 O ATOM 0 H GLU A 16 14.159 6.258 -5.924 1.00 0.00 H new ATOM 0 HA GLU A 16 12.167 8.347 -5.617 1.00 0.00 H new ATOM 0 HB2 GLU A 16 14.015 7.459 -7.841 1.00 0.00 H new ATOM 0 HB3 GLU A 16 12.759 8.651 -8.108 1.00 0.00 H new ATOM 0 HG2 GLU A 16 14.055 9.448 -5.701 1.00 0.00 H new ATOM 0 HG3 GLU A 16 15.345 8.970 -6.787 1.00 0.00 H new ATOM 225 N ASN A 17 11.145 5.601 -6.394 1.00 0.00 N ATOM 226 CA ASN A 17 10.049 4.782 -6.884 1.00 0.00 C ATOM 227 C ASN A 17 8.724 5.357 -6.380 1.00 0.00 C ATOM 228 O ASN A 17 7.683 5.170 -7.009 1.00 0.00 O ATOM 229 CB ASN A 17 10.165 3.344 -6.375 1.00 0.00 C ATOM 230 CG ASN A 17 9.420 2.375 -7.296 1.00 0.00 C ATOM 231 OD1 ASN A 17 10.001 1.510 -7.930 1.00 0.00 O ATOM 232 ND2 ASN A 17 8.104 2.568 -7.333 1.00 0.00 N ATOM 0 H ASN A 17 11.713 5.163 -5.669 1.00 0.00 H new ATOM 0 HA ASN A 17 10.088 4.783 -7.973 1.00 0.00 H new ATOM 0 HB2 ASN A 17 11.215 3.059 -6.315 1.00 0.00 H new ATOM 0 HB3 ASN A 17 9.758 3.278 -5.366 1.00 0.00 H new ATOM 0 HD21 ASN A 17 7.517 1.973 -7.918 1.00 0.00 H new ATOM 0 HD22 ASN A 17 7.682 3.311 -6.777 1.00 0.00 H new ATOM 239 N CYS A 18 8.805 6.045 -5.251 1.00 0.00 N ATOM 240 CA CYS A 18 7.625 6.649 -4.656 1.00 0.00 C ATOM 241 C CYS A 18 8.046 7.948 -3.965 1.00 0.00 C ATOM 242 O CYS A 18 7.394 8.393 -3.022 1.00 0.00 O ATOM 243 CB CYS A 18 6.926 5.690 -3.690 1.00 0.00 C ATOM 244 SG CYS A 18 7.080 3.970 -4.294 1.00 0.00 S ATOM 0 H CYS A 18 9.670 6.198 -4.732 1.00 0.00 H new ATOM 0 HA CYS A 18 6.896 6.873 -5.435 1.00 0.00 H new ATOM 0 HB2 CYS A 18 7.367 5.776 -2.697 1.00 0.00 H new ATOM 0 HB3 CYS A 18 5.874 5.958 -3.596 1.00 0.00 H new ATOM 0 HG CYS A 18 6.485 3.164 -3.465 1.00 0.00 H new ATOM 249 N HIS A 19 9.133 8.519 -4.462 1.00 0.00 N ATOM 250 CA HIS A 19 9.649 9.758 -3.905 1.00 0.00 C ATOM 251 C HIS A 19 10.249 10.613 -5.023 1.00 0.00 C ATOM 252 O HIS A 19 10.976 10.105 -5.876 1.00 0.00 O ATOM 253 CB HIS A 19 10.643 9.474 -2.777 1.00 0.00 C ATOM 254 CG HIS A 19 10.040 8.755 -1.594 1.00 0.00 C ATOM 255 ND1 HIS A 19 8.801 9.080 -1.071 1.00 0.00 N ATOM 256 CD2 HIS A 19 10.519 7.725 -0.839 1.00 0.00 C ATOM 257 CE1 HIS A 19 8.555 8.276 -0.047 1.00 0.00 C ATOM 258 NE2 HIS A 19 9.621 7.437 0.095 1.00 0.00 N ATOM 0 H HIS A 19 9.671 8.147 -5.245 1.00 0.00 H new ATOM 0 HA HIS A 19 8.834 10.327 -3.458 1.00 0.00 H new ATOM 0 HB2 HIS A 19 11.464 8.876 -3.172 1.00 0.00 H new ATOM 0 HB3 HIS A 19 11.070 10.417 -2.437 1.00 0.00 H new ATOM 0 HD2 HIS A 19 11.468 7.228 -0.978 1.00 0.00 H new ATOM 0 HE1 HIS A 19 7.667 8.284 0.567 1.00 0.00 H new ATOM 0 HE2 HIS A 19 9.713 6.708 0.803 1.00 0.00 H new ATOM 266 N ALA A 20 9.923 11.896 -4.983 1.00 0.00 N ATOM 267 CA ALA A 20 10.420 12.827 -5.982 1.00 0.00 C ATOM 268 C ALA A 20 11.641 13.562 -5.425 1.00 0.00 C ATOM 269 O ALA A 20 11.541 14.269 -4.424 1.00 0.00 O ATOM 270 CB ALA A 20 9.300 13.785 -6.391 1.00 0.00 C ATOM 0 H ALA A 20 9.320 12.313 -4.274 1.00 0.00 H new ATOM 0 HA ALA A 20 10.736 12.294 -6.879 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.674 14.483 -7.140 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.469 13.216 -6.808 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.958 14.340 -5.517 1.00 0.00 H new ATOM 276 N ASP A 21 12.766 13.369 -6.098 1.00 0.00 N ATOM 277 CA ASP A 21 14.005 14.005 -5.683 1.00 0.00 C ATOM 278 C ASP A 21 14.170 13.850 -4.170 1.00 0.00 C ATOM 279 O ASP A 21 14.677 14.750 -3.502 1.00 0.00 O ATOM 280 CB ASP A 21 13.991 15.501 -6.006 1.00 0.00 C ATOM 281 CG ASP A 21 14.283 15.849 -7.467 1.00 0.00 C ATOM 282 OD1 ASP A 21 15.328 16.434 -7.788 1.00 0.00 O ATOM 283 OD2 ASP A 21 13.370 15.491 -8.306 1.00 0.00 O ATOM 0 H ASP A 21 12.845 12.781 -6.928 1.00 0.00 H new ATOM 0 HA ASP A 21 14.825 13.528 -6.219 1.00 0.00 H new ATOM 0 HB2 ASP A 21 13.015 15.906 -5.740 1.00 0.00 H new ATOM 0 HB3 ASP A 21 14.726 16.001 -5.375 1.00 0.00 H new ATOM 289 N GLY A 22 13.733 12.702 -3.674 1.00 0.00 N ATOM 290 CA GLY A 22 13.827 12.417 -2.252 1.00 0.00 C ATOM 291 C GLY A 22 13.090 13.478 -1.431 1.00 0.00 C ATOM 292 O GLY A 22 13.687 14.133 -0.578 1.00 0.00 O ATOM 0 H GLY A 22 13.313 11.958 -4.231 1.00 0.00 H new ATOM 0 HA2 GLY A 22 13.404 11.434 -2.046 1.00 0.00 H new ATOM 0 HA3 GLY A 22 14.875 12.383 -1.953 1.00 0.00 H new ATOM 296 N GLU A 23 11.804 13.614 -1.717 1.00 0.00 N ATOM 297 CA GLU A 23 10.980 14.583 -1.016 1.00 0.00 C ATOM 298 C GLU A 23 9.578 14.016 -0.779 1.00 0.00 C ATOM 299 O GLU A 23 8.603 14.399 -1.421 1.00 0.00 O ATOM 300 CB GLU A 23 10.914 15.905 -1.784 1.00 0.00 C ATOM 301 CG GLU A 23 10.580 17.068 -0.847 1.00 0.00 C ATOM 302 CD GLU A 23 11.849 17.648 -0.220 1.00 0.00 C ATOM 303 OE1 GLU A 23 12.859 16.940 -0.097 1.00 0.00 O ATOM 304 OE2 GLU A 23 11.761 18.882 0.146 1.00 0.00 O ATOM 0 H GLU A 23 11.312 13.069 -2.425 1.00 0.00 H new ATOM 0 HA GLU A 23 11.437 14.786 -0.048 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.869 16.092 -2.276 1.00 0.00 H new ATOM 0 HB3 GLU A 23 10.160 15.837 -2.568 1.00 0.00 H new ATOM 0 HG2 GLU A 23 10.055 17.846 -1.401 1.00 0.00 H new ATOM 0 HG3 GLU A 23 9.906 16.725 -0.062 1.00 0.00 H new ATOM 312 N PRO A 24 9.501 13.082 0.171 1.00 0.00 N ATOM 313 CA PRO A 24 8.278 12.413 0.560 1.00 0.00 C ATOM 314 C PRO A 24 7.136 13.419 0.599 1.00 0.00 C ATOM 315 O PRO A 24 7.269 14.442 1.270 1.00 0.00 O ATOM 316 CB PRO A 24 8.563 11.855 1.953 1.00 0.00 C ATOM 317 CG PRO A 24 10.034 11.614 1.940 1.00 0.00 C ATOM 318 CD PRO A 24 10.628 12.608 0.945 1.00 0.00 C ATOM 0 HA PRO A 24 7.986 11.626 -0.135 1.00 0.00 H new ATOM 0 HB2 PRO A 24 8.279 12.561 2.733 1.00 0.00 H new ATOM 0 HB3 PRO A 24 8.008 10.935 2.138 1.00 0.00 H new ATOM 0 HG2 PRO A 24 10.459 11.758 2.933 1.00 0.00 H new ATOM 0 HG3 PRO A 24 10.256 10.589 1.644 1.00 0.00 H new ATOM 0 HD2 PRO A 24 11.128 13.430 1.458 1.00 0.00 H new ATOM 0 HD3 PRO A 24 11.372 12.131 0.307 1.00 0.00 H new ATOM 326 N SER A 25 6.057 13.120 -0.108 1.00 0.00 N ATOM 327 CA SER A 25 4.912 14.014 -0.140 1.00 0.00 C ATOM 328 C SER A 25 4.495 14.381 1.285 1.00 0.00 C ATOM 329 O SER A 25 4.630 13.573 2.203 1.00 0.00 O ATOM 330 CB SER A 25 3.739 13.379 -0.890 1.00 0.00 C ATOM 331 OG SER A 25 2.991 12.493 -0.060 1.00 0.00 O ATOM 0 H SER A 25 5.951 12.271 -0.663 1.00 0.00 H new ATOM 0 HA SER A 25 5.200 14.921 -0.672 1.00 0.00 H new ATOM 0 HB2 SER A 25 3.083 14.163 -1.267 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.115 12.834 -1.756 1.00 0.00 H new ATOM 0 HG SER A 25 3.116 11.571 -0.369 1.00 0.00 H new ATOM 337 N LYS A 26 3.995 15.600 1.426 1.00 0.00 N ATOM 338 CA LYS A 26 3.557 16.084 2.724 1.00 0.00 C ATOM 339 C LYS A 26 2.045 15.888 2.853 1.00 0.00 C ATOM 340 O LYS A 26 1.379 16.628 3.575 1.00 0.00 O ATOM 341 CB LYS A 26 4.010 17.529 2.938 1.00 0.00 C ATOM 342 CG LYS A 26 3.323 18.471 1.946 1.00 0.00 C ATOM 343 CD LYS A 26 4.317 19.484 1.374 1.00 0.00 C ATOM 344 CE LYS A 26 4.873 19.008 0.031 1.00 0.00 C ATOM 345 NZ LYS A 26 4.621 20.018 -1.021 1.00 0.00 N ATOM 0 H LYS A 26 3.884 16.267 0.662 1.00 0.00 H new ATOM 0 HA LYS A 26 4.023 15.507 3.523 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.781 17.839 3.958 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.091 17.596 2.820 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.881 17.892 1.135 1.00 0.00 H new ATOM 0 HG3 LYS A 26 2.508 18.997 2.443 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.826 20.449 1.247 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.135 19.633 2.078 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.944 18.825 0.118 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.409 18.061 -0.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.005 19.679 -1.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.597 20.173 -1.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.084 20.912 -0.762 1.00 0.00 H new ATOM 358 N ASP A 27 1.548 14.886 2.143 1.00 0.00 N ATOM 359 CA ASP A 27 0.127 14.583 2.169 1.00 0.00 C ATOM 360 C ASP A 27 -0.067 13.065 2.171 1.00 0.00 C ATOM 361 O ASP A 27 -0.595 12.505 3.129 1.00 0.00 O ATOM 362 CB ASP A 27 -0.580 15.148 0.935 1.00 0.00 C ATOM 363 CG ASP A 27 0.224 15.068 -0.364 1.00 0.00 C ATOM 364 OD1 ASP A 27 1.413 15.417 -0.402 1.00 0.00 O ATOM 365 OD2 ASP A 27 -0.428 14.618 -1.382 1.00 0.00 O ATOM 0 H ASP A 27 2.104 14.274 1.546 1.00 0.00 H new ATOM 0 HA ASP A 27 -0.297 15.034 3.066 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.520 14.613 0.797 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.832 16.191 1.125 1.00 0.00 H new ATOM 371 N GLY A 28 0.371 12.444 1.086 1.00 0.00 N ATOM 372 CA GLY A 28 0.253 11.002 0.950 1.00 0.00 C ATOM 373 C GLY A 28 -0.425 10.629 -0.370 1.00 0.00 C ATOM 374 O GLY A 28 -0.101 9.606 -0.970 1.00 0.00 O ATOM 0 H GLY A 28 0.808 12.913 0.293 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.242 10.547 0.996 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -0.322 10.600 1.784 1.00 0.00 H new ATOM 378 N ALA A 29 -1.352 11.481 -0.783 1.00 0.00 N ATOM 379 CA ALA A 29 -2.078 11.253 -2.021 1.00 0.00 C ATOM 380 C ALA A 29 -1.085 11.176 -3.183 1.00 0.00 C ATOM 381 O ALA A 29 -1.151 10.299 -4.041 1.00 0.00 O ATOM 382 CB ALA A 29 -3.116 12.360 -2.215 1.00 0.00 C ATOM 0 H ALA A 29 -1.617 12.330 -0.283 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.615 10.305 -1.982 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.661 12.189 -3.144 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.814 12.355 -1.378 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.613 13.326 -2.262 1.00 0.00 H new ATOM 388 N TYR A 30 -0.150 12.128 -3.190 1.00 0.00 N ATOM 389 CA TYR A 30 0.864 12.195 -4.224 1.00 0.00 C ATOM 390 C TYR A 30 1.511 10.830 -4.401 1.00 0.00 C ATOM 391 O TYR A 30 1.705 10.407 -5.539 1.00 0.00 O ATOM 392 CB TYR A 30 1.906 13.243 -3.845 1.00 0.00 C ATOM 393 CG TYR A 30 2.917 13.509 -4.935 1.00 0.00 C ATOM 394 CD1 TYR A 30 2.491 13.690 -6.256 1.00 0.00 C ATOM 395 CD2 TYR A 30 4.280 13.574 -4.624 1.00 0.00 C ATOM 396 CE1 TYR A 30 3.428 13.936 -7.266 1.00 0.00 C ATOM 397 CE2 TYR A 30 5.218 13.820 -5.634 1.00 0.00 C ATOM 398 CZ TYR A 30 4.792 14.001 -6.955 1.00 0.00 C ATOM 399 OH TYR A 30 5.706 14.240 -7.940 1.00 0.00 O ATOM 0 H TYR A 30 -0.081 12.862 -2.485 1.00 0.00 H new ATOM 0 HA TYR A 30 0.406 12.483 -5.170 1.00 0.00 H new ATOM 0 HB2 TYR A 30 1.398 14.175 -3.596 1.00 0.00 H new ATOM 0 HB3 TYR A 30 2.430 12.915 -2.947 1.00 0.00 H new ATOM 0 HD1 TYR A 30 1.439 13.640 -6.496 1.00 0.00 H new ATOM 0 HD2 TYR A 30 4.608 13.434 -3.605 1.00 0.00 H new ATOM 0 HE1 TYR A 30 3.099 14.076 -8.285 1.00 0.00 H new ATOM 0 HE2 TYR A 30 6.270 13.870 -5.394 1.00 0.00 H new ATOM 0 HH TYR A 30 6.607 14.254 -7.554 1.00 0.00 H new ATOM 409 N GLU A 31 1.829 10.175 -3.293 1.00 0.00 N ATOM 410 CA GLU A 31 2.451 8.864 -3.351 1.00 0.00 C ATOM 411 C GLU A 31 1.464 7.831 -3.898 1.00 0.00 C ATOM 412 O GLU A 31 1.787 7.087 -4.823 1.00 0.00 O ATOM 413 CB GLU A 31 2.977 8.445 -1.977 1.00 0.00 C ATOM 414 CG GLU A 31 4.375 9.014 -1.728 1.00 0.00 C ATOM 415 CD GLU A 31 4.497 9.567 -0.306 1.00 0.00 C ATOM 416 OE1 GLU A 31 3.532 10.139 0.222 1.00 0.00 O ATOM 417 OE2 GLU A 31 5.645 9.384 0.253 1.00 0.00 O ATOM 0 H GLU A 31 1.667 10.529 -2.350 1.00 0.00 H new ATOM 0 HA GLU A 31 3.303 8.918 -4.029 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.295 8.793 -1.201 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.006 7.357 -1.911 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.122 8.235 -1.884 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.583 9.805 -2.449 1.00 0.00 H new ATOM 425 N PHE A 32 0.280 7.819 -3.304 1.00 0.00 N ATOM 426 CA PHE A 32 -0.757 6.891 -3.721 1.00 0.00 C ATOM 427 C PHE A 32 -0.871 6.844 -5.246 1.00 0.00 C ATOM 428 O PHE A 32 -1.303 5.839 -5.809 1.00 0.00 O ATOM 429 CB PHE A 32 -2.076 7.402 -3.138 1.00 0.00 C ATOM 430 CG PHE A 32 -3.319 6.737 -3.733 1.00 0.00 C ATOM 431 CD1 PHE A 32 -3.261 5.447 -4.161 1.00 0.00 C ATOM 432 CD2 PHE A 32 -4.482 7.435 -3.835 1.00 0.00 C ATOM 433 CE1 PHE A 32 -4.414 4.829 -4.713 1.00 0.00 C ATOM 434 CE2 PHE A 32 -5.635 6.817 -4.387 1.00 0.00 C ATOM 435 CZ PHE A 32 -5.577 5.528 -4.815 1.00 0.00 C ATOM 0 H PHE A 32 0.016 8.437 -2.537 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.519 5.887 -3.371 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.071 7.241 -2.060 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -2.140 8.478 -3.299 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -2.338 4.893 -4.081 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -4.528 8.459 -3.496 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -4.368 3.805 -5.052 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.559 7.371 -4.467 1.00 0.00 H new ATOM 0 HZ PHE A 32 -6.454 5.059 -5.236 1.00 0.00 H new ATOM 445 N GLU A 33 -0.476 7.943 -5.871 1.00 0.00 N ATOM 446 CA GLU A 33 -0.529 8.040 -7.320 1.00 0.00 C ATOM 447 C GLU A 33 0.536 7.140 -7.951 1.00 0.00 C ATOM 448 O GLU A 33 0.270 6.456 -8.937 1.00 0.00 O ATOM 449 CB GLU A 33 -0.363 9.490 -7.778 1.00 0.00 C ATOM 450 CG GLU A 33 -1.669 10.033 -8.361 1.00 0.00 C ATOM 451 CD GLU A 33 -2.382 10.942 -7.357 1.00 0.00 C ATOM 452 OE1 GLU A 33 -2.978 10.449 -6.389 1.00 0.00 O ATOM 453 OE2 GLU A 33 -2.299 12.204 -7.611 1.00 0.00 O ATOM 0 H GLU A 33 -0.118 8.774 -5.401 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.509 7.698 -7.653 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.052 10.108 -6.936 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.427 9.551 -8.527 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.460 10.588 -9.275 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.322 9.204 -8.634 1.00 0.00 H new ATOM 461 N GLN A 34 1.719 7.171 -7.355 1.00 0.00 N ATOM 462 CA GLN A 34 2.825 6.367 -7.847 1.00 0.00 C ATOM 463 C GLN A 34 2.394 4.906 -7.997 1.00 0.00 C ATOM 464 O GLN A 34 2.856 4.209 -8.899 1.00 0.00 O ATOM 465 CB GLN A 34 4.042 6.487 -6.927 1.00 0.00 C ATOM 466 CG GLN A 34 4.606 7.909 -6.947 1.00 0.00 C ATOM 467 CD GLN A 34 4.693 8.444 -8.377 1.00 0.00 C ATOM 468 OE1 GLN A 34 5.004 7.731 -9.317 1.00 0.00 O ATOM 469 NE2 GLN A 34 4.402 9.737 -8.490 1.00 0.00 N ATOM 0 H GLN A 34 1.936 7.740 -6.537 1.00 0.00 H new ATOM 0 HA GLN A 34 3.113 6.743 -8.828 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.761 6.218 -5.909 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.811 5.782 -7.242 1.00 0.00 H new ATOM 0 HG2 GLN A 34 3.973 8.564 -6.348 1.00 0.00 H new ATOM 0 HG3 GLN A 34 5.596 7.918 -6.491 1.00 0.00 H new ATOM 0 HE21 GLN A 34 4.149 10.277 -7.662 1.00 0.00 H new ATOM 0 HE22 GLN A 34 4.432 10.188 -9.404 1.00 0.00 H new ATOM 478 N CYS A 35 1.512 4.488 -7.101 1.00 0.00 N ATOM 479 CA CYS A 35 1.014 3.123 -7.123 1.00 0.00 C ATOM 480 C CYS A 35 -0.197 3.069 -8.057 1.00 0.00 C ATOM 481 O CYS A 35 -1.239 2.522 -7.698 1.00 0.00 O ATOM 482 CB CYS A 35 0.673 2.623 -5.718 1.00 0.00 C ATOM 483 SG CYS A 35 1.611 3.427 -4.368 1.00 0.00 S ATOM 0 H CYS A 35 1.130 5.070 -6.356 1.00 0.00 H new ATOM 0 HA CYS A 35 1.791 2.456 -7.497 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.392 2.775 -5.542 1.00 0.00 H new ATOM 0 HB3 CYS A 35 0.853 1.549 -5.676 1.00 0.00 H new ATOM 0 HG CYS A 35 1.240 2.929 -3.226 1.00 0.00 H new ATOM 488 N GLN A 36 -0.020 3.644 -9.237 1.00 0.00 N ATOM 489 CA GLN A 36 -1.085 3.669 -10.225 1.00 0.00 C ATOM 490 C GLN A 36 -0.499 3.647 -11.638 1.00 0.00 C ATOM 491 O GLN A 36 -0.612 4.625 -12.376 1.00 0.00 O ATOM 492 CB GLN A 36 -1.990 4.886 -10.026 1.00 0.00 C ATOM 493 CG GLN A 36 -3.460 4.468 -9.937 1.00 0.00 C ATOM 494 CD GLN A 36 -4.319 5.602 -9.374 1.00 0.00 C ATOM 495 OE1 GLN A 36 -5.296 6.028 -9.967 1.00 0.00 O ATOM 496 NE2 GLN A 36 -3.902 6.064 -8.198 1.00 0.00 N ATOM 0 H GLN A 36 0.845 4.096 -9.531 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.697 2.777 -10.092 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -1.702 5.413 -9.116 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -1.856 5.583 -10.854 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -3.823 4.189 -10.926 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -3.553 3.587 -9.303 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -3.075 5.662 -7.756 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -4.409 6.820 -7.738 1.00 0.00 H new ATOM 505 N SER A 37 0.114 2.521 -11.973 1.00 0.00 N ATOM 506 CA SER A 37 0.719 2.360 -13.285 1.00 0.00 C ATOM 507 C SER A 37 1.120 0.899 -13.499 1.00 0.00 C ATOM 508 O SER A 37 0.487 0.185 -14.276 1.00 0.00 O ATOM 509 CB SER A 37 1.934 3.274 -13.447 1.00 0.00 C ATOM 510 OG SER A 37 2.478 3.210 -14.763 1.00 0.00 O ATOM 0 H SER A 37 0.205 1.712 -11.359 1.00 0.00 H new ATOM 0 HA SER A 37 -0.016 2.643 -14.039 1.00 0.00 H new ATOM 0 HB2 SER A 37 1.647 4.301 -13.223 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.699 2.991 -12.724 1.00 0.00 H new ATOM 0 HG SER A 37 3.251 3.809 -14.827 1.00 0.00 H new ATOM 516 N CYS A 38 2.170 0.498 -12.797 1.00 0.00 N ATOM 517 CA CYS A 38 2.663 -0.865 -12.901 1.00 0.00 C ATOM 518 C CYS A 38 1.637 -1.798 -12.256 1.00 0.00 C ATOM 519 O CYS A 38 1.735 -3.017 -12.384 1.00 0.00 O ATOM 520 CB CYS A 38 4.048 -1.015 -12.268 1.00 0.00 C ATOM 521 SG CYS A 38 5.072 0.454 -12.647 1.00 0.00 S ATOM 0 H CYS A 38 2.693 1.093 -12.154 1.00 0.00 H new ATOM 0 HA CYS A 38 2.785 -1.131 -13.951 1.00 0.00 H new ATOM 0 HB2 CYS A 38 3.953 -1.133 -11.189 1.00 0.00 H new ATOM 0 HB3 CYS A 38 4.534 -1.915 -12.646 1.00 0.00 H new ATOM 0 HG CYS A 38 6.245 0.317 -12.103 1.00 0.00 H new ATOM 526 N HIS A 39 0.675 -1.189 -11.577 1.00 0.00 N ATOM 527 CA HIS A 39 -0.368 -1.951 -10.912 1.00 0.00 C ATOM 528 C HIS A 39 -1.729 -1.590 -11.512 1.00 0.00 C ATOM 529 O HIS A 39 -2.185 -2.233 -12.457 1.00 0.00 O ATOM 530 CB HIS A 39 -0.314 -1.739 -9.398 1.00 0.00 C ATOM 531 CG HIS A 39 0.917 -2.317 -8.741 1.00 0.00 C ATOM 532 ND1 HIS A 39 1.206 -3.670 -8.750 1.00 0.00 N ATOM 533 CD2 HIS A 39 1.930 -1.711 -8.057 1.00 0.00 C ATOM 534 CE1 HIS A 39 2.344 -3.859 -8.097 1.00 0.00 C ATOM 535 NE2 HIS A 39 2.790 -2.644 -7.667 1.00 0.00 N ATOM 0 H HIS A 39 0.596 -0.177 -11.473 1.00 0.00 H new ATOM 0 HA HIS A 39 -0.207 -3.016 -11.078 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -0.357 -0.670 -9.189 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -1.199 -2.188 -8.947 1.00 0.00 H new ATOM 0 HD2 HIS A 39 2.017 -0.652 -7.865 1.00 0.00 H new ATOM 0 HE1 HIS A 39 2.832 -4.808 -7.934 1.00 0.00 H new ATOM 0 HE2 HIS A 39 3.644 -2.479 -7.134 1.00 0.00 H new ATOM 543 N GLY A 40 -2.338 -0.562 -10.940 1.00 0.00 N ATOM 544 CA GLY A 40 -3.637 -0.108 -11.407 1.00 0.00 C ATOM 545 C GLY A 40 -4.384 0.645 -10.304 1.00 0.00 C ATOM 546 O GLY A 40 -3.763 1.230 -9.417 1.00 0.00 O ATOM 0 H GLY A 40 -1.956 -0.031 -10.158 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.509 0.541 -12.273 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.229 -0.963 -11.734 1.00 0.00 H new ATOM 550 N SER A 41 -5.705 0.605 -10.394 1.00 0.00 N ATOM 551 CA SER A 41 -6.543 1.277 -9.415 1.00 0.00 C ATOM 552 C SER A 41 -7.336 0.246 -8.610 1.00 0.00 C ATOM 553 O SER A 41 -7.673 -0.821 -9.122 1.00 0.00 O ATOM 554 CB SER A 41 -7.493 2.268 -10.090 1.00 0.00 C ATOM 555 OG SER A 41 -8.682 2.470 -9.331 1.00 0.00 O ATOM 0 H SER A 41 -6.216 0.118 -11.130 1.00 0.00 H new ATOM 0 HA SER A 41 -5.897 1.838 -8.739 1.00 0.00 H new ATOM 0 HB2 SER A 41 -6.984 3.222 -10.227 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.755 1.901 -11.082 1.00 0.00 H new ATOM 0 HG SER A 41 -9.261 3.110 -9.795 1.00 0.00 H new ATOM 561 N LEU A 42 -7.611 0.600 -7.363 1.00 0.00 N ATOM 562 CA LEU A 42 -8.358 -0.282 -6.482 1.00 0.00 C ATOM 563 C LEU A 42 -9.706 -0.613 -7.124 1.00 0.00 C ATOM 564 O LEU A 42 -10.257 -1.691 -6.900 1.00 0.00 O ATOM 565 CB LEU A 42 -8.476 0.331 -5.085 1.00 0.00 C ATOM 566 CG LEU A 42 -7.162 0.753 -4.425 1.00 0.00 C ATOM 567 CD1 LEU A 42 -7.335 2.058 -3.645 1.00 0.00 C ATOM 568 CD2 LEU A 42 -6.603 -0.369 -3.548 1.00 0.00 C ATOM 0 H LEU A 42 -7.330 1.485 -6.942 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.828 -1.225 -6.347 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -9.126 1.204 -5.147 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -8.971 -0.390 -4.434 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.430 0.942 -5.211 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.386 2.336 -3.186 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.654 2.848 -4.324 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.088 1.921 -2.869 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.669 -0.042 -3.091 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.323 -0.613 -2.767 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.418 -1.252 -4.160 1.00 0.00 H new ATOM 580 N ALA A 43 -10.200 0.332 -7.910 1.00 0.00 N ATOM 581 CA ALA A 43 -11.474 0.154 -8.586 1.00 0.00 C ATOM 582 C ALA A 43 -11.305 -0.853 -9.726 1.00 0.00 C ATOM 583 O ALA A 43 -12.278 -1.224 -10.381 1.00 0.00 O ATOM 584 CB ALA A 43 -11.986 1.509 -9.076 1.00 0.00 C ATOM 0 H ALA A 43 -9.741 1.224 -8.094 1.00 0.00 H new ATOM 0 HA ALA A 43 -12.220 -0.247 -7.900 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -12.942 1.375 -9.583 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -12.117 2.178 -8.225 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.265 1.941 -9.770 1.00 0.00 H new ATOM 590 N GLU A 44 -10.063 -1.267 -9.928 1.00 0.00 N ATOM 591 CA GLU A 44 -9.754 -2.223 -10.977 1.00 0.00 C ATOM 592 C GLU A 44 -9.085 -3.464 -10.384 1.00 0.00 C ATOM 593 O GLU A 44 -8.329 -4.153 -11.068 1.00 0.00 O ATOM 594 CB GLU A 44 -8.874 -1.588 -12.056 1.00 0.00 C ATOM 595 CG GLU A 44 -9.723 -1.038 -13.203 1.00 0.00 C ATOM 596 CD GLU A 44 -8.918 -0.061 -14.062 1.00 0.00 C ATOM 597 OE1 GLU A 44 -8.546 1.022 -13.586 1.00 0.00 O ATOM 598 OE2 GLU A 44 -8.680 -0.461 -15.265 1.00 0.00 O ATOM 0 H GLU A 44 -9.259 -0.958 -9.383 1.00 0.00 H new ATOM 0 HA GLU A 44 -10.688 -2.529 -11.450 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.281 -0.784 -11.620 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -8.173 -2.329 -12.441 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -10.082 -1.861 -13.821 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -10.602 -0.535 -12.800 1.00 0.00 H new ATOM 606 N MET A 45 -9.387 -3.712 -9.118 1.00 0.00 N ATOM 607 CA MET A 45 -8.824 -4.859 -8.425 1.00 0.00 C ATOM 608 C MET A 45 -9.927 -5.805 -7.946 1.00 0.00 C ATOM 609 O MET A 45 -11.095 -5.627 -8.288 1.00 0.00 O ATOM 610 CB MET A 45 -8.005 -4.379 -7.225 1.00 0.00 C ATOM 611 CG MET A 45 -6.826 -3.514 -7.676 1.00 0.00 C ATOM 612 SD MET A 45 -5.521 -3.579 -6.460 1.00 0.00 S ATOM 613 CE MET A 45 -4.508 -2.220 -7.020 1.00 0.00 C ATOM 0 H MET A 45 -10.014 -3.138 -8.554 1.00 0.00 H new ATOM 0 HA MET A 45 -8.183 -5.401 -9.120 1.00 0.00 H new ATOM 0 HB2 MET A 45 -8.643 -3.808 -6.550 1.00 0.00 H new ATOM 0 HB3 MET A 45 -7.637 -5.238 -6.664 1.00 0.00 H new ATOM 0 HG2 MET A 45 -6.455 -3.864 -8.639 1.00 0.00 H new ATOM 0 HG3 MET A 45 -7.153 -2.484 -7.816 1.00 0.00 H new ATOM 0 HE1 MET A 45 -3.641 -2.119 -6.367 1.00 0.00 H new ATOM 0 HE2 MET A 45 -4.173 -2.412 -8.040 1.00 0.00 H new ATOM 0 HE3 MET A 45 -5.090 -1.299 -6.996 1.00 0.00 H new ATOM 623 N ASP A 46 -9.516 -6.791 -7.161 1.00 0.00 N ATOM 624 CA ASP A 46 -10.455 -7.766 -6.631 1.00 0.00 C ATOM 625 C ASP A 46 -11.592 -7.035 -5.914 1.00 0.00 C ATOM 626 O ASP A 46 -11.581 -5.809 -5.815 1.00 0.00 O ATOM 627 CB ASP A 46 -9.775 -8.690 -5.619 1.00 0.00 C ATOM 628 CG ASP A 46 -8.288 -8.946 -5.873 1.00 0.00 C ATOM 629 OD1 ASP A 46 -7.788 -8.749 -6.991 1.00 0.00 O ATOM 630 OD2 ASP A 46 -7.626 -9.370 -4.851 1.00 0.00 O ATOM 0 H ASP A 46 -8.546 -6.936 -6.880 1.00 0.00 H new ATOM 0 HA ASP A 46 -10.833 -8.359 -7.464 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -9.889 -8.260 -4.624 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -10.297 -9.647 -5.615 1.00 0.00 H new ATOM 636 N ASP A 47 -12.545 -7.819 -5.433 1.00 0.00 N ATOM 637 CA ASP A 47 -13.687 -7.261 -4.728 1.00 0.00 C ATOM 638 C ASP A 47 -13.290 -6.957 -3.282 1.00 0.00 C ATOM 639 O ASP A 47 -14.129 -6.562 -2.474 1.00 0.00 O ATOM 640 CB ASP A 47 -14.853 -8.252 -4.699 1.00 0.00 C ATOM 641 CG ASP A 47 -15.659 -8.340 -5.997 1.00 0.00 C ATOM 642 OD1 ASP A 47 -16.641 -7.608 -6.191 1.00 0.00 O ATOM 643 OD2 ASP A 47 -15.236 -9.218 -6.843 1.00 0.00 O ATOM 0 H ASP A 47 -12.550 -8.836 -5.517 1.00 0.00 H new ATOM 0 HA ASP A 47 -13.995 -6.355 -5.249 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -14.463 -9.242 -4.463 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -15.527 -7.974 -3.889 1.00 0.00 H new ATOM 649 N ASN A 48 -12.010 -7.152 -3.000 1.00 0.00 N ATOM 650 CA ASN A 48 -11.491 -6.903 -1.666 1.00 0.00 C ATOM 651 C ASN A 48 -10.803 -5.537 -1.638 1.00 0.00 C ATOM 652 O ASN A 48 -10.677 -4.923 -0.580 1.00 0.00 O ATOM 653 CB ASN A 48 -10.460 -7.961 -1.270 1.00 0.00 C ATOM 654 CG ASN A 48 -11.012 -9.372 -1.482 1.00 0.00 C ATOM 655 OD1 ASN A 48 -12.164 -9.570 -1.831 1.00 0.00 O ATOM 656 ND2 ASN A 48 -10.128 -10.339 -1.253 1.00 0.00 N ATOM 0 H ASN A 48 -11.317 -7.480 -3.673 1.00 0.00 H new ATOM 0 HA ASN A 48 -12.327 -6.936 -0.967 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -9.553 -7.829 -1.860 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -10.182 -7.829 -0.224 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -10.399 -11.316 -1.367 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -9.179 -10.104 -0.963 1.00 0.00 H new ATOM 663 N HIS A 49 -10.374 -5.102 -2.814 1.00 0.00 N ATOM 664 CA HIS A 49 -9.701 -3.820 -2.937 1.00 0.00 C ATOM 665 C HIS A 49 -10.713 -2.746 -3.341 1.00 0.00 C ATOM 666 O HIS A 49 -10.658 -1.620 -2.850 1.00 0.00 O ATOM 667 CB HIS A 49 -8.521 -3.917 -3.906 1.00 0.00 C ATOM 668 CG HIS A 49 -7.287 -4.551 -3.309 1.00 0.00 C ATOM 669 ND1 HIS A 49 -7.135 -5.921 -3.181 1.00 0.00 N ATOM 670 CD2 HIS A 49 -6.150 -3.989 -2.808 1.00 0.00 C ATOM 671 CE1 HIS A 49 -5.957 -6.161 -2.626 1.00 0.00 C ATOM 672 NE2 HIS A 49 -5.347 -4.962 -2.395 1.00 0.00 N ATOM 0 H HIS A 49 -10.479 -5.614 -3.690 1.00 0.00 H new ATOM 0 HA HIS A 49 -9.282 -3.531 -1.973 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -8.827 -4.494 -4.779 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -8.269 -2.916 -4.257 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -7.815 -6.626 -3.466 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -5.939 -2.931 -2.756 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -5.550 -7.135 -2.396 1.00 0.00 H new ATOM 680 N LYS A 50 -11.614 -3.133 -4.233 1.00 0.00 N ATOM 681 CA LYS A 50 -12.637 -2.217 -4.709 1.00 0.00 C ATOM 682 C LYS A 50 -13.273 -1.504 -3.514 1.00 0.00 C ATOM 683 O LYS A 50 -13.098 -0.306 -3.300 1.00 0.00 O ATOM 684 CB LYS A 50 -13.646 -2.953 -5.593 1.00 0.00 C ATOM 685 CG LYS A 50 -13.196 -2.950 -7.056 1.00 0.00 C ATOM 686 CD LYS A 50 -14.227 -3.647 -7.947 1.00 0.00 C ATOM 687 CE LYS A 50 -13.686 -4.977 -8.475 1.00 0.00 C ATOM 688 NZ LYS A 50 -14.773 -5.772 -9.089 1.00 0.00 N ATOM 0 H LYS A 50 -11.657 -4.068 -4.638 1.00 0.00 H new ATOM 0 HA LYS A 50 -12.194 -1.448 -5.342 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -13.759 -3.980 -5.245 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -14.624 -2.479 -5.508 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -13.052 -1.924 -7.394 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -12.233 -3.453 -7.145 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -15.143 -3.821 -7.382 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -14.488 -2.999 -8.784 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -12.903 -4.792 -9.210 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -13.231 -5.540 -7.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -14.388 -6.671 -9.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -15.507 -5.965 -8.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -15.189 -5.239 -9.879 1.00 0.00 H new ATOM 701 N PRO A 51 -14.025 -2.279 -2.729 1.00 0.00 N ATOM 702 CA PRO A 51 -14.717 -1.814 -1.546 1.00 0.00 C ATOM 703 C PRO A 51 -13.954 -0.648 -0.933 1.00 0.00 C ATOM 704 O PRO A 51 -14.579 0.351 -0.581 1.00 0.00 O ATOM 705 CB PRO A 51 -14.731 -3.015 -0.603 1.00 0.00 C ATOM 706 CG PRO A 51 -14.808 -4.213 -1.628 1.00 0.00 C ATOM 707 CD PRO A 51 -14.252 -3.690 -2.950 1.00 0.00 C ATOM 0 HA PRO A 51 -15.726 -1.459 -1.757 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -13.836 -3.061 0.017 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -15.586 -2.997 0.073 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -14.228 -5.065 -1.273 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -15.836 -4.555 -1.748 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -13.328 -4.201 -3.219 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -14.956 -3.853 -3.766 1.00 0.00 H new ATOM 715 N HIS A 52 -12.642 -0.793 -0.816 1.00 0.00 N ATOM 716 CA HIS A 52 -11.821 0.259 -0.242 1.00 0.00 C ATOM 717 C HIS A 52 -11.636 1.381 -1.266 1.00 0.00 C ATOM 718 O HIS A 52 -11.872 2.549 -0.962 1.00 0.00 O ATOM 719 CB HIS A 52 -10.493 -0.304 0.268 1.00 0.00 C ATOM 720 CG HIS A 52 -10.630 -1.199 1.477 1.00 0.00 C ATOM 721 ND1 HIS A 52 -10.243 -2.528 1.473 1.00 0.00 N ATOM 722 CD2 HIS A 52 -11.112 -0.941 2.726 1.00 0.00 C ATOM 723 CE1 HIS A 52 -10.488 -3.038 2.671 1.00 0.00 C ATOM 724 NE2 HIS A 52 -11.026 -2.053 3.446 1.00 0.00 N ATOM 0 H HIS A 52 -12.127 -1.623 -1.109 1.00 0.00 H new ATOM 0 HA HIS A 52 -12.324 0.685 0.626 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -10.016 -0.866 -0.535 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -9.830 0.525 0.515 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -9.838 -3.029 0.682 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -11.498 0.007 3.071 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -10.296 -4.055 2.980 1.00 0.00 H new ATOM 732 N ASP A 53 -11.214 0.986 -2.458 1.00 0.00 N ATOM 733 CA ASP A 53 -10.994 1.944 -3.529 1.00 0.00 C ATOM 734 C ASP A 53 -11.755 3.234 -3.218 1.00 0.00 C ATOM 735 O ASP A 53 -12.982 3.267 -3.286 1.00 0.00 O ATOM 736 CB ASP A 53 -11.507 1.403 -4.865 1.00 0.00 C ATOM 737 CG ASP A 53 -11.308 2.338 -6.060 1.00 0.00 C ATOM 738 OD1 ASP A 53 -10.201 2.447 -6.608 1.00 0.00 O ATOM 739 OD2 ASP A 53 -12.363 2.980 -6.431 1.00 0.00 O ATOM 0 H ASP A 53 -11.019 0.016 -2.706 1.00 0.00 H new ATOM 0 HA ASP A 53 -9.922 2.128 -3.602 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -11.005 0.458 -5.074 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -12.570 1.184 -4.767 1.00 0.00 H new ATOM 745 N GLY A 54 -10.993 4.266 -2.883 1.00 0.00 N ATOM 746 CA GLY A 54 -11.580 5.555 -2.561 1.00 0.00 C ATOM 747 C GLY A 54 -11.832 5.683 -1.058 1.00 0.00 C ATOM 748 O GLY A 54 -12.925 6.059 -0.637 1.00 0.00 O ATOM 0 H GLY A 54 -9.975 4.235 -2.828 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -10.916 6.354 -2.891 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -12.518 5.677 -3.102 1.00 0.00 H new ATOM 752 N LEU A 55 -10.801 5.365 -0.289 1.00 0.00 N ATOM 753 CA LEU A 55 -10.896 5.439 1.159 1.00 0.00 C ATOM 754 C LEU A 55 -9.492 5.568 1.753 1.00 0.00 C ATOM 755 O LEU A 55 -9.151 6.597 2.334 1.00 0.00 O ATOM 756 CB LEU A 55 -11.688 4.250 1.706 1.00 0.00 C ATOM 757 CG LEU A 55 -13.180 4.490 1.944 1.00 0.00 C ATOM 758 CD1 LEU A 55 -13.883 3.199 2.369 1.00 0.00 C ATOM 759 CD2 LEU A 55 -13.400 5.621 2.951 1.00 0.00 C ATOM 0 H LEU A 55 -9.895 5.055 -0.642 1.00 0.00 H new ATOM 0 HA LEU A 55 -11.452 6.328 1.458 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -11.581 3.417 1.011 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -11.235 3.940 2.648 1.00 0.00 H new ATOM 0 HG LEU A 55 -13.629 4.806 1.002 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -14.942 3.398 2.532 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -13.771 2.449 1.586 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -13.437 2.829 3.292 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -14.469 5.771 3.102 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -12.933 5.359 3.900 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -12.955 6.540 2.569 1.00 0.00 H new ATOM 771 N LEU A 56 -8.714 4.508 1.586 1.00 0.00 N ATOM 772 CA LEU A 56 -7.354 4.490 2.097 1.00 0.00 C ATOM 773 C LEU A 56 -6.397 4.084 0.975 1.00 0.00 C ATOM 774 O LEU A 56 -6.753 3.286 0.109 1.00 0.00 O ATOM 775 CB LEU A 56 -7.261 3.599 3.338 1.00 0.00 C ATOM 776 CG LEU A 56 -7.108 2.099 3.076 1.00 0.00 C ATOM 777 CD1 LEU A 56 -6.022 1.495 3.968 1.00 0.00 C ATOM 778 CD2 LEU A 56 -8.448 1.376 3.235 1.00 0.00 C ATOM 0 H LEU A 56 -9.000 3.656 1.104 1.00 0.00 H new ATOM 0 HA LEU A 56 -7.056 5.486 2.424 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.413 3.931 3.937 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.157 3.753 3.940 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.789 1.963 2.043 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.934 0.428 3.762 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.070 1.984 3.764 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.288 1.641 5.015 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.312 0.312 3.044 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -8.820 1.518 4.250 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -9.168 1.783 2.525 1.00 0.00 H new ATOM 790 N MET A 57 -5.201 4.652 1.026 1.00 0.00 N ATOM 791 CA MET A 57 -4.190 4.359 0.024 1.00 0.00 C ATOM 792 C MET A 57 -3.625 2.950 0.212 1.00 0.00 C ATOM 793 O MET A 57 -4.030 2.231 1.124 1.00 0.00 O ATOM 794 CB MET A 57 -3.057 5.382 0.129 1.00 0.00 C ATOM 795 CG MET A 57 -2.174 5.100 1.346 1.00 0.00 C ATOM 796 SD MET A 57 -1.639 6.636 2.081 1.00 0.00 S ATOM 797 CE MET A 57 -0.561 7.237 0.792 1.00 0.00 C ATOM 0 H MET A 57 -4.909 5.314 1.745 1.00 0.00 H new ATOM 0 HA MET A 57 -4.653 4.416 -0.961 1.00 0.00 H new ATOM 0 HB2 MET A 57 -2.452 5.354 -0.778 1.00 0.00 H new ATOM 0 HB3 MET A 57 -3.475 6.386 0.203 1.00 0.00 H new ATOM 0 HG2 MET A 57 -2.726 4.510 2.078 1.00 0.00 H new ATOM 0 HG3 MET A 57 -1.308 4.509 1.048 1.00 0.00 H new ATOM 0 HE1 MET A 57 0.035 8.066 1.173 1.00 0.00 H new ATOM 0 HE2 MET A 57 0.100 6.434 0.467 1.00 0.00 H new ATOM 0 HE3 MET A 57 -1.159 7.579 -0.052 1.00 0.00 H new ATOM 807 N CYS A 58 -2.698 2.597 -0.667 1.00 0.00 N ATOM 808 CA CYS A 58 -2.073 1.287 -0.610 1.00 0.00 C ATOM 809 C CYS A 58 -1.260 1.198 0.683 1.00 0.00 C ATOM 810 O CYS A 58 -1.653 0.506 1.621 1.00 0.00 O ATOM 811 CB CYS A 58 -1.212 1.017 -1.846 1.00 0.00 C ATOM 812 SG CYS A 58 -1.963 1.534 -3.433 1.00 0.00 S ATOM 0 H CYS A 58 -2.365 3.196 -1.423 1.00 0.00 H new ATOM 0 HA CYS A 58 -2.842 0.514 -0.608 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -0.259 1.532 -1.727 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -0.994 -0.050 -1.894 1.00 0.00 H new ATOM 0 HG CYS A 58 -1.252 1.074 -4.420 1.00 0.00 H new ATOM 817 N ALA A 59 -0.141 1.908 0.690 1.00 0.00 N ATOM 818 CA ALA A 59 0.730 1.918 1.853 1.00 0.00 C ATOM 819 C ALA A 59 -0.114 1.769 3.120 1.00 0.00 C ATOM 820 O ALA A 59 0.115 0.863 3.920 1.00 0.00 O ATOM 821 CB ALA A 59 1.564 3.201 1.855 1.00 0.00 C ATOM 0 H ALA A 59 0.182 2.480 -0.090 1.00 0.00 H new ATOM 0 HA ALA A 59 1.424 1.078 1.820 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.217 3.209 2.727 1.00 0.00 H new ATOM 0 HB2 ALA A 59 2.168 3.244 0.949 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.901 4.066 1.890 1.00 0.00 H new ATOM 827 N ASP A 60 -1.074 2.671 3.263 1.00 0.00 N ATOM 828 CA ASP A 60 -1.953 2.651 4.419 1.00 0.00 C ATOM 829 C ASP A 60 -2.159 1.205 4.873 1.00 0.00 C ATOM 830 O ASP A 60 -2.215 0.929 6.070 1.00 0.00 O ATOM 831 CB ASP A 60 -3.324 3.239 4.078 1.00 0.00 C ATOM 832 CG ASP A 60 -3.457 4.746 4.308 1.00 0.00 C ATOM 833 OD1 ASP A 60 -2.472 5.435 4.613 1.00 0.00 O ATOM 834 OD2 ASP A 60 -4.649 5.217 4.160 1.00 0.00 O ATOM 0 H ASP A 60 -1.262 3.420 2.597 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.490 3.247 5.205 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.544 3.026 3.032 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.080 2.728 4.674 1.00 0.00 H new ATOM 840 N CYS A 61 -2.266 0.320 3.893 1.00 0.00 N ATOM 841 CA CYS A 61 -2.465 -1.091 4.177 1.00 0.00 C ATOM 842 C CYS A 61 -1.131 -1.814 3.975 1.00 0.00 C ATOM 843 O CYS A 61 -0.629 -2.464 4.890 1.00 0.00 O ATOM 844 CB CYS A 61 -3.576 -1.691 3.313 1.00 0.00 C ATOM 845 SG CYS A 61 -5.100 -1.892 4.305 1.00 0.00 S ATOM 0 H CYS A 61 -2.219 0.553 2.901 1.00 0.00 H new ATOM 0 HA CYS A 61 -2.792 -1.214 5.210 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -3.772 -1.045 2.457 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -3.260 -2.656 2.918 1.00 0.00 H new ATOM 0 HG CYS A 61 -6.038 -2.400 3.562 1.00 0.00 H new ATOM 850 N HIS A 62 -0.596 -1.675 2.771 1.00 0.00 N ATOM 851 CA HIS A 62 0.669 -2.306 2.437 1.00 0.00 C ATOM 852 C HIS A 62 1.825 -1.435 2.934 1.00 0.00 C ATOM 853 O HIS A 62 2.680 -1.025 2.150 1.00 0.00 O ATOM 854 CB HIS A 62 0.751 -2.601 0.938 1.00 0.00 C ATOM 855 CG HIS A 62 -0.325 -3.533 0.436 1.00 0.00 C ATOM 856 ND1 HIS A 62 -0.469 -4.830 0.897 1.00 0.00 N ATOM 857 CD2 HIS A 62 -1.308 -3.344 -0.491 1.00 0.00 C ATOM 858 CE1 HIS A 62 -1.494 -5.387 0.269 1.00 0.00 C ATOM 859 NE2 HIS A 62 -2.012 -4.464 -0.591 1.00 0.00 N ATOM 0 H HIS A 62 -1.016 -1.134 2.015 1.00 0.00 H new ATOM 0 HA HIS A 62 0.743 -3.269 2.942 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.688 -1.661 0.389 1.00 0.00 H new ATOM 0 HB3 HIS A 62 1.726 -3.035 0.716 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -1.483 -2.436 -1.049 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -1.856 -6.394 0.413 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -2.810 -4.611 -1.210 1.00 0.00 H new ATOM 867 N ALA A 63 1.813 -1.177 4.233 1.00 0.00 N ATOM 868 CA ALA A 63 2.849 -0.362 4.844 1.00 0.00 C ATOM 869 C ALA A 63 4.215 -0.799 4.312 1.00 0.00 C ATOM 870 O ALA A 63 4.789 -1.802 4.731 1.00 0.00 O ATOM 871 CB ALA A 63 2.754 -0.472 6.367 1.00 0.00 C ATOM 0 H ALA A 63 1.102 -1.518 4.880 1.00 0.00 H new ATOM 0 HA ALA A 63 2.714 0.688 4.584 1.00 0.00 H new ATOM 0 HB1 ALA A 63 3.531 0.139 6.825 1.00 0.00 H new ATOM 0 HB2 ALA A 63 1.776 -0.122 6.697 1.00 0.00 H new ATOM 0 HB3 ALA A 63 2.887 -1.512 6.666 1.00 0.00 H new ATOM 877 N PRO A 64 4.730 -0.011 3.365 1.00 0.00 N ATOM 878 CA PRO A 64 6.009 -0.234 2.724 1.00 0.00 C ATOM 879 C PRO A 64 7.123 -0.119 3.755 1.00 0.00 C ATOM 880 O PRO A 64 7.885 -1.071 3.914 1.00 0.00 O ATOM 881 CB PRO A 64 6.118 0.870 1.674 1.00 0.00 C ATOM 882 CG PRO A 64 4.664 1.365 1.450 1.00 0.00 C ATOM 883 CD PRO A 64 4.083 1.176 2.850 1.00 0.00 C ATOM 0 HA PRO A 64 6.092 -1.224 2.275 1.00 0.00 H new ATOM 0 HB2 PRO A 64 6.761 1.680 2.020 1.00 0.00 H new ATOM 0 HB3 PRO A 64 6.552 0.492 0.748 1.00 0.00 H new ATOM 0 HG2 PRO A 64 4.626 2.404 1.123 1.00 0.00 H new ATOM 0 HG3 PRO A 64 4.137 0.775 0.700 1.00 0.00 H new ATOM 0 HD2 PRO A 64 4.285 2.041 3.481 1.00 0.00 H new ATOM 0 HD3 PRO A 64 3.001 1.052 2.815 1.00 0.00 H new ATOM 891 N HIS A 65 7.199 1.023 4.423 1.00 0.00 N ATOM 892 CA HIS A 65 8.227 1.236 5.427 1.00 0.00 C ATOM 893 C HIS A 65 7.824 0.540 6.729 1.00 0.00 C ATOM 894 O HIS A 65 7.683 1.188 7.765 1.00 0.00 O ATOM 895 CB HIS A 65 8.504 2.729 5.613 1.00 0.00 C ATOM 896 CG HIS A 65 9.193 3.377 4.436 1.00 0.00 C ATOM 897 ND1 HIS A 65 10.396 2.921 3.927 1.00 0.00 N ATOM 898 CD2 HIS A 65 8.834 4.450 3.674 1.00 0.00 C ATOM 899 CE1 HIS A 65 10.737 3.692 2.905 1.00 0.00 C ATOM 900 NE2 HIS A 65 9.769 4.640 2.751 1.00 0.00 N ATOM 0 H HIS A 65 6.565 1.811 4.288 1.00 0.00 H new ATOM 0 HA HIS A 65 9.165 0.791 5.093 1.00 0.00 H new ATOM 0 HB2 HIS A 65 7.561 3.243 5.797 1.00 0.00 H new ATOM 0 HB3 HIS A 65 9.120 2.866 6.502 1.00 0.00 H new ATOM 0 HD1 HIS A 65 10.930 2.126 4.279 1.00 0.00 H new ATOM 0 HD2 HIS A 65 7.941 5.044 3.800 1.00 0.00 H new ATOM 0 HE1 HIS A 65 11.626 3.588 2.300 1.00 0.00 H new ATOM 908 N GLU A 66 7.651 -0.770 6.634 1.00 0.00 N ATOM 909 CA GLU A 66 7.267 -1.560 7.791 1.00 0.00 C ATOM 910 C GLU A 66 6.962 -3.000 7.373 1.00 0.00 C ATOM 911 O GLU A 66 7.561 -3.941 7.891 1.00 0.00 O ATOM 912 CB GLU A 66 6.071 -0.933 8.511 1.00 0.00 C ATOM 913 CG GLU A 66 6.365 -0.747 10.001 1.00 0.00 C ATOM 914 CD GLU A 66 6.232 -2.072 10.756 1.00 0.00 C ATOM 915 OE1 GLU A 66 7.244 -2.645 11.185 1.00 0.00 O ATOM 916 OE2 GLU A 66 5.024 -2.503 10.891 1.00 0.00 O ATOM 0 H GLU A 66 7.770 -1.304 5.773 1.00 0.00 H new ATOM 0 HA GLU A 66 8.103 -1.575 8.490 1.00 0.00 H new ATOM 0 HB2 GLU A 66 5.835 0.031 8.060 1.00 0.00 H new ATOM 0 HB3 GLU A 66 5.193 -1.567 8.386 1.00 0.00 H new ATOM 0 HG2 GLU A 66 7.372 -0.350 10.130 1.00 0.00 H new ATOM 0 HG3 GLU A 66 5.677 -0.014 10.422 1.00 0.00 H new ATOM 924 N ALA A 67 6.030 -3.127 6.439 1.00 0.00 N ATOM 925 CA ALA A 67 5.639 -4.436 5.946 1.00 0.00 C ATOM 926 C ALA A 67 6.774 -5.019 5.103 1.00 0.00 C ATOM 927 O ALA A 67 7.618 -4.282 4.597 1.00 0.00 O ATOM 928 CB ALA A 67 4.332 -4.315 5.160 1.00 0.00 C ATOM 0 H ALA A 67 5.535 -2.345 6.011 1.00 0.00 H new ATOM 0 HA ALA A 67 5.460 -5.121 6.775 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.038 -5.297 4.790 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.551 -3.924 5.811 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.475 -3.638 4.318 1.00 0.00 H new ATOM 934 N LYS A 68 6.759 -6.338 4.979 1.00 0.00 N ATOM 935 CA LYS A 68 7.777 -7.029 4.206 1.00 0.00 C ATOM 936 C LYS A 68 7.106 -7.836 3.092 1.00 0.00 C ATOM 937 O LYS A 68 6.085 -8.483 3.319 1.00 0.00 O ATOM 938 CB LYS A 68 8.667 -7.870 5.123 1.00 0.00 C ATOM 939 CG LYS A 68 7.931 -8.241 6.412 1.00 0.00 C ATOM 940 CD LYS A 68 8.759 -9.213 7.256 1.00 0.00 C ATOM 941 CE LYS A 68 7.903 -10.384 7.741 1.00 0.00 C ATOM 942 NZ LYS A 68 7.851 -10.411 9.220 1.00 0.00 N ATOM 0 H LYS A 68 6.058 -6.947 5.401 1.00 0.00 H new ATOM 0 HA LYS A 68 8.442 -6.312 3.725 1.00 0.00 H new ATOM 0 HB2 LYS A 68 8.977 -8.777 4.603 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.574 -7.315 5.364 1.00 0.00 H new ATOM 0 HG2 LYS A 68 7.723 -7.340 6.988 1.00 0.00 H new ATOM 0 HG3 LYS A 68 6.969 -8.693 6.169 1.00 0.00 H new ATOM 0 HD2 LYS A 68 9.596 -9.589 6.668 1.00 0.00 H new ATOM 0 HD3 LYS A 68 9.182 -8.688 8.112 1.00 0.00 H new ATOM 0 HE2 LYS A 68 6.894 -10.296 7.337 1.00 0.00 H new ATOM 0 HE3 LYS A 68 8.315 -11.322 7.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 7.266 -11.212 9.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 8.814 -10.517 9.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 7.437 -9.523 9.569 1.00 0.00 H new ATOM 955 N VAL A 69 7.707 -7.770 1.913 1.00 0.00 N ATOM 956 CA VAL A 69 7.181 -8.486 0.764 1.00 0.00 C ATOM 957 C VAL A 69 6.591 -9.820 1.226 1.00 0.00 C ATOM 958 O VAL A 69 7.236 -10.568 1.959 1.00 0.00 O ATOM 959 CB VAL A 69 8.273 -8.651 -0.295 1.00 0.00 C ATOM 960 CG1 VAL A 69 8.022 -9.892 -1.153 1.00 0.00 C ATOM 961 CG2 VAL A 69 8.387 -7.397 -1.164 1.00 0.00 C ATOM 0 H VAL A 69 8.553 -7.231 1.729 1.00 0.00 H new ATOM 0 HA VAL A 69 6.376 -7.919 0.297 1.00 0.00 H new ATOM 0 HB VAL A 69 9.223 -8.788 0.222 1.00 0.00 H new ATOM 0 HG11 VAL A 69 8.813 -9.986 -1.897 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.015 -10.778 -0.518 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.059 -9.798 -1.656 1.00 0.00 H new ATOM 0 HG21 VAL A 69 9.170 -7.540 -1.909 1.00 0.00 H new ATOM 0 HG22 VAL A 69 7.437 -7.215 -1.667 1.00 0.00 H new ATOM 0 HG23 VAL A 69 8.635 -6.541 -0.537 1.00 0.00 H new ATOM 971 N GLY A 70 5.371 -10.077 0.779 1.00 0.00 N ATOM 972 CA GLY A 70 4.686 -11.308 1.137 1.00 0.00 C ATOM 973 C GLY A 70 4.007 -11.180 2.502 1.00 0.00 C ATOM 974 O GLY A 70 3.998 -12.128 3.286 1.00 0.00 O ATOM 0 H GLY A 70 4.839 -9.454 0.172 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.942 -11.548 0.378 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.399 -12.132 1.157 1.00 0.00 H new ATOM 978 N GLU A 71 3.455 -10.000 2.745 1.00 0.00 N ATOM 979 CA GLU A 71 2.776 -9.736 4.002 1.00 0.00 C ATOM 980 C GLU A 71 1.259 -9.780 3.805 1.00 0.00 C ATOM 981 O GLU A 71 0.753 -9.376 2.759 1.00 0.00 O ATOM 982 CB GLU A 71 3.213 -8.393 4.590 1.00 0.00 C ATOM 983 CG GLU A 71 2.717 -8.237 6.029 1.00 0.00 C ATOM 984 CD GLU A 71 2.433 -6.769 6.355 1.00 0.00 C ATOM 985 OE1 GLU A 71 1.571 -6.148 5.716 1.00 0.00 O ATOM 986 OE2 GLU A 71 3.145 -6.275 7.311 1.00 0.00 O ATOM 0 H GLU A 71 3.464 -9.216 2.092 1.00 0.00 H new ATOM 0 HA GLU A 71 3.054 -10.514 4.713 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.300 -8.318 4.566 1.00 0.00 H new ATOM 0 HB3 GLU A 71 2.824 -7.580 3.977 1.00 0.00 H new ATOM 0 HG2 GLU A 71 1.811 -8.827 6.171 1.00 0.00 H new ATOM 0 HG3 GLU A 71 3.464 -8.629 6.719 1.00 0.00 H new ATOM 994 N LYS A 72 0.576 -10.276 4.826 1.00 0.00 N ATOM 995 CA LYS A 72 -0.872 -10.378 4.779 1.00 0.00 C ATOM 996 C LYS A 72 -1.478 -9.490 5.867 1.00 0.00 C ATOM 997 O LYS A 72 -1.704 -9.909 7.000 1.00 0.00 O ATOM 998 CB LYS A 72 -1.309 -11.842 4.865 1.00 0.00 C ATOM 999 CG LYS A 72 -1.105 -12.555 3.527 1.00 0.00 C ATOM 1000 CD LYS A 72 -2.270 -13.500 3.226 1.00 0.00 C ATOM 1001 CE LYS A 72 -1.764 -14.844 2.698 1.00 0.00 C ATOM 1002 NZ LYS A 72 -1.836 -15.877 3.755 1.00 0.00 N ATOM 0 H LYS A 72 0.999 -10.612 5.691 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.249 -10.013 3.824 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.739 -12.350 5.643 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.359 -11.895 5.153 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.014 -11.819 2.729 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.172 -13.118 3.549 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -2.857 -13.658 4.130 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.933 -13.043 2.491 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.361 -15.152 1.839 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.736 -14.741 2.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -1.489 -16.783 3.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.248 -15.589 4.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.822 -15.987 4.067 1.00 0.00 H new ATOM 1015 N PRO A 73 -1.740 -8.236 5.492 1.00 0.00 N ATOM 1016 CA PRO A 73 -2.314 -7.228 6.357 1.00 0.00 C ATOM 1017 C PRO A 73 -3.525 -7.804 7.077 1.00 0.00 C ATOM 1018 O PRO A 73 -4.331 -8.478 6.438 1.00 0.00 O ATOM 1019 CB PRO A 73 -2.723 -6.094 5.420 1.00 0.00 C ATOM 1020 CG PRO A 73 -1.673 -6.201 4.301 1.00 0.00 C ATOM 1021 CD PRO A 73 -1.487 -7.710 4.168 1.00 0.00 C ATOM 0 HA PRO A 73 -1.621 -6.883 7.124 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -3.737 -6.225 5.041 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.691 -5.124 5.917 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -2.023 -5.751 3.372 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -0.743 -5.699 4.568 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -2.178 -8.130 3.438 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -0.480 -7.955 3.831 1.00 0.00 H new ATOM 1029 N THR A 74 -3.630 -7.536 8.371 1.00 0.00 N ATOM 1030 CA THR A 74 -4.747 -8.039 9.151 1.00 0.00 C ATOM 1031 C THR A 74 -5.845 -6.979 9.255 1.00 0.00 C ATOM 1032 O THR A 74 -5.557 -5.795 9.424 1.00 0.00 O ATOM 1033 CB THR A 74 -4.209 -8.491 10.510 1.00 0.00 C ATOM 1034 OG1 THR A 74 -3.607 -7.319 11.053 1.00 0.00 O ATOM 1035 CG2 THR A 74 -3.049 -9.480 10.381 1.00 0.00 C ATOM 0 H THR A 74 -2.959 -6.977 8.898 1.00 0.00 H new ATOM 0 HA THR A 74 -5.212 -8.898 8.667 1.00 0.00 H new ATOM 0 HB THR A 74 -5.014 -8.949 11.085 1.00 0.00 H new ATOM 0 HG1 THR A 74 -4.305 -6.720 11.393 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.705 -9.769 11.374 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.384 -10.366 9.842 1.00 0.00 H new ATOM 0 HG23 THR A 74 -2.230 -9.011 9.835 1.00 0.00 H new ATOM 1043 N CYS A 75 -7.082 -7.442 9.149 1.00 0.00 N ATOM 1044 CA CYS A 75 -8.225 -6.549 9.229 1.00 0.00 C ATOM 1045 C CYS A 75 -8.315 -6.009 10.658 1.00 0.00 C ATOM 1046 O CYS A 75 -8.565 -4.823 10.863 1.00 0.00 O ATOM 1047 CB CYS A 75 -9.519 -7.245 8.800 1.00 0.00 C ATOM 1048 SG CYS A 75 -9.371 -8.278 7.297 1.00 0.00 S ATOM 0 H CYS A 75 -7.318 -8.424 9.008 1.00 0.00 H new ATOM 0 HA CYS A 75 -8.089 -5.719 8.536 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -9.868 -7.871 9.621 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -10.284 -6.487 8.629 1.00 0.00 H new ATOM 0 HG CYS A 75 -10.555 -8.647 6.906 1.00 0.00 H new ATOM 1053 N ASP A 76 -8.105 -6.907 11.609 1.00 0.00 N ATOM 1054 CA ASP A 76 -8.159 -6.536 13.013 1.00 0.00 C ATOM 1055 C ASP A 76 -7.457 -5.191 13.208 1.00 0.00 C ATOM 1056 O ASP A 76 -7.787 -4.442 14.127 1.00 0.00 O ATOM 1057 CB ASP A 76 -7.445 -7.572 13.884 1.00 0.00 C ATOM 1058 CG ASP A 76 -7.663 -7.411 15.390 1.00 0.00 C ATOM 1059 OD1 ASP A 76 -6.886 -6.734 16.079 1.00 0.00 O ATOM 1060 OD2 ASP A 76 -8.696 -8.026 15.860 1.00 0.00 O ATOM 0 H ASP A 76 -7.897 -7.890 11.435 1.00 0.00 H new ATOM 0 HA ASP A 76 -9.207 -6.478 13.306 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -7.780 -8.566 13.588 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -6.376 -7.522 13.679 1.00 0.00 H new ATOM 1066 N THR A 77 -6.503 -4.924 12.328 1.00 0.00 N ATOM 1067 CA THR A 77 -5.753 -3.682 12.392 1.00 0.00 C ATOM 1068 C THR A 77 -6.702 -2.483 12.360 1.00 0.00 C ATOM 1069 O THR A 77 -6.515 -1.518 13.100 1.00 0.00 O ATOM 1070 CB THR A 77 -4.738 -3.684 11.247 1.00 0.00 C ATOM 1071 OG1 THR A 77 -4.218 -5.010 11.246 1.00 0.00 O ATOM 1072 CG2 THR A 77 -3.520 -2.806 11.543 1.00 0.00 C ATOM 0 H THR A 77 -6.233 -5.547 11.567 1.00 0.00 H new ATOM 0 HA THR A 77 -5.206 -3.598 13.331 1.00 0.00 H new ATOM 0 HB THR A 77 -5.221 -3.338 10.333 1.00 0.00 H new ATOM 0 HG1 THR A 77 -4.207 -5.356 10.329 1.00 0.00 H new ATOM 0 HG21 THR A 77 -2.831 -2.843 10.699 1.00 0.00 H new ATOM 0 HG22 THR A 77 -3.843 -1.777 11.703 1.00 0.00 H new ATOM 0 HG23 THR A 77 -3.017 -3.172 12.438 1.00 0.00 H new ATOM 1080 N CYS A 78 -7.701 -2.582 11.495 1.00 0.00 N ATOM 1081 CA CYS A 78 -8.680 -1.518 11.357 1.00 0.00 C ATOM 1082 C CYS A 78 -10.047 -2.064 11.776 1.00 0.00 C ATOM 1083 O CYS A 78 -10.743 -1.452 12.584 1.00 0.00 O ATOM 1084 CB CYS A 78 -8.703 -0.951 9.936 1.00 0.00 C ATOM 1085 SG CYS A 78 -7.326 0.232 9.711 1.00 0.00 S ATOM 0 H CYS A 78 -7.853 -3.383 10.883 1.00 0.00 H new ATOM 0 HA CYS A 78 -8.409 -0.685 12.006 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -8.619 -1.761 9.211 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -9.655 -0.453 9.750 1.00 0.00 H new ATOM 0 HG CYS A 78 -7.354 0.705 8.501 1.00 0.00 H new ATOM 1090 N HIS A 79 -10.389 -3.211 11.208 1.00 0.00 N ATOM 1091 CA HIS A 79 -11.659 -3.848 11.512 1.00 0.00 C ATOM 1092 C HIS A 79 -11.468 -4.859 12.643 1.00 0.00 C ATOM 1093 O HIS A 79 -11.150 -6.021 12.395 1.00 0.00 O ATOM 1094 CB HIS A 79 -12.269 -4.471 10.255 1.00 0.00 C ATOM 1095 CG HIS A 79 -12.310 -3.542 9.066 1.00 0.00 C ATOM 1096 ND1 HIS A 79 -12.927 -2.304 9.102 1.00 0.00 N ATOM 1097 CD2 HIS A 79 -11.803 -3.682 7.807 1.00 0.00 C ATOM 1098 CE1 HIS A 79 -12.793 -1.734 7.914 1.00 0.00 C ATOM 1099 NE2 HIS A 79 -12.096 -2.590 7.112 1.00 0.00 N ATOM 0 H HIS A 79 -9.808 -3.716 10.539 1.00 0.00 H new ATOM 0 HA HIS A 79 -12.372 -3.100 11.858 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -11.697 -5.360 9.989 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -13.283 -4.800 10.481 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -11.256 -4.537 7.438 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -13.169 -0.762 7.630 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -11.842 -2.419 6.139 1.00 0.00 H new ATOM 1140 N ARG A 83 -13.371 -9.144 11.387 1.00 0.00 N ATOM 1141 CA ARG A 83 -13.123 -9.080 9.956 1.00 0.00 C ATOM 1142 C ARG A 83 -11.870 -9.881 9.598 1.00 0.00 C ATOM 1143 O ARG A 83 -10.833 -9.741 10.245 1.00 0.00 O ATOM 1144 CB ARG A 83 -12.945 -7.633 9.492 1.00 0.00 C ATOM 1145 CG ARG A 83 -13.987 -7.264 8.434 1.00 0.00 C ATOM 1146 CD ARG A 83 -15.393 -7.662 8.887 1.00 0.00 C ATOM 1147 NE ARG A 83 -16.278 -6.476 8.890 1.00 0.00 N ATOM 1148 CZ ARG A 83 -16.899 -5.991 7.794 1.00 0.00 C ATOM 1149 NH1 ARG A 83 -16.735 -6.588 6.594 1.00 0.00 N ATOM 1150 NH2 ARG A 83 -17.667 -4.925 7.912 1.00 0.00 N ATOM 0 HA ARG A 83 -13.989 -9.508 9.450 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -13.034 -6.960 10.345 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -11.943 -7.499 9.083 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -13.953 -6.191 8.243 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -13.749 -7.763 7.494 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -15.796 -8.425 8.221 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -15.353 -8.099 9.885 1.00 0.00 H new ATOM 0 HE ARG A 83 -16.428 -5.994 9.777 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -16.139 -7.411 6.511 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -17.208 -6.216 5.770 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -17.785 -4.479 8.822 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -18.143 -4.546 7.093 1.00 0.00 H new ATOM 1160 N THR A 84 -12.006 -10.703 8.568 1.00 0.00 N ATOM 1161 CA THR A 84 -10.898 -11.527 8.116 1.00 0.00 C ATOM 1162 C THR A 84 -10.721 -11.399 6.602 1.00 0.00 C ATOM 1163 O THR A 84 -11.660 -11.042 5.892 1.00 0.00 O ATOM 1164 CB THR A 84 -11.156 -12.962 8.579 1.00 0.00 C ATOM 1165 OG1 THR A 84 -12.533 -13.180 8.282 1.00 0.00 O ATOM 1166 CG2 THR A 84 -11.074 -13.111 10.099 1.00 0.00 C ATOM 0 H THR A 84 -12.867 -10.816 8.033 1.00 0.00 H new ATOM 0 HA THR A 84 -9.955 -11.195 8.551 1.00 0.00 H new ATOM 0 HB THR A 84 -10.434 -13.630 8.110 1.00 0.00 H new ATOM 0 HG1 THR A 84 -12.785 -14.089 8.549 1.00 0.00 H new ATOM 0 HG21 THR A 84 -11.265 -14.148 10.374 1.00 0.00 H new ATOM 0 HG22 THR A 84 -10.080 -12.823 10.440 1.00 0.00 H new ATOM 0 HG23 THR A 84 -11.819 -12.468 10.568 1.00 0.00 H new ATOM 1174 N ALA A 85 -9.511 -11.698 6.152 1.00 0.00 N ATOM 1175 CA ALA A 85 -9.200 -11.621 4.735 1.00 0.00 C ATOM 1176 C ALA A 85 -9.976 -12.706 3.987 1.00 0.00 C ATOM 1177 O ALA A 85 -10.362 -13.715 4.574 1.00 0.00 O ATOM 1178 CB ALA A 85 -7.687 -11.745 4.538 1.00 0.00 C ATOM 0 H ALA A 85 -8.735 -11.994 6.744 1.00 0.00 H new ATOM 0 HA ALA A 85 -9.505 -10.658 4.327 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.453 -11.687 3.475 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.184 -10.934 5.065 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.346 -12.702 4.933 1.00 0.00 H new ATOM 1184 N LYS A 86 -10.183 -12.461 2.701 1.00 0.00 N ATOM 1185 CA LYS A 86 -10.907 -13.404 1.866 1.00 0.00 C ATOM 1186 C LYS A 86 -9.907 -14.287 1.117 1.00 0.00 C ATOM 1187 O LYS A 86 -10.071 -14.544 -0.075 1.00 0.00 O ATOM 1188 CB LYS A 86 -11.884 -12.667 0.949 1.00 0.00 C ATOM 1189 CG LYS A 86 -13.023 -13.589 0.507 1.00 0.00 C ATOM 1190 CD LYS A 86 -13.739 -13.026 -0.722 1.00 0.00 C ATOM 1191 CE LYS A 86 -15.132 -13.639 -0.874 1.00 0.00 C ATOM 1192 NZ LYS A 86 -16.040 -12.699 -1.569 1.00 0.00 N ATOM 0 H LYS A 86 -9.862 -11.623 2.217 1.00 0.00 H new ATOM 0 HA LYS A 86 -11.519 -14.065 2.480 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -12.293 -11.801 1.469 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -11.354 -12.292 0.073 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -12.627 -14.579 0.280 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -13.735 -13.710 1.323 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -13.822 -11.943 -0.634 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -13.149 -13.229 -1.616 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -15.066 -14.571 -1.435 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -15.536 -13.885 0.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -16.981 -13.131 -1.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -16.117 -11.820 -1.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -15.661 -12.485 -2.513 1.00 0.00 H new