USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 700 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 118 THR OG1 : rot 144:sc= -0.386! USER MOD Set 1.2: A 123 HIS : no HE2:sc= -6.29! C(o=-6.7!,f=-6.6!) USER MOD Set 2.1: A 45 CYS SG : rot 64:sc= -0.996 USER MOD Set 2.2: A 48 HIS : +bothHN:sc= -7.69! C(o=-8.7!,f=-16!) USER MOD Single : A 36 ASN : amide:sc= -1.93! C(o=-1.9!,f=-2.6!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS :FLIP no HD1:sc= -2.88! C(o=-4.7!,f=-2.9!) USER MOD Single : A 47 LYS NZ :NH3+ 167:sc= -1.14 (180deg=-1.5) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl -123:sc= -0.0888 (180deg=-1.11) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot -110:sc= -1.4 USER MOD Single : A 62 MET CE :methyl -155:sc= -0.266 (180deg=-1.62!) USER MOD Single : A 65 ASN : amide:sc= -0.488 K(o=-0.49,f=-3.4!) USER MOD Single : A 70 GLN :FLIP amide:sc= -1.65! C(o=-5.2!,f=-1.6!) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot -61:sc= 0.161 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN :FLIP amide:sc= -0.0232 F(o=-1.3,f=-0.023) USER MOD Single : A 85 MET CE :methyl -152:sc= -0.296 (180deg=-1.2) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.0938! USER MOD Single : A 89 SER OG : rot 42:sc= 1.17 USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 GLN :FLIP amide:sc= -3.26! C(o=-5.6!,f=-3.3!) USER MOD Single : A 112 THR OG1 : rot -150:sc= -1.69! USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 TYR OH : rot 150:sc= 0 USER MOD Single : A 126 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 131 LYS NZ :NH3+ -146:sc= -0.355 (180deg=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 36 -0.713 -17.673 -11.188 1.00 0.00 N ATOM 2 CA ASN A 36 -0.566 -17.811 -12.666 1.00 0.00 C ATOM 3 C ASN A 36 -1.183 -16.597 -13.381 1.00 0.00 C ATOM 4 O ASN A 36 -1.433 -16.607 -14.566 1.00 0.00 O ATOM 5 CB ASN A 36 -1.336 -19.089 -13.001 1.00 0.00 C ATOM 6 CG ASN A 36 -0.996 -19.524 -14.421 1.00 0.00 C ATOM 7 OD1 ASN A 36 -0.411 -20.568 -14.633 1.00 0.00 O ATOM 8 ND2 ASN A 36 -1.342 -18.755 -15.408 1.00 0.00 N ATOM 0 HA ASN A 36 0.475 -17.859 -12.985 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -1.078 -19.878 -12.295 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.408 -18.916 -12.908 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -1.123 -19.026 -16.367 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -1.833 -17.880 -15.225 1.00 0.00 H new ATOM 15 N ALA A 37 -1.434 -15.554 -12.661 1.00 0.00 N ATOM 16 CA ALA A 37 -2.048 -14.347 -13.285 1.00 0.00 C ATOM 17 C ALA A 37 -1.326 -13.071 -12.852 1.00 0.00 C ATOM 18 O ALA A 37 -0.693 -13.020 -11.815 1.00 0.00 O ATOM 19 CB ALA A 37 -3.490 -14.341 -12.779 1.00 0.00 C ATOM 0 H ALA A 37 -1.243 -15.477 -11.662 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.985 -14.378 -14.373 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -4.017 -13.481 -13.192 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.990 -15.258 -13.093 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.493 -14.280 -11.691 1.00 0.00 H new ATOM 25 N VAL A 38 -1.425 -12.039 -13.642 1.00 0.00 N ATOM 26 CA VAL A 38 -0.757 -10.754 -13.289 1.00 0.00 C ATOM 27 C VAL A 38 -1.815 -9.665 -13.089 1.00 0.00 C ATOM 28 O VAL A 38 -2.871 -9.707 -13.682 1.00 0.00 O ATOM 29 CB VAL A 38 0.150 -10.419 -14.487 1.00 0.00 C ATOM 30 CG1 VAL A 38 0.785 -11.696 -15.043 1.00 0.00 C ATOM 31 CG2 VAL A 38 -0.668 -9.745 -15.597 1.00 0.00 C ATOM 0 H VAL A 38 -1.942 -12.030 -14.521 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.183 -10.824 -12.365 1.00 0.00 H new ATOM 0 HB VAL A 38 0.932 -9.741 -14.146 1.00 0.00 H new ATOM 0 HG11 VAL A 38 1.424 -11.446 -15.890 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.382 -12.173 -14.266 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.001 -12.380 -15.370 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.016 -9.513 -16.439 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.460 -10.418 -15.926 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.110 -8.825 -15.215 1.00 0.00 H new ATOM 41 N LYS A 39 -1.537 -8.677 -12.289 1.00 0.00 N ATOM 42 CA LYS A 39 -2.536 -7.585 -12.101 1.00 0.00 C ATOM 43 C LYS A 39 -2.152 -6.407 -12.994 1.00 0.00 C ATOM 44 O LYS A 39 -1.121 -5.787 -12.810 1.00 0.00 O ATOM 45 CB LYS A 39 -2.467 -7.211 -10.621 1.00 0.00 C ATOM 46 CG LYS A 39 -3.144 -8.306 -9.791 1.00 0.00 C ATOM 47 CD LYS A 39 -4.288 -7.700 -8.976 1.00 0.00 C ATOM 48 CE LYS A 39 -3.758 -7.235 -7.617 1.00 0.00 C ATOM 49 NZ LYS A 39 -4.908 -6.548 -6.962 1.00 0.00 N ATOM 0 H LYS A 39 -0.671 -8.576 -11.760 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.549 -7.883 -12.371 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.428 -7.094 -10.312 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.960 -6.254 -10.452 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.526 -9.089 -10.446 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.418 -8.773 -9.126 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.726 -6.859 -9.514 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.079 -8.437 -8.837 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.412 -8.079 -7.020 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.911 -6.559 -7.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.618 -6.203 -6.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.212 -5.745 -7.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.697 -7.217 -6.855 1.00 0.00 H new ATOM 63 N VAL A 40 -2.957 -6.119 -13.985 1.00 0.00 N ATOM 64 CA VAL A 40 -2.611 -5.004 -14.915 1.00 0.00 C ATOM 65 C VAL A 40 -3.598 -3.840 -14.811 1.00 0.00 C ATOM 66 O VAL A 40 -4.798 -4.010 -14.884 1.00 0.00 O ATOM 67 CB VAL A 40 -2.681 -5.625 -16.311 1.00 0.00 C ATOM 68 CG1 VAL A 40 -2.505 -4.532 -17.368 1.00 0.00 C ATOM 69 CG2 VAL A 40 -1.567 -6.662 -16.463 1.00 0.00 C ATOM 0 H VAL A 40 -3.831 -6.603 -14.189 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.631 -4.588 -14.680 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.650 -6.107 -16.445 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.555 -4.976 -18.362 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.298 -3.791 -17.261 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.537 -4.049 -17.235 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.616 -7.105 -17.458 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.599 -6.179 -16.328 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.691 -7.442 -15.712 1.00 0.00 H new ATOM 79 N ARG A 41 -3.079 -2.652 -14.678 1.00 0.00 N ATOM 80 CA ARG A 41 -3.942 -1.440 -14.608 1.00 0.00 C ATOM 81 C ARG A 41 -3.332 -0.383 -15.529 1.00 0.00 C ATOM 82 O ARG A 41 -2.149 -0.131 -15.475 1.00 0.00 O ATOM 83 CB ARG A 41 -3.885 -0.989 -13.148 1.00 0.00 C ATOM 84 CG ARG A 41 -4.379 -2.121 -12.248 1.00 0.00 C ATOM 85 CD ARG A 41 -4.740 -1.554 -10.875 1.00 0.00 C ATOM 86 NE ARG A 41 -3.597 -0.673 -10.515 1.00 0.00 N ATOM 87 CZ ARG A 41 -2.690 -1.094 -9.676 1.00 0.00 C ATOM 88 NH1 ARG A 41 -2.142 -2.266 -9.846 1.00 0.00 N ATOM 89 NH2 ARG A 41 -2.332 -0.344 -8.671 1.00 0.00 N ATOM 0 H ARG A 41 -2.078 -2.467 -14.614 1.00 0.00 H new ATOM 0 HA ARG A 41 -4.972 -1.615 -14.918 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -2.865 -0.715 -12.880 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.501 -0.101 -13.006 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -5.248 -2.603 -12.695 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -3.607 -2.884 -12.148 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -5.675 -0.994 -10.912 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -4.873 -2.349 -10.141 1.00 0.00 H new ATOM 0 HE ARG A 41 -3.522 0.259 -10.923 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -2.423 -2.851 -10.633 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -1.433 -2.597 -9.192 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -2.761 0.572 -8.540 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -1.623 -0.674 -8.016 1.00 0.00 H new ATOM 103 N HIS A 42 -4.096 0.216 -16.399 1.00 0.00 N ATOM 104 CA HIS A 42 -3.477 1.213 -17.319 1.00 0.00 C ATOM 105 C HIS A 42 -4.414 2.379 -17.637 1.00 0.00 C ATOM 106 O HIS A 42 -5.597 2.347 -17.367 1.00 0.00 O ATOM 107 CB HIS A 42 -3.184 0.418 -18.594 1.00 0.00 C ATOM 108 CG HIS A 42 -4.471 0.167 -19.336 1.00 0.00 C ATOM 109 ND1 HIS A 42 -5.662 -0.393 -18.942 1.00 0.00 N flip ATOM 110 CD2 HIS A 42 -4.642 0.522 -20.666 1.00 0.00 C flip ATOM 111 CE1 HIS A 42 -6.559 -0.386 -20.007 1.00 0.00 C flip ATOM 112 NE2 HIS A 42 -5.894 0.177 -21.021 1.00 0.00 N flip ATOM 0 H HIS A 42 -5.098 0.065 -16.513 1.00 0.00 H new ATOM 0 HA HIS A 42 -2.592 1.663 -16.870 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -2.488 0.969 -19.227 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -2.706 -0.529 -18.343 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -3.905 0.990 -21.301 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -7.574 -0.756 -20.013 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -6.287 0.327 -21.950 1.00 0.00 H new ATOM 120 N ILE A 43 -3.871 3.398 -18.244 1.00 0.00 N ATOM 121 CA ILE A 43 -4.683 4.580 -18.639 1.00 0.00 C ATOM 122 C ILE A 43 -4.820 4.576 -20.163 1.00 0.00 C ATOM 123 O ILE A 43 -3.851 4.390 -20.874 1.00 0.00 O ATOM 124 CB ILE A 43 -3.877 5.794 -18.173 1.00 0.00 C ATOM 125 CG1 ILE A 43 -3.808 5.810 -16.643 1.00 0.00 C ATOM 126 CG2 ILE A 43 -4.550 7.077 -18.664 1.00 0.00 C ATOM 127 CD1 ILE A 43 -2.730 6.797 -16.190 1.00 0.00 C ATOM 0 H ILE A 43 -2.882 3.461 -18.486 1.00 0.00 H new ATOM 0 HA ILE A 43 -5.683 4.584 -18.206 1.00 0.00 H new ATOM 0 HB ILE A 43 -2.868 5.733 -18.582 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -4.775 6.095 -16.228 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -3.582 4.812 -16.268 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -3.974 7.940 -18.331 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -4.596 7.070 -19.753 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -5.560 7.136 -18.258 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -2.681 6.808 -15.101 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.765 6.492 -16.593 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.975 7.795 -16.552 1.00 0.00 H new ATOM 139 N LEU A 44 -6.006 4.748 -20.677 1.00 0.00 N ATOM 140 CA LEU A 44 -6.168 4.715 -22.159 1.00 0.00 C ATOM 141 C LEU A 44 -6.695 6.045 -22.704 1.00 0.00 C ATOM 142 O LEU A 44 -7.736 6.540 -22.302 1.00 0.00 O ATOM 143 CB LEU A 44 -7.175 3.600 -22.420 1.00 0.00 C ATOM 144 CG LEU A 44 -6.911 2.964 -23.790 1.00 0.00 C ATOM 145 CD1 LEU A 44 -8.152 2.187 -24.234 1.00 0.00 C ATOM 146 CD2 LEU A 44 -6.602 4.054 -24.823 1.00 0.00 C ATOM 0 H LEU A 44 -6.861 4.908 -20.144 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.213 4.545 -22.656 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.103 2.843 -21.639 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.189 3.999 -22.384 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.058 2.290 -23.713 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.968 1.733 -25.208 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.372 1.406 -23.506 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -9.001 2.867 -24.305 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.416 3.593 -25.793 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.451 4.733 -24.901 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.719 4.612 -24.511 1.00 0.00 H new ATOM 158 N CYS A 45 -5.980 6.607 -23.639 1.00 0.00 N ATOM 159 CA CYS A 45 -6.406 7.891 -24.259 1.00 0.00 C ATOM 160 C CYS A 45 -6.183 7.817 -25.773 1.00 0.00 C ATOM 161 O CYS A 45 -5.167 7.336 -26.228 1.00 0.00 O ATOM 162 CB CYS A 45 -5.505 8.954 -23.626 1.00 0.00 C ATOM 163 SG CYS A 45 -5.737 10.532 -24.479 1.00 0.00 S ATOM 0 H CYS A 45 -5.107 6.225 -24.004 1.00 0.00 H new ATOM 0 HA CYS A 45 -7.460 8.115 -24.096 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -5.742 9.063 -22.568 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -4.462 8.645 -23.689 1.00 0.00 H new ATOM 0 HG CYS A 45 -6.956 10.946 -24.301 1.00 0.00 H new ATOM 169 N GLU A 46 -7.126 8.272 -26.553 1.00 0.00 N ATOM 170 CA GLU A 46 -6.968 8.213 -28.036 1.00 0.00 C ATOM 171 C GLU A 46 -5.665 8.912 -28.468 1.00 0.00 C ATOM 172 O GLU A 46 -4.734 9.037 -27.699 1.00 0.00 O ATOM 173 CB GLU A 46 -8.202 8.930 -28.584 1.00 0.00 C ATOM 174 CG GLU A 46 -9.447 8.077 -28.325 1.00 0.00 C ATOM 175 CD GLU A 46 -10.114 7.722 -29.654 1.00 0.00 C ATOM 176 OE1 GLU A 46 -9.583 6.875 -30.353 1.00 0.00 O ATOM 177 OE2 GLU A 46 -11.144 8.304 -29.951 1.00 0.00 O ATOM 0 H GLU A 46 -8.001 8.683 -26.227 1.00 0.00 H new ATOM 0 HA GLU A 46 -6.897 7.192 -28.412 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.311 9.904 -28.108 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.087 9.109 -29.653 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.172 7.168 -27.791 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.146 8.621 -27.690 1.00 0.00 H new ATOM 184 N LYS A 47 -5.570 9.342 -29.701 1.00 0.00 N ATOM 185 CA LYS A 47 -4.298 9.989 -30.159 1.00 0.00 C ATOM 186 C LYS A 47 -4.370 11.520 -30.117 1.00 0.00 C ATOM 187 O LYS A 47 -4.976 12.148 -30.963 1.00 0.00 O ATOM 188 CB LYS A 47 -4.116 9.519 -31.604 1.00 0.00 C ATOM 189 CG LYS A 47 -3.772 8.029 -31.628 1.00 0.00 C ATOM 190 CD LYS A 47 -3.661 7.561 -33.081 1.00 0.00 C ATOM 191 CE LYS A 47 -3.170 6.113 -33.124 1.00 0.00 C ATOM 192 NZ LYS A 47 -3.382 5.681 -34.534 1.00 0.00 N ATOM 0 H LYS A 47 -6.306 9.276 -30.404 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.470 9.712 -29.507 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.029 9.699 -32.172 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.323 10.092 -32.085 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.833 7.852 -31.104 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.540 7.458 -31.107 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.630 7.640 -33.573 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.972 8.204 -33.628 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.119 6.043 -32.843 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.728 5.485 -32.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.876 4.788 -34.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.398 5.541 -34.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.020 6.412 -35.179 1.00 0.00 H new ATOM 206 N HIS A 48 -3.730 12.127 -29.149 1.00 0.00 N ATOM 207 CA HIS A 48 -3.735 13.620 -29.061 1.00 0.00 C ATOM 208 C HIS A 48 -2.314 14.132 -28.820 1.00 0.00 C ATOM 209 O HIS A 48 -2.111 15.253 -28.400 1.00 0.00 O ATOM 210 CB HIS A 48 -4.609 13.966 -27.859 1.00 0.00 C ATOM 211 CG HIS A 48 -5.828 13.097 -27.859 1.00 0.00 C ATOM 212 ND1 HIS A 48 -6.473 12.727 -29.024 1.00 0.00 N ATOM 213 CD2 HIS A 48 -6.523 12.513 -26.840 1.00 0.00 C ATOM 214 CE1 HIS A 48 -7.510 11.947 -28.679 1.00 0.00 C ATOM 215 NE2 HIS A 48 -7.588 11.786 -27.355 1.00 0.00 N ATOM 0 H HIS A 48 -3.204 11.653 -28.415 1.00 0.00 H new ATOM 0 HA HIS A 48 -4.108 14.073 -29.980 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -4.048 13.823 -26.935 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -4.898 15.016 -27.897 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -6.210 12.997 -29.972 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -6.281 12.603 -25.791 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -8.197 11.504 -29.385 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -8.280 11.246 -26.835 1.00 0.00 H new ATOM 223 N GLY A 49 -1.327 13.312 -29.059 1.00 0.00 N ATOM 224 CA GLY A 49 0.075 13.751 -28.815 1.00 0.00 C ATOM 225 C GLY A 49 0.272 13.938 -27.309 1.00 0.00 C ATOM 226 O GLY A 49 1.131 14.674 -26.867 1.00 0.00 O ATOM 0 H GLY A 49 -1.431 12.360 -29.411 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.776 13.010 -29.199 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.277 14.684 -29.342 1.00 0.00 H new ATOM 230 N LYS A 50 -0.535 13.278 -26.519 1.00 0.00 N ATOM 231 CA LYS A 50 -0.419 13.414 -25.038 1.00 0.00 C ATOM 232 C LYS A 50 0.458 12.300 -24.456 1.00 0.00 C ATOM 233 O LYS A 50 0.582 12.162 -23.255 1.00 0.00 O ATOM 234 CB LYS A 50 -1.853 13.274 -24.522 1.00 0.00 C ATOM 235 CG LYS A 50 -2.669 14.513 -24.901 1.00 0.00 C ATOM 236 CD LYS A 50 -4.132 14.297 -24.504 1.00 0.00 C ATOM 237 CE LYS A 50 -4.893 15.621 -24.600 1.00 0.00 C ATOM 238 NZ LYS A 50 -6.270 15.309 -24.123 1.00 0.00 N ATOM 0 H LYS A 50 -1.272 12.649 -26.838 1.00 0.00 H new ATOM 0 HA LYS A 50 0.041 14.360 -24.751 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -2.315 12.381 -24.944 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.848 13.149 -23.439 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.270 15.393 -24.397 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.595 14.698 -25.973 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -4.590 13.555 -25.157 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -4.189 13.906 -23.488 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -4.427 16.390 -23.984 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -4.905 15.996 -25.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -6.853 16.169 -24.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -6.691 14.579 -24.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -6.228 14.961 -23.144 1.00 0.00 H new ATOM 252 N ILE A 51 1.062 11.499 -25.292 1.00 0.00 N ATOM 253 CA ILE A 51 1.922 10.395 -24.771 1.00 0.00 C ATOM 254 C ILE A 51 2.933 10.939 -23.758 1.00 0.00 C ATOM 255 O ILE A 51 3.090 10.413 -22.672 1.00 0.00 O ATOM 256 CB ILE A 51 2.657 9.842 -25.993 1.00 0.00 C ATOM 257 CG1 ILE A 51 1.651 9.258 -26.986 1.00 0.00 C ATOM 258 CG2 ILE A 51 3.625 8.745 -25.549 1.00 0.00 C ATOM 259 CD1 ILE A 51 1.555 10.172 -28.208 1.00 0.00 C ATOM 0 H ILE A 51 0.998 11.560 -26.308 1.00 0.00 H new ATOM 0 HA ILE A 51 1.333 9.631 -24.264 1.00 0.00 H new ATOM 0 HB ILE A 51 3.210 10.649 -26.474 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.961 8.258 -27.289 1.00 0.00 H new ATOM 0 HG13 ILE A 51 0.673 9.159 -26.514 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.150 8.349 -26.418 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.348 9.160 -24.846 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.068 7.942 -25.065 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.838 9.757 -28.917 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.225 11.163 -27.896 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.533 10.248 -28.683 1.00 0.00 H new ATOM 271 N MET A 52 3.633 11.980 -24.119 1.00 0.00 N ATOM 272 CA MET A 52 4.657 12.559 -23.201 1.00 0.00 C ATOM 273 C MET A 52 4.002 13.235 -21.993 1.00 0.00 C ATOM 274 O MET A 52 4.487 13.138 -20.883 1.00 0.00 O ATOM 275 CB MET A 52 5.393 13.592 -24.053 1.00 0.00 C ATOM 276 CG MET A 52 6.559 14.179 -23.258 1.00 0.00 C ATOM 277 SD MET A 52 7.109 15.715 -24.042 1.00 0.00 S ATOM 278 CE MET A 52 5.766 16.769 -23.442 1.00 0.00 C ATOM 0 H MET A 52 3.539 12.457 -25.015 1.00 0.00 H new ATOM 0 HA MET A 52 5.320 11.794 -22.798 1.00 0.00 H new ATOM 0 HB2 MET A 52 5.761 13.127 -24.968 1.00 0.00 H new ATOM 0 HB3 MET A 52 4.708 14.385 -24.352 1.00 0.00 H new ATOM 0 HG2 MET A 52 6.252 14.372 -22.230 1.00 0.00 H new ATOM 0 HG3 MET A 52 7.381 13.465 -23.216 1.00 0.00 H new ATOM 0 HE1 MET A 52 5.256 17.227 -24.290 1.00 0.00 H new ATOM 0 HE2 MET A 52 5.057 16.167 -22.874 1.00 0.00 H new ATOM 0 HE3 MET A 52 6.175 17.549 -22.800 1.00 0.00 H new ATOM 288 N GLU A 53 2.919 13.930 -22.193 1.00 0.00 N ATOM 289 CA GLU A 53 2.260 14.617 -21.046 1.00 0.00 C ATOM 290 C GLU A 53 1.607 13.597 -20.108 1.00 0.00 C ATOM 291 O GLU A 53 1.665 13.725 -18.904 1.00 0.00 O ATOM 292 CB GLU A 53 1.195 15.514 -21.676 1.00 0.00 C ATOM 293 CG GLU A 53 0.438 16.252 -20.570 1.00 0.00 C ATOM 294 CD GLU A 53 1.390 17.211 -19.854 1.00 0.00 C ATOM 295 OE1 GLU A 53 2.435 17.501 -20.409 1.00 0.00 O ATOM 296 OE2 GLU A 53 1.056 17.638 -18.761 1.00 0.00 O ATOM 0 H GLU A 53 2.462 14.053 -23.097 1.00 0.00 H new ATOM 0 HA GLU A 53 2.974 15.183 -20.449 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.660 16.229 -22.354 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.503 14.916 -22.269 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.400 16.804 -20.994 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.022 15.537 -19.860 1.00 0.00 H new ATOM 303 N ALA A 54 0.977 12.595 -20.652 1.00 0.00 N ATOM 304 CA ALA A 54 0.310 11.580 -19.787 1.00 0.00 C ATOM 305 C ALA A 54 1.325 10.865 -18.889 1.00 0.00 C ATOM 306 O ALA A 54 1.169 10.817 -17.684 1.00 0.00 O ATOM 307 CB ALA A 54 -0.330 10.591 -20.760 1.00 0.00 C ATOM 0 H ALA A 54 0.894 12.434 -21.656 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.420 12.038 -19.120 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.843 9.809 -20.200 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.047 11.115 -21.392 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.443 10.142 -21.384 1.00 0.00 H new ATOM 313 N MET A 55 2.353 10.296 -19.459 1.00 0.00 N ATOM 314 CA MET A 55 3.357 9.568 -18.626 1.00 0.00 C ATOM 315 C MET A 55 4.039 10.513 -17.628 1.00 0.00 C ATOM 316 O MET A 55 4.222 10.179 -16.474 1.00 0.00 O ATOM 317 CB MET A 55 4.366 8.996 -19.629 1.00 0.00 C ATOM 318 CG MET A 55 5.421 10.050 -19.981 1.00 0.00 C ATOM 319 SD MET A 55 6.609 9.345 -21.150 1.00 0.00 S ATOM 320 CE MET A 55 8.064 10.251 -20.570 1.00 0.00 C ATOM 0 H MET A 55 2.542 10.303 -20.461 1.00 0.00 H new ATOM 0 HA MET A 55 2.895 8.785 -18.024 1.00 0.00 H new ATOM 0 HB2 MET A 55 4.849 8.115 -19.207 1.00 0.00 H new ATOM 0 HB3 MET A 55 3.848 8.674 -20.532 1.00 0.00 H new ATOM 0 HG2 MET A 55 4.943 10.928 -20.416 1.00 0.00 H new ATOM 0 HG3 MET A 55 5.935 10.381 -19.079 1.00 0.00 H new ATOM 0 HE1 MET A 55 8.932 9.964 -21.164 1.00 0.00 H new ATOM 0 HE2 MET A 55 7.891 11.322 -20.674 1.00 0.00 H new ATOM 0 HE3 MET A 55 8.247 10.013 -19.522 1.00 0.00 H new ATOM 330 N GLU A 56 4.426 11.683 -18.057 1.00 0.00 N ATOM 331 CA GLU A 56 5.101 12.631 -17.123 1.00 0.00 C ATOM 332 C GLU A 56 4.098 13.204 -16.117 1.00 0.00 C ATOM 333 O GLU A 56 4.463 13.646 -15.047 1.00 0.00 O ATOM 334 CB GLU A 56 5.655 13.743 -18.017 1.00 0.00 C ATOM 335 CG GLU A 56 4.506 14.633 -18.495 1.00 0.00 C ATOM 336 CD GLU A 56 5.069 15.799 -19.311 1.00 0.00 C ATOM 337 OE1 GLU A 56 5.594 15.547 -20.382 1.00 0.00 O ATOM 338 OE2 GLU A 56 4.963 16.923 -18.849 1.00 0.00 O ATOM 0 H GLU A 56 4.305 12.024 -19.011 1.00 0.00 H new ATOM 0 HA GLU A 56 5.883 12.143 -16.542 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.385 14.337 -17.467 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.175 13.312 -18.872 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.811 14.053 -19.102 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.945 15.011 -17.640 1.00 0.00 H new ATOM 345 N LYS A 57 2.839 13.210 -16.456 1.00 0.00 N ATOM 346 CA LYS A 57 1.817 13.766 -15.524 1.00 0.00 C ATOM 347 C LYS A 57 1.636 12.852 -14.306 1.00 0.00 C ATOM 348 O LYS A 57 1.584 13.309 -13.182 1.00 0.00 O ATOM 349 CB LYS A 57 0.529 13.828 -16.342 1.00 0.00 C ATOM 350 CG LYS A 57 -0.594 14.418 -15.488 1.00 0.00 C ATOM 351 CD LYS A 57 -0.709 15.919 -15.761 1.00 0.00 C ATOM 352 CE LYS A 57 -1.586 16.569 -14.688 1.00 0.00 C ATOM 353 NZ LYS A 57 -1.808 17.962 -15.166 1.00 0.00 N ATOM 0 H LYS A 57 2.473 12.854 -17.339 1.00 0.00 H new ATOM 0 HA LYS A 57 2.107 14.743 -15.138 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.681 14.438 -17.232 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.254 12.830 -16.683 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.538 13.923 -15.717 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.391 14.244 -14.431 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.281 16.376 -15.762 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.139 16.088 -16.748 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.530 16.036 -14.573 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.093 16.559 -13.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -2.402 18.473 -14.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.893 18.447 -15.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.284 17.940 -16.090 1.00 0.00 H new ATOM 367 N LEU A 58 1.529 11.567 -14.517 1.00 0.00 N ATOM 368 CA LEU A 58 1.339 10.642 -13.362 1.00 0.00 C ATOM 369 C LEU A 58 2.682 10.344 -12.681 1.00 0.00 C ATOM 370 O LEU A 58 2.734 9.997 -11.518 1.00 0.00 O ATOM 371 CB LEU A 58 0.717 9.377 -13.960 1.00 0.00 C ATOM 372 CG LEU A 58 1.749 8.622 -14.795 1.00 0.00 C ATOM 373 CD1 LEU A 58 2.160 7.349 -14.056 1.00 0.00 C ATOM 374 CD2 LEU A 58 1.128 8.245 -16.142 1.00 0.00 C ATOM 0 H LEU A 58 1.565 11.120 -15.433 1.00 0.00 H new ATOM 0 HA LEU A 58 0.700 11.071 -12.590 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.345 8.735 -13.162 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.139 9.643 -14.581 1.00 0.00 H new ATOM 0 HG LEU A 58 2.624 9.252 -14.957 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.897 6.806 -14.648 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.593 7.612 -13.091 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.284 6.719 -13.901 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.861 7.706 -16.742 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.257 7.611 -15.976 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.823 9.150 -16.668 1.00 0.00 H new ATOM 386 N LYS A 59 3.768 10.498 -13.388 1.00 0.00 N ATOM 387 CA LYS A 59 5.109 10.247 -12.774 1.00 0.00 C ATOM 388 C LYS A 59 5.164 8.864 -12.107 1.00 0.00 C ATOM 389 O LYS A 59 4.760 7.874 -12.682 1.00 0.00 O ATOM 390 CB LYS A 59 5.270 11.361 -11.737 1.00 0.00 C ATOM 391 CG LYS A 59 5.234 12.717 -12.441 1.00 0.00 C ATOM 392 CD LYS A 59 6.472 12.860 -13.327 1.00 0.00 C ATOM 393 CE LYS A 59 6.792 14.342 -13.526 1.00 0.00 C ATOM 394 NZ LYS A 59 7.999 14.361 -14.398 1.00 0.00 N ATOM 0 H LYS A 59 3.788 10.787 -14.366 1.00 0.00 H new ATOM 0 HA LYS A 59 5.908 10.252 -13.516 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.472 11.302 -10.996 1.00 0.00 H new ATOM 0 HB3 LYS A 59 6.212 11.241 -11.202 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.330 12.803 -13.044 1.00 0.00 H new ATOM 0 HG3 LYS A 59 5.204 13.521 -11.705 1.00 0.00 H new ATOM 0 HD2 LYS A 59 7.321 12.353 -12.868 1.00 0.00 H new ATOM 0 HD3 LYS A 59 6.299 12.382 -14.291 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.959 14.867 -13.994 1.00 0.00 H new ATOM 0 HE3 LYS A 59 6.985 14.836 -12.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 8.280 15.346 -14.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 8.778 13.860 -13.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 7.783 13.890 -15.300 1.00 0.00 H new ATOM 408 N SER A 60 5.676 8.784 -10.904 1.00 0.00 N ATOM 409 CA SER A 60 5.767 7.464 -10.214 1.00 0.00 C ATOM 410 C SER A 60 4.392 6.796 -10.145 1.00 0.00 C ATOM 411 O SER A 60 4.273 5.592 -10.258 1.00 0.00 O ATOM 412 CB SER A 60 6.281 7.786 -8.811 1.00 0.00 C ATOM 413 OG SER A 60 5.271 8.476 -8.088 1.00 0.00 O ATOM 0 H SER A 60 6.034 9.577 -10.371 1.00 0.00 H new ATOM 0 HA SER A 60 6.423 6.771 -10.741 1.00 0.00 H new ATOM 0 HB2 SER A 60 6.553 6.867 -8.291 1.00 0.00 H new ATOM 0 HB3 SER A 60 7.182 8.397 -8.872 1.00 0.00 H new ATOM 0 HG SER A 60 5.542 9.409 -7.957 1.00 0.00 H new ATOM 419 N GLY A 61 3.352 7.562 -9.962 1.00 0.00 N ATOM 420 CA GLY A 61 1.992 6.956 -9.892 1.00 0.00 C ATOM 421 C GLY A 61 1.202 7.561 -8.727 1.00 0.00 C ATOM 422 O GLY A 61 0.064 7.209 -8.494 1.00 0.00 O ATOM 0 H GLY A 61 3.384 8.576 -9.858 1.00 0.00 H new ATOM 0 HA2 GLY A 61 1.461 7.127 -10.828 1.00 0.00 H new ATOM 0 HA3 GLY A 61 2.073 5.877 -9.764 1.00 0.00 H new ATOM 426 N MET A 62 1.790 8.466 -7.992 1.00 0.00 N ATOM 427 CA MET A 62 1.054 9.082 -6.848 1.00 0.00 C ATOM 428 C MET A 62 -0.341 9.517 -7.304 1.00 0.00 C ATOM 429 O MET A 62 -1.306 9.411 -6.575 1.00 0.00 O ATOM 430 CB MET A 62 1.890 10.295 -6.438 1.00 0.00 C ATOM 431 CG MET A 62 3.252 9.824 -5.921 1.00 0.00 C ATOM 432 SD MET A 62 4.159 11.235 -5.244 1.00 0.00 S ATOM 433 CE MET A 62 4.218 12.214 -6.764 1.00 0.00 C ATOM 0 H MET A 62 2.742 8.804 -8.132 1.00 0.00 H new ATOM 0 HA MET A 62 0.920 8.388 -6.018 1.00 0.00 H new ATOM 0 HB2 MET A 62 2.023 10.963 -7.289 1.00 0.00 H new ATOM 0 HB3 MET A 62 1.372 10.863 -5.665 1.00 0.00 H new ATOM 0 HG2 MET A 62 3.118 9.062 -5.154 1.00 0.00 H new ATOM 0 HG3 MET A 62 3.821 9.366 -6.730 1.00 0.00 H new ATOM 0 HE1 MET A 62 5.072 12.890 -6.728 1.00 0.00 H new ATOM 0 HE2 MET A 62 4.317 11.549 -7.622 1.00 0.00 H new ATOM 0 HE3 MET A 62 3.300 12.794 -6.859 1.00 0.00 H new ATOM 443 N ARG A 63 -0.452 10.000 -8.512 1.00 0.00 N ATOM 444 CA ARG A 63 -1.782 10.434 -9.029 1.00 0.00 C ATOM 445 C ARG A 63 -2.251 9.470 -10.118 1.00 0.00 C ATOM 446 O ARG A 63 -2.971 9.837 -11.023 1.00 0.00 O ATOM 447 CB ARG A 63 -1.545 11.825 -9.609 1.00 0.00 C ATOM 448 CG ARG A 63 -1.607 12.857 -8.485 1.00 0.00 C ATOM 449 CD ARG A 63 -0.529 13.921 -8.704 1.00 0.00 C ATOM 450 NE ARG A 63 -1.224 15.039 -9.404 1.00 0.00 N ATOM 451 CZ ARG A 63 -0.704 16.236 -9.394 1.00 0.00 C ATOM 452 NH1 ARG A 63 -0.838 16.997 -8.343 1.00 0.00 N ATOM 453 NH2 ARG A 63 -0.049 16.671 -10.435 1.00 0.00 N ATOM 0 H ARG A 63 0.323 10.113 -9.165 1.00 0.00 H new ATOM 0 HA ARG A 63 -2.550 10.444 -8.255 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.574 11.865 -10.102 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -2.297 12.049 -10.366 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.592 13.323 -8.460 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.460 12.369 -7.521 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -0.104 14.253 -7.757 1.00 0.00 H new ATOM 0 HD3 ARG A 63 0.294 13.531 -9.303 1.00 0.00 H new ATOM 0 HE ARG A 63 -2.104 14.869 -9.890 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -1.349 16.657 -7.529 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -0.431 17.932 -8.336 1.00 0.00 H new ATOM 0 HH21 ARG A 63 0.057 16.076 -11.256 1.00 0.00 H new ATOM 0 HH22 ARG A 63 0.357 17.606 -10.427 1.00 0.00 H new ATOM 467 N PHE A 64 -1.841 8.236 -10.031 1.00 0.00 N ATOM 468 CA PHE A 64 -2.251 7.233 -11.054 1.00 0.00 C ATOM 469 C PHE A 64 -3.762 7.293 -11.275 1.00 0.00 C ATOM 470 O PHE A 64 -4.234 7.332 -12.395 1.00 0.00 O ATOM 471 CB PHE A 64 -1.848 5.881 -10.462 1.00 0.00 C ATOM 472 CG PHE A 64 -2.066 4.796 -11.488 1.00 0.00 C ATOM 473 CD1 PHE A 64 -1.287 4.767 -12.650 1.00 0.00 C ATOM 474 CD2 PHE A 64 -3.045 3.820 -11.276 1.00 0.00 C ATOM 475 CE1 PHE A 64 -1.489 3.759 -13.602 1.00 0.00 C ATOM 476 CE2 PHE A 64 -3.247 2.812 -12.227 1.00 0.00 C ATOM 477 CZ PHE A 64 -2.468 2.782 -13.389 1.00 0.00 C ATOM 0 H PHE A 64 -1.237 7.877 -9.292 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.782 7.412 -12.022 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -0.802 5.903 -10.157 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -2.436 5.674 -9.568 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -0.531 5.521 -12.813 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -3.645 3.844 -10.379 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -0.889 3.736 -14.500 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -4.003 2.059 -12.064 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.622 2.004 -14.122 1.00 0.00 H new ATOM 487 N ASN A 65 -4.525 7.302 -10.218 1.00 0.00 N ATOM 488 CA ASN A 65 -6.004 7.361 -10.374 1.00 0.00 C ATOM 489 C ASN A 65 -6.418 8.733 -10.912 1.00 0.00 C ATOM 490 O ASN A 65 -7.321 8.849 -11.715 1.00 0.00 O ATOM 491 CB ASN A 65 -6.566 7.142 -8.969 1.00 0.00 C ATOM 492 CG ASN A 65 -6.104 8.275 -8.051 1.00 0.00 C ATOM 493 OD1 ASN A 65 -4.970 8.294 -7.615 1.00 0.00 O ATOM 494 ND2 ASN A 65 -6.940 9.226 -7.738 1.00 0.00 N ATOM 0 H ASN A 65 -4.189 7.271 -9.255 1.00 0.00 H new ATOM 0 HA ASN A 65 -6.376 6.615 -11.077 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -7.655 7.108 -9.003 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -6.230 6.182 -8.577 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -6.642 9.986 -7.127 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -7.892 9.209 -8.104 1.00 0.00 H new ATOM 501 N GLU A 66 -5.759 9.771 -10.476 1.00 0.00 N ATOM 502 CA GLU A 66 -6.108 11.135 -10.964 1.00 0.00 C ATOM 503 C GLU A 66 -5.802 11.246 -12.460 1.00 0.00 C ATOM 504 O GLU A 66 -6.614 11.704 -13.240 1.00 0.00 O ATOM 505 CB GLU A 66 -5.215 12.081 -10.159 1.00 0.00 C ATOM 506 CG GLU A 66 -5.490 13.526 -10.578 1.00 0.00 C ATOM 507 CD GLU A 66 -6.972 13.846 -10.376 1.00 0.00 C ATOM 508 OE1 GLU A 66 -7.767 13.426 -11.201 1.00 0.00 O ATOM 509 OE2 GLU A 66 -7.288 14.505 -9.399 1.00 0.00 O ATOM 0 H GLU A 66 -4.994 9.734 -9.803 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.165 11.368 -10.836 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.406 11.958 -9.093 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.166 11.837 -10.325 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -4.877 14.209 -9.990 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -5.216 13.671 -11.623 1.00 0.00 H new ATOM 516 N VAL A 67 -4.638 10.818 -12.866 1.00 0.00 N ATOM 517 CA VAL A 67 -4.281 10.887 -14.309 1.00 0.00 C ATOM 518 C VAL A 67 -5.225 9.995 -15.115 1.00 0.00 C ATOM 519 O VAL A 67 -5.765 10.394 -16.127 1.00 0.00 O ATOM 520 CB VAL A 67 -2.850 10.356 -14.390 1.00 0.00 C ATOM 521 CG1 VAL A 67 -2.493 10.071 -15.849 1.00 0.00 C ATOM 522 CG2 VAL A 67 -1.885 11.397 -13.823 1.00 0.00 C ATOM 0 H VAL A 67 -3.919 10.423 -12.259 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.362 11.897 -14.711 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.772 9.436 -13.811 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.472 9.692 -15.907 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.179 9.327 -16.253 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.572 10.990 -16.429 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.865 11.017 -13.881 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -1.963 12.318 -14.401 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.138 11.599 -12.782 1.00 0.00 H new ATOM 532 N ALA A 68 -5.429 8.788 -14.666 1.00 0.00 N ATOM 533 CA ALA A 68 -6.339 7.864 -15.395 1.00 0.00 C ATOM 534 C ALA A 68 -7.700 8.528 -15.612 1.00 0.00 C ATOM 535 O ALA A 68 -8.215 8.566 -16.710 1.00 0.00 O ATOM 536 CB ALA A 68 -6.474 6.644 -14.481 1.00 0.00 C ATOM 0 H ALA A 68 -5.003 8.402 -13.823 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.957 7.595 -16.380 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.132 5.911 -14.947 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.492 6.199 -14.320 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -6.894 6.952 -13.523 1.00 0.00 H new ATOM 542 N ALA A 69 -8.286 9.051 -14.570 1.00 0.00 N ATOM 543 CA ALA A 69 -9.616 9.710 -14.713 1.00 0.00 C ATOM 544 C ALA A 69 -9.577 10.775 -15.815 1.00 0.00 C ATOM 545 O ALA A 69 -10.488 10.887 -16.612 1.00 0.00 O ATOM 546 CB ALA A 69 -9.882 10.355 -13.353 1.00 0.00 C ATOM 0 H ALA A 69 -7.901 9.051 -13.625 1.00 0.00 H new ATOM 0 HA ALA A 69 -10.396 9.002 -14.993 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -10.846 10.863 -13.374 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.894 9.585 -12.581 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -9.096 11.077 -13.133 1.00 0.00 H new ATOM 552 N GLN A 70 -8.537 11.564 -15.867 1.00 0.00 N ATOM 553 CA GLN A 70 -8.461 12.622 -16.918 1.00 0.00 C ATOM 554 C GLN A 70 -8.233 11.995 -18.296 1.00 0.00 C ATOM 555 O GLN A 70 -8.652 12.524 -19.305 1.00 0.00 O ATOM 556 CB GLN A 70 -7.270 13.493 -16.521 1.00 0.00 C ATOM 557 CG GLN A 70 -7.765 14.680 -15.693 1.00 0.00 C ATOM 558 CD GLN A 70 -8.112 14.209 -14.279 1.00 0.00 C ATOM 559 OE1 GLN A 70 -9.138 13.418 -14.096 1.00 0.00 O flip ATOM 560 NE2 GLN A 70 -7.443 14.560 -13.327 1.00 0.00 N flip ATOM 0 H GLN A 70 -7.740 11.523 -15.231 1.00 0.00 H new ATOM 0 HA GLN A 70 -9.384 13.198 -16.985 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -6.553 12.908 -15.946 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -6.751 13.847 -17.412 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -6.998 15.453 -15.652 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -8.641 15.125 -16.164 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -6.642 15.177 -13.466 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -7.682 14.238 -12.389 1.00 0.00 H new ATOM 569 N TYR A 71 -7.572 10.874 -18.347 1.00 0.00 N ATOM 570 CA TYR A 71 -7.322 10.220 -19.663 1.00 0.00 C ATOM 571 C TYR A 71 -8.207 8.980 -19.808 1.00 0.00 C ATOM 572 O TYR A 71 -8.037 8.185 -20.709 1.00 0.00 O ATOM 573 CB TYR A 71 -5.845 9.833 -19.638 1.00 0.00 C ATOM 574 CG TYR A 71 -5.008 11.084 -19.522 1.00 0.00 C ATOM 575 CD1 TYR A 71 -5.058 12.054 -20.529 1.00 0.00 C ATOM 576 CD2 TYR A 71 -4.186 11.276 -18.406 1.00 0.00 C ATOM 577 CE1 TYR A 71 -4.285 13.215 -20.422 1.00 0.00 C ATOM 578 CE2 TYR A 71 -3.413 12.437 -18.298 1.00 0.00 C ATOM 579 CZ TYR A 71 -3.462 13.407 -19.306 1.00 0.00 C ATOM 580 OH TYR A 71 -2.698 14.551 -19.200 1.00 0.00 O ATOM 0 H TYR A 71 -7.194 10.382 -17.537 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.553 10.874 -20.504 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.645 9.168 -18.798 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.584 9.289 -20.545 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -5.694 11.906 -21.389 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -4.148 10.528 -17.628 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -4.323 13.963 -21.200 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -2.778 12.585 -17.437 1.00 0.00 H new ATOM 0 HH TYR A 71 -2.186 14.526 -18.365 1.00 0.00 H new ATOM 590 N SER A 72 -9.154 8.817 -18.929 1.00 0.00 N ATOM 591 CA SER A 72 -10.057 7.640 -19.009 1.00 0.00 C ATOM 592 C SER A 72 -11.085 7.853 -20.118 1.00 0.00 C ATOM 593 O SER A 72 -12.256 8.045 -19.858 1.00 0.00 O ATOM 594 CB SER A 72 -10.743 7.585 -17.643 1.00 0.00 C ATOM 595 OG SER A 72 -11.460 8.795 -17.428 1.00 0.00 O ATOM 0 H SER A 72 -9.342 9.453 -18.154 1.00 0.00 H new ATOM 0 HA SER A 72 -9.527 6.715 -19.237 1.00 0.00 H new ATOM 0 HB2 SER A 72 -11.422 6.734 -17.598 1.00 0.00 H new ATOM 0 HB3 SER A 72 -10.002 7.443 -16.856 1.00 0.00 H new ATOM 0 HG SER A 72 -10.835 9.550 -17.429 1.00 0.00 H new ATOM 601 N GLU A 73 -10.665 7.830 -21.353 1.00 0.00 N ATOM 602 CA GLU A 73 -11.645 8.044 -22.456 1.00 0.00 C ATOM 603 C GLU A 73 -11.846 6.756 -23.256 1.00 0.00 C ATOM 604 O GLU A 73 -12.207 6.782 -24.416 1.00 0.00 O ATOM 605 CB GLU A 73 -11.054 9.153 -23.331 1.00 0.00 C ATOM 606 CG GLU A 73 -9.726 8.700 -23.937 1.00 0.00 C ATOM 607 CD GLU A 73 -9.034 9.903 -24.580 1.00 0.00 C ATOM 608 OE1 GLU A 73 -8.409 10.660 -23.856 1.00 0.00 O ATOM 609 OE2 GLU A 73 -9.142 10.046 -25.787 1.00 0.00 O ATOM 0 H GLU A 73 -9.700 7.675 -21.644 1.00 0.00 H new ATOM 0 HA GLU A 73 -12.626 8.325 -22.074 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.755 9.411 -24.125 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -10.901 10.053 -22.735 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -9.089 8.267 -23.166 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -9.898 7.923 -24.682 1.00 0.00 H new ATOM 616 N ASP A 74 -11.639 5.625 -22.636 1.00 0.00 N ATOM 617 CA ASP A 74 -11.848 4.334 -23.357 1.00 0.00 C ATOM 618 C ASP A 74 -13.203 3.748 -22.958 1.00 0.00 C ATOM 619 O ASP A 74 -13.493 2.592 -23.201 1.00 0.00 O ATOM 620 CB ASP A 74 -10.713 3.419 -22.905 1.00 0.00 C ATOM 621 CG ASP A 74 -10.739 3.277 -21.382 1.00 0.00 C ATOM 622 OD1 ASP A 74 -11.552 3.937 -20.759 1.00 0.00 O ATOM 623 OD2 ASP A 74 -9.944 2.508 -20.866 1.00 0.00 O ATOM 0 H ASP A 74 -11.336 5.538 -21.666 1.00 0.00 H new ATOM 0 HA ASP A 74 -11.845 4.457 -24.440 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -10.815 2.440 -23.373 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -9.755 3.827 -23.225 1.00 0.00 H new ATOM 628 N LYS A 75 -14.032 4.552 -22.343 1.00 0.00 N ATOM 629 CA LYS A 75 -15.377 4.076 -21.918 1.00 0.00 C ATOM 630 C LYS A 75 -15.964 3.142 -22.976 1.00 0.00 C ATOM 631 O LYS A 75 -16.639 2.180 -22.665 1.00 0.00 O ATOM 632 CB LYS A 75 -16.211 5.351 -21.806 1.00 0.00 C ATOM 633 CG LYS A 75 -17.611 5.006 -21.305 1.00 0.00 C ATOM 634 CD LYS A 75 -18.398 6.296 -21.080 1.00 0.00 C ATOM 635 CE LYS A 75 -19.623 6.002 -20.213 1.00 0.00 C ATOM 636 NZ LYS A 75 -20.782 6.090 -21.144 1.00 0.00 N ATOM 0 H LYS A 75 -13.830 5.526 -22.116 1.00 0.00 H new ATOM 0 HA LYS A 75 -15.350 3.515 -20.984 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -15.732 6.052 -21.122 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -16.272 5.844 -22.776 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -18.124 4.375 -22.031 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -17.548 4.438 -20.377 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -17.766 7.040 -20.595 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -18.709 6.716 -22.036 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -19.557 5.014 -19.757 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -19.714 6.722 -19.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -21.661 5.900 -20.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -20.824 7.043 -21.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -20.671 5.388 -21.903 1.00 0.00 H new ATOM 650 N ALA A 76 -15.704 3.415 -24.224 1.00 0.00 N ATOM 651 CA ALA A 76 -16.237 2.539 -25.302 1.00 0.00 C ATOM 652 C ALA A 76 -15.889 1.083 -24.997 1.00 0.00 C ATOM 653 O ALA A 76 -16.668 0.182 -25.234 1.00 0.00 O ATOM 654 CB ALA A 76 -15.532 3.007 -26.575 1.00 0.00 C ATOM 0 H ALA A 76 -15.146 4.207 -24.543 1.00 0.00 H new ATOM 0 HA ALA A 76 -17.321 2.599 -25.397 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -15.872 2.408 -27.420 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -15.766 4.056 -26.756 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -14.455 2.891 -26.458 1.00 0.00 H new ATOM 660 N ARG A 77 -14.722 0.851 -24.464 1.00 0.00 N ATOM 661 CA ARG A 77 -14.319 -0.541 -24.132 1.00 0.00 C ATOM 662 C ARG A 77 -13.998 -0.644 -22.641 1.00 0.00 C ATOM 663 O ARG A 77 -13.357 -1.574 -22.193 1.00 0.00 O ATOM 664 CB ARG A 77 -13.074 -0.807 -24.976 1.00 0.00 C ATOM 665 CG ARG A 77 -12.804 -2.310 -25.023 1.00 0.00 C ATOM 666 CD ARG A 77 -11.391 -2.556 -25.556 1.00 0.00 C ATOM 667 NE ARG A 77 -11.223 -4.035 -25.530 1.00 0.00 N ATOM 668 CZ ARG A 77 -11.779 -4.771 -26.454 1.00 0.00 C ATOM 669 NH1 ARG A 77 -11.818 -4.348 -27.689 1.00 0.00 N ATOM 670 NH2 ARG A 77 -12.296 -5.927 -26.143 1.00 0.00 N ATOM 0 H ARG A 77 -14.030 1.567 -24.244 1.00 0.00 H new ATOM 0 HA ARG A 77 -15.106 -1.266 -24.340 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -13.216 -0.420 -25.985 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -12.216 -0.285 -24.552 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -12.909 -2.741 -24.027 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -13.537 -2.802 -25.662 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -11.276 -2.163 -26.566 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -10.643 -2.063 -24.935 1.00 0.00 H new ATOM 0 HE ARG A 77 -10.674 -4.473 -24.791 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -11.414 -3.443 -27.931 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -12.252 -4.922 -28.411 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -12.266 -6.256 -25.178 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -12.730 -6.502 -26.865 1.00 0.00 H new ATOM 684 N GLN A 78 -14.447 0.309 -21.870 1.00 0.00 N ATOM 685 CA GLN A 78 -14.182 0.280 -20.403 1.00 0.00 C ATOM 686 C GLN A 78 -12.677 0.358 -20.125 1.00 0.00 C ATOM 687 O GLN A 78 -12.160 1.397 -19.762 1.00 0.00 O ATOM 688 CB GLN A 78 -14.763 -1.054 -19.923 1.00 0.00 C ATOM 689 CG GLN A 78 -14.800 -1.075 -18.395 1.00 0.00 C ATOM 690 CD GLN A 78 -16.161 -0.574 -17.913 1.00 0.00 C ATOM 691 OE1 GLN A 78 -16.833 0.266 -18.653 1.00 0.00 O flip ATOM 692 NE2 GLN A 78 -16.620 -0.949 -16.854 1.00 0.00 N flip ATOM 0 H GLN A 78 -14.988 1.110 -22.195 1.00 0.00 H new ATOM 0 HA GLN A 78 -14.632 1.127 -19.885 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -15.768 -1.190 -20.323 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -14.157 -1.881 -20.294 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -14.622 -2.087 -18.030 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -14.005 -0.447 -17.992 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -16.096 -1.605 -16.275 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -17.530 -0.608 -16.543 1.00 0.00 H new ATOM 701 N GLY A 79 -11.967 -0.727 -20.288 1.00 0.00 N ATOM 702 CA GLY A 79 -10.499 -0.703 -20.030 1.00 0.00 C ATOM 703 C GLY A 79 -10.238 -0.157 -18.624 1.00 0.00 C ATOM 704 O GLY A 79 -10.629 -0.747 -17.636 1.00 0.00 O ATOM 0 H GLY A 79 -12.340 -1.627 -20.588 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -10.086 -1.707 -20.124 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.998 -0.081 -20.772 1.00 0.00 H new ATOM 708 N GLY A 80 -9.582 0.966 -18.530 1.00 0.00 N ATOM 709 CA GLY A 80 -9.293 1.555 -17.193 1.00 0.00 C ATOM 710 C GLY A 80 -8.321 0.653 -16.434 1.00 0.00 C ATOM 711 O GLY A 80 -7.126 0.866 -16.438 1.00 0.00 O ATOM 0 H GLY A 80 -9.233 1.503 -19.324 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.866 2.551 -17.308 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -10.218 1.668 -16.627 1.00 0.00 H new ATOM 715 N ASP A 81 -8.826 -0.353 -15.782 1.00 0.00 N ATOM 716 CA ASP A 81 -7.931 -1.272 -15.019 1.00 0.00 C ATOM 717 C ASP A 81 -8.278 -2.731 -15.326 1.00 0.00 C ATOM 718 O ASP A 81 -9.432 -3.109 -15.375 1.00 0.00 O ATOM 719 CB ASP A 81 -8.203 -0.956 -13.548 1.00 0.00 C ATOM 720 CG ASP A 81 -9.659 -1.289 -13.218 1.00 0.00 C ATOM 721 OD1 ASP A 81 -10.532 -0.755 -13.882 1.00 0.00 O ATOM 722 OD2 ASP A 81 -9.875 -2.072 -12.309 1.00 0.00 O ATOM 0 H ASP A 81 -9.819 -0.582 -15.742 1.00 0.00 H new ATOM 0 HA ASP A 81 -6.882 -1.135 -15.281 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -7.533 -1.533 -12.911 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -8.005 0.097 -13.348 1.00 0.00 H new ATOM 727 N LEU A 82 -7.287 -3.552 -15.530 1.00 0.00 N ATOM 728 CA LEU A 82 -7.557 -4.985 -15.828 1.00 0.00 C ATOM 729 C LEU A 82 -7.315 -5.832 -14.575 1.00 0.00 C ATOM 730 O LEU A 82 -6.473 -5.519 -13.756 1.00 0.00 O ATOM 731 CB LEU A 82 -6.570 -5.346 -16.937 1.00 0.00 C ATOM 732 CG LEU A 82 -6.919 -4.554 -18.199 1.00 0.00 C ATOM 733 CD1 LEU A 82 -6.432 -3.111 -18.051 1.00 0.00 C ATOM 734 CD2 LEU A 82 -6.239 -5.196 -19.410 1.00 0.00 C ATOM 0 H LEU A 82 -6.301 -3.292 -15.503 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.587 -5.166 -16.134 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.551 -5.120 -16.621 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -6.610 -6.416 -17.142 1.00 0.00 H new ATOM 0 HG LEU A 82 -8.000 -4.560 -18.341 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -6.682 -2.549 -18.951 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -6.915 -2.650 -17.190 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.352 -3.105 -17.907 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -6.488 -4.632 -20.309 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.159 -5.191 -19.266 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -6.585 -6.224 -19.519 1.00 0.00 H new ATOM 746 N GLY A 83 -8.059 -6.892 -14.411 1.00 0.00 N ATOM 747 CA GLY A 83 -7.887 -7.748 -13.205 1.00 0.00 C ATOM 748 C GLY A 83 -6.629 -8.608 -13.333 1.00 0.00 C ATOM 749 O GLY A 83 -5.537 -8.109 -13.536 1.00 0.00 O ATOM 0 H GLY A 83 -8.780 -7.202 -15.063 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -7.818 -7.123 -12.315 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -8.760 -8.388 -13.078 1.00 0.00 H new ATOM 753 N TRP A 84 -6.776 -9.899 -13.197 1.00 0.00 N ATOM 754 CA TRP A 84 -5.595 -10.801 -13.287 1.00 0.00 C ATOM 755 C TRP A 84 -5.418 -11.334 -14.714 1.00 0.00 C ATOM 756 O TRP A 84 -6.346 -11.821 -15.329 1.00 0.00 O ATOM 757 CB TRP A 84 -5.905 -11.948 -12.324 1.00 0.00 C ATOM 758 CG TRP A 84 -5.773 -11.467 -10.915 1.00 0.00 C ATOM 759 CD1 TRP A 84 -6.800 -11.060 -10.137 1.00 0.00 C ATOM 760 CD2 TRP A 84 -4.568 -11.339 -10.105 1.00 0.00 C ATOM 761 NE1 TRP A 84 -6.305 -10.688 -8.900 1.00 0.00 N ATOM 762 CE2 TRP A 84 -4.934 -10.841 -8.832 1.00 0.00 C ATOM 763 CE3 TRP A 84 -3.208 -11.603 -10.348 1.00 0.00 C ATOM 764 CZ2 TRP A 84 -3.984 -10.613 -7.836 1.00 0.00 C ATOM 765 CZ3 TRP A 84 -2.249 -11.373 -9.347 1.00 0.00 C ATOM 766 CH2 TRP A 84 -2.638 -10.880 -8.093 1.00 0.00 C ATOM 0 H TRP A 84 -7.666 -10.367 -13.027 1.00 0.00 H new ATOM 0 HA TRP A 84 -4.669 -10.284 -13.034 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -6.914 -12.321 -12.499 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -5.223 -12.780 -12.501 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -7.838 -11.030 -10.433 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -6.882 -10.343 -8.133 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -2.899 -11.985 -11.310 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -4.288 -10.232 -6.872 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -1.207 -11.577 -9.544 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -1.897 -10.707 -7.327 1.00 0.00 H new ATOM 777 N MET A 85 -4.224 -11.259 -15.235 1.00 0.00 N ATOM 778 CA MET A 85 -3.964 -11.773 -16.610 1.00 0.00 C ATOM 779 C MET A 85 -2.777 -12.737 -16.568 1.00 0.00 C ATOM 780 O MET A 85 -1.698 -12.385 -16.135 1.00 0.00 O ATOM 781 CB MET A 85 -3.630 -10.537 -17.449 1.00 0.00 C ATOM 782 CG MET A 85 -3.436 -10.947 -18.911 1.00 0.00 C ATOM 783 SD MET A 85 -4.859 -10.400 -19.887 1.00 0.00 S ATOM 784 CE MET A 85 -5.997 -11.716 -19.389 1.00 0.00 C ATOM 0 H MET A 85 -3.412 -10.861 -14.764 1.00 0.00 H new ATOM 0 HA MET A 85 -4.814 -12.314 -17.026 1.00 0.00 H new ATOM 0 HB2 MET A 85 -4.432 -9.803 -17.370 1.00 0.00 H new ATOM 0 HB3 MET A 85 -2.725 -10.062 -17.071 1.00 0.00 H new ATOM 0 HG2 MET A 85 -2.520 -10.506 -19.305 1.00 0.00 H new ATOM 0 HG3 MET A 85 -3.326 -12.029 -18.985 1.00 0.00 H new ATOM 0 HE1 MET A 85 -6.722 -11.890 -20.184 1.00 0.00 H new ATOM 0 HE2 MET A 85 -5.435 -12.631 -19.203 1.00 0.00 H new ATOM 0 HE3 MET A 85 -6.520 -11.420 -18.480 1.00 0.00 H new ATOM 794 N THR A 86 -2.965 -13.953 -16.994 1.00 0.00 N ATOM 795 CA THR A 86 -1.844 -14.935 -16.952 1.00 0.00 C ATOM 796 C THR A 86 -0.788 -14.611 -18.016 1.00 0.00 C ATOM 797 O THR A 86 0.124 -13.844 -17.784 1.00 0.00 O ATOM 798 CB THR A 86 -2.500 -16.291 -17.221 1.00 0.00 C ATOM 799 OG1 THR A 86 -2.938 -16.349 -18.571 1.00 0.00 O ATOM 800 CG2 THR A 86 -3.700 -16.471 -16.289 1.00 0.00 C ATOM 0 H THR A 86 -3.844 -14.311 -17.369 1.00 0.00 H new ATOM 0 HA THR A 86 -1.320 -14.918 -15.996 1.00 0.00 H new ATOM 0 HB THR A 86 -1.775 -17.085 -17.040 1.00 0.00 H new ATOM 0 HG1 THR A 86 -3.356 -17.219 -18.742 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.168 -17.437 -16.480 1.00 0.00 H new ATOM 0 HG22 THR A 86 -3.365 -16.429 -15.253 1.00 0.00 H new ATOM 0 HG23 THR A 86 -4.423 -15.676 -16.469 1.00 0.00 H new ATOM 808 N ARG A 87 -0.898 -15.199 -19.171 1.00 0.00 N ATOM 809 CA ARG A 87 0.105 -14.941 -20.245 1.00 0.00 C ATOM 810 C ARG A 87 -0.290 -13.714 -21.071 1.00 0.00 C ATOM 811 O ARG A 87 0.547 -12.935 -21.480 1.00 0.00 O ATOM 812 CB ARG A 87 0.072 -16.199 -21.114 1.00 0.00 C ATOM 813 CG ARG A 87 -1.284 -16.290 -21.817 1.00 0.00 C ATOM 814 CD ARG A 87 -1.447 -17.676 -22.444 1.00 0.00 C ATOM 815 NE ARG A 87 -2.412 -18.387 -21.561 1.00 0.00 N ATOM 816 CZ ARG A 87 -1.983 -19.280 -20.712 1.00 0.00 C ATOM 817 NH1 ARG A 87 -1.417 -18.900 -19.600 1.00 0.00 N ATOM 818 NH2 ARG A 87 -2.118 -20.550 -20.976 1.00 0.00 N ATOM 0 H ARG A 87 -1.642 -15.851 -19.422 1.00 0.00 H new ATOM 0 HA ARG A 87 1.097 -14.739 -19.841 1.00 0.00 H new ATOM 0 HB2 ARG A 87 0.875 -16.168 -21.850 1.00 0.00 H new ATOM 0 HB3 ARG A 87 0.237 -17.084 -20.500 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -2.087 -16.106 -21.104 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -1.358 -15.521 -22.586 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -1.824 -17.606 -23.464 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -0.494 -18.202 -22.492 1.00 0.00 H new ATOM 0 HE ARG A 87 -3.408 -18.176 -21.620 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -1.311 -17.906 -19.396 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -1.081 -19.596 -18.935 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -2.559 -20.846 -21.847 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -1.782 -21.247 -20.312 1.00 0.00 H new ATOM 832 N GLY A 88 -1.557 -13.538 -21.324 1.00 0.00 N ATOM 833 CA GLY A 88 -1.998 -12.366 -22.129 1.00 0.00 C ATOM 834 C GLY A 88 -1.303 -12.394 -23.491 1.00 0.00 C ATOM 835 O GLY A 88 -0.356 -11.674 -23.730 1.00 0.00 O ATOM 0 H GLY A 88 -2.305 -14.155 -21.008 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -3.080 -12.387 -22.260 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -1.759 -11.440 -21.605 1.00 0.00 H new ATOM 839 N SER A 89 -1.767 -13.222 -24.386 1.00 0.00 N ATOM 840 CA SER A 89 -1.138 -13.298 -25.736 1.00 0.00 C ATOM 841 C SER A 89 -2.195 -13.045 -26.813 1.00 0.00 C ATOM 842 O SER A 89 -2.999 -13.902 -27.118 1.00 0.00 O ATOM 843 CB SER A 89 -0.594 -14.722 -25.842 1.00 0.00 C ATOM 844 OG SER A 89 -1.673 -15.643 -25.768 1.00 0.00 O ATOM 0 H SER A 89 -2.557 -13.851 -24.241 1.00 0.00 H new ATOM 0 HA SER A 89 -0.352 -12.555 -25.873 1.00 0.00 H new ATOM 0 HB2 SER A 89 -0.056 -14.849 -26.781 1.00 0.00 H new ATOM 0 HB3 SER A 89 0.118 -14.913 -25.039 1.00 0.00 H new ATOM 0 HG SER A 89 -2.426 -15.308 -26.299 1.00 0.00 H new ATOM 850 N MET A 90 -2.208 -11.873 -27.386 1.00 0.00 N ATOM 851 CA MET A 90 -3.226 -11.574 -28.433 1.00 0.00 C ATOM 852 C MET A 90 -2.622 -10.731 -29.562 1.00 0.00 C ATOM 853 O MET A 90 -2.183 -11.250 -30.571 1.00 0.00 O ATOM 854 CB MET A 90 -4.313 -10.784 -27.704 1.00 0.00 C ATOM 855 CG MET A 90 -4.977 -11.675 -26.654 1.00 0.00 C ATOM 856 SD MET A 90 -6.772 -11.472 -26.744 1.00 0.00 S ATOM 857 CE MET A 90 -7.045 -11.099 -24.994 1.00 0.00 C ATOM 0 H MET A 90 -1.561 -11.113 -27.176 1.00 0.00 H new ATOM 0 HA MET A 90 -3.610 -12.482 -28.897 1.00 0.00 H new ATOM 0 HB2 MET A 90 -3.880 -9.904 -27.228 1.00 0.00 H new ATOM 0 HB3 MET A 90 -5.057 -10.427 -28.416 1.00 0.00 H new ATOM 0 HG2 MET A 90 -4.709 -12.718 -26.823 1.00 0.00 H new ATOM 0 HG3 MET A 90 -4.619 -11.412 -25.659 1.00 0.00 H new ATOM 0 HE1 MET A 90 -8.108 -10.934 -24.819 1.00 0.00 H new ATOM 0 HE2 MET A 90 -6.702 -11.936 -24.386 1.00 0.00 H new ATOM 0 HE3 MET A 90 -6.489 -10.202 -24.722 1.00 0.00 H new ATOM 867 N VAL A 91 -2.616 -9.435 -29.408 1.00 0.00 N ATOM 868 CA VAL A 91 -2.060 -8.558 -30.482 1.00 0.00 C ATOM 869 C VAL A 91 -0.544 -8.748 -30.626 1.00 0.00 C ATOM 870 O VAL A 91 -0.030 -8.811 -31.725 1.00 0.00 O ATOM 871 CB VAL A 91 -2.410 -7.122 -30.072 1.00 0.00 C ATOM 872 CG1 VAL A 91 -3.914 -6.903 -30.239 1.00 0.00 C ATOM 873 CG2 VAL A 91 -2.021 -6.866 -28.612 1.00 0.00 C ATOM 0 H VAL A 91 -2.971 -8.945 -28.587 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.483 -8.804 -31.456 1.00 0.00 H new ATOM 0 HB VAL A 91 -1.856 -6.431 -30.708 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.168 -5.883 -29.949 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.192 -7.063 -31.281 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.456 -7.606 -29.607 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.278 -5.842 -28.341 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.560 -7.558 -27.965 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -0.948 -7.016 -28.490 1.00 0.00 H new ATOM 883 N GLY A 92 0.183 -8.860 -29.544 1.00 0.00 N ATOM 884 CA GLY A 92 1.656 -9.066 -29.676 1.00 0.00 C ATOM 885 C GLY A 92 2.436 -8.112 -28.763 1.00 0.00 C ATOM 886 O GLY A 92 2.940 -8.515 -27.735 1.00 0.00 O ATOM 0 H GLY A 92 -0.173 -8.819 -28.589 1.00 0.00 H new ATOM 0 HA2 GLY A 92 1.905 -10.097 -29.426 1.00 0.00 H new ATOM 0 HA3 GLY A 92 1.956 -8.908 -30.712 1.00 0.00 H new ATOM 890 N PRO A 93 2.536 -6.881 -29.186 1.00 0.00 N ATOM 891 CA PRO A 93 3.299 -5.861 -28.412 1.00 0.00 C ATOM 892 C PRO A 93 2.625 -5.531 -27.075 1.00 0.00 C ATOM 893 O PRO A 93 3.270 -5.088 -26.145 1.00 0.00 O ATOM 894 CB PRO A 93 3.309 -4.648 -29.340 1.00 0.00 C ATOM 895 CG PRO A 93 2.118 -4.833 -30.223 1.00 0.00 C ATOM 896 CD PRO A 93 1.951 -6.319 -30.406 1.00 0.00 C ATOM 0 HA PRO A 93 4.298 -6.205 -28.143 1.00 0.00 H new ATOM 0 HB2 PRO A 93 3.242 -3.718 -28.776 1.00 0.00 H new ATOM 0 HB3 PRO A 93 4.230 -4.603 -29.922 1.00 0.00 H new ATOM 0 HG2 PRO A 93 1.228 -4.395 -29.771 1.00 0.00 H new ATOM 0 HG3 PRO A 93 2.265 -4.338 -31.183 1.00 0.00 H new ATOM 0 HD2 PRO A 93 0.902 -6.595 -30.512 1.00 0.00 H new ATOM 0 HD3 PRO A 93 2.466 -6.674 -31.299 1.00 0.00 H new ATOM 904 N PHE A 94 1.342 -5.737 -26.959 1.00 0.00 N ATOM 905 CA PHE A 94 0.662 -5.422 -25.667 1.00 0.00 C ATOM 906 C PHE A 94 1.223 -6.300 -24.542 1.00 0.00 C ATOM 907 O PHE A 94 1.548 -5.822 -23.474 1.00 0.00 O ATOM 908 CB PHE A 94 -0.815 -5.739 -25.901 1.00 0.00 C ATOM 909 CG PHE A 94 -1.626 -5.221 -24.738 1.00 0.00 C ATOM 910 CD1 PHE A 94 -1.847 -6.039 -23.624 1.00 0.00 C ATOM 911 CD2 PHE A 94 -2.154 -3.925 -24.771 1.00 0.00 C ATOM 912 CE1 PHE A 94 -2.596 -5.559 -22.542 1.00 0.00 C ATOM 913 CE2 PHE A 94 -2.902 -3.446 -23.688 1.00 0.00 C ATOM 914 CZ PHE A 94 -3.123 -4.262 -22.575 1.00 0.00 C ATOM 0 H PHE A 94 0.738 -6.106 -27.694 1.00 0.00 H new ATOM 0 HA PHE A 94 0.814 -4.385 -25.369 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -1.155 -5.280 -26.829 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -0.956 -6.815 -26.007 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -1.440 -7.039 -23.599 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -1.985 -3.295 -25.631 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -2.767 -6.189 -21.682 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -3.308 -2.446 -23.713 1.00 0.00 H new ATOM 0 HZ PHE A 94 -3.700 -3.892 -21.740 1.00 0.00 H new ATOM 924 N GLN A 95 1.332 -7.579 -24.772 1.00 0.00 N ATOM 925 CA GLN A 95 1.864 -8.485 -23.714 1.00 0.00 C ATOM 926 C GLN A 95 3.390 -8.384 -23.638 1.00 0.00 C ATOM 927 O GLN A 95 3.970 -8.422 -22.570 1.00 0.00 O ATOM 928 CB GLN A 95 1.441 -9.888 -24.150 1.00 0.00 C ATOM 929 CG GLN A 95 2.299 -10.339 -25.334 1.00 0.00 C ATOM 930 CD GLN A 95 1.864 -11.736 -25.778 1.00 0.00 C ATOM 931 OE1 GLN A 95 1.736 -12.681 -24.887 1.00 0.00 O flip ATOM 932 NE2 GLN A 95 1.639 -11.973 -26.949 1.00 0.00 N flip ATOM 0 H GLN A 95 1.076 -8.037 -25.647 1.00 0.00 H new ATOM 0 HA GLN A 95 1.484 -8.230 -22.725 1.00 0.00 H new ATOM 0 HB2 GLN A 95 1.552 -10.586 -23.321 1.00 0.00 H new ATOM 0 HB3 GLN A 95 0.387 -9.891 -24.430 1.00 0.00 H new ATOM 0 HG2 GLN A 95 2.196 -9.635 -26.160 1.00 0.00 H new ATOM 0 HG3 GLN A 95 3.352 -10.347 -25.051 1.00 0.00 H new ATOM 0 HE21 GLN A 95 1.738 -11.236 -27.647 1.00 0.00 H new ATOM 0 HE22 GLN A 95 1.351 -12.909 -27.234 1.00 0.00 H new ATOM 941 N GLU A 96 4.045 -8.257 -24.759 1.00 0.00 N ATOM 942 CA GLU A 96 5.532 -8.158 -24.742 1.00 0.00 C ATOM 943 C GLU A 96 5.975 -7.007 -23.834 1.00 0.00 C ATOM 944 O GLU A 96 7.015 -7.064 -23.208 1.00 0.00 O ATOM 945 CB GLU A 96 5.932 -7.885 -26.192 1.00 0.00 C ATOM 946 CG GLU A 96 5.667 -9.135 -27.033 1.00 0.00 C ATOM 947 CD GLU A 96 5.954 -8.833 -28.505 1.00 0.00 C ATOM 948 OE1 GLU A 96 5.799 -7.686 -28.894 1.00 0.00 O ATOM 949 OE2 GLU A 96 6.325 -9.751 -29.216 1.00 0.00 O ATOM 0 H GLU A 96 3.616 -8.218 -25.684 1.00 0.00 H new ATOM 0 HA GLU A 96 6.001 -9.064 -24.357 1.00 0.00 H new ATOM 0 HB2 GLU A 96 5.365 -7.041 -26.585 1.00 0.00 H new ATOM 0 HB3 GLU A 96 6.986 -7.613 -26.246 1.00 0.00 H new ATOM 0 HG2 GLU A 96 6.296 -9.956 -26.690 1.00 0.00 H new ATOM 0 HG3 GLU A 96 4.632 -9.455 -26.912 1.00 0.00 H new ATOM 956 N ALA A 97 5.194 -5.966 -23.753 1.00 0.00 N ATOM 957 CA ALA A 97 5.576 -4.818 -22.881 1.00 0.00 C ATOM 958 C ALA A 97 5.104 -5.069 -21.447 1.00 0.00 C ATOM 959 O ALA A 97 5.801 -4.778 -20.494 1.00 0.00 O ATOM 960 CB ALA A 97 4.860 -3.608 -23.479 1.00 0.00 C ATOM 0 H ALA A 97 4.310 -5.860 -24.251 1.00 0.00 H new ATOM 0 HA ALA A 97 6.655 -4.670 -22.840 1.00 0.00 H new ATOM 0 HB1 ALA A 97 5.092 -2.720 -22.890 1.00 0.00 H new ATOM 0 HB2 ALA A 97 5.193 -3.459 -24.506 1.00 0.00 H new ATOM 0 HB3 ALA A 97 3.784 -3.780 -23.467 1.00 0.00 H new ATOM 966 N ALA A 98 3.928 -5.610 -21.284 1.00 0.00 N ATOM 967 CA ALA A 98 3.421 -5.881 -19.908 1.00 0.00 C ATOM 968 C ALA A 98 4.432 -6.739 -19.141 1.00 0.00 C ATOM 969 O ALA A 98 4.925 -6.352 -18.098 1.00 0.00 O ATOM 970 CB ALA A 98 2.108 -6.643 -20.112 1.00 0.00 C ATOM 0 H ALA A 98 3.298 -5.876 -22.041 1.00 0.00 H new ATOM 0 HA ALA A 98 3.272 -4.969 -19.330 1.00 0.00 H new ATOM 0 HB1 ALA A 98 1.671 -6.880 -19.142 1.00 0.00 H new ATOM 0 HB2 ALA A 98 1.414 -6.026 -20.682 1.00 0.00 H new ATOM 0 HB3 ALA A 98 2.304 -7.566 -20.657 1.00 0.00 H new ATOM 976 N PHE A 99 4.748 -7.900 -19.651 1.00 0.00 N ATOM 977 CA PHE A 99 5.732 -8.780 -18.956 1.00 0.00 C ATOM 978 C PHE A 99 7.136 -8.181 -19.062 1.00 0.00 C ATOM 979 O PHE A 99 7.949 -8.316 -18.169 1.00 0.00 O ATOM 980 CB PHE A 99 5.668 -10.115 -19.697 1.00 0.00 C ATOM 981 CG PHE A 99 4.712 -11.047 -18.988 1.00 0.00 C ATOM 982 CD1 PHE A 99 5.123 -11.731 -17.836 1.00 0.00 C ATOM 983 CD2 PHE A 99 3.418 -11.231 -19.486 1.00 0.00 C ATOM 984 CE1 PHE A 99 4.236 -12.601 -17.185 1.00 0.00 C ATOM 985 CE2 PHE A 99 2.533 -12.098 -18.835 1.00 0.00 C ATOM 986 CZ PHE A 99 2.940 -12.783 -17.687 1.00 0.00 C ATOM 0 H PHE A 99 4.367 -8.277 -20.519 1.00 0.00 H new ATOM 0 HA PHE A 99 5.507 -8.892 -17.895 1.00 0.00 H new ATOM 0 HB2 PHE A 99 5.341 -9.956 -20.725 1.00 0.00 H new ATOM 0 HB3 PHE A 99 6.660 -10.564 -19.744 1.00 0.00 H new ATOM 0 HD1 PHE A 99 6.122 -11.588 -17.450 1.00 0.00 H new ATOM 0 HD2 PHE A 99 3.101 -10.704 -20.374 1.00 0.00 H new ATOM 0 HE1 PHE A 99 4.551 -13.130 -16.298 1.00 0.00 H new ATOM 0 HE2 PHE A 99 1.534 -12.238 -19.220 1.00 0.00 H new ATOM 0 HZ PHE A 99 2.256 -13.453 -17.187 1.00 0.00 H new ATOM 996 N ALA A 100 7.421 -7.504 -20.142 1.00 0.00 N ATOM 997 CA ALA A 100 8.768 -6.882 -20.296 1.00 0.00 C ATOM 998 C ALA A 100 9.105 -6.078 -19.040 1.00 0.00 C ATOM 999 O ALA A 100 10.238 -6.030 -18.605 1.00 0.00 O ATOM 1000 CB ALA A 100 8.652 -5.964 -21.515 1.00 0.00 C ATOM 0 H ALA A 100 6.781 -7.355 -20.922 1.00 0.00 H new ATOM 0 HA ALA A 100 9.558 -7.621 -20.430 1.00 0.00 H new ATOM 0 HB1 ALA A 100 9.608 -5.470 -21.691 1.00 0.00 H new ATOM 0 HB2 ALA A 100 8.382 -6.554 -22.391 1.00 0.00 H new ATOM 0 HB3 ALA A 100 7.884 -5.213 -21.333 1.00 0.00 H new ATOM 1006 N LEU A 101 8.121 -5.462 -18.444 1.00 0.00 N ATOM 1007 CA LEU A 101 8.371 -4.674 -17.203 1.00 0.00 C ATOM 1008 C LEU A 101 8.911 -5.600 -16.107 1.00 0.00 C ATOM 1009 O LEU A 101 8.503 -6.740 -16.009 1.00 0.00 O ATOM 1010 CB LEU A 101 6.994 -4.130 -16.813 1.00 0.00 C ATOM 1011 CG LEU A 101 7.141 -2.996 -15.794 1.00 0.00 C ATOM 1012 CD1 LEU A 101 5.893 -2.116 -15.830 1.00 0.00 C ATOM 1013 CD2 LEU A 101 7.299 -3.586 -14.392 1.00 0.00 C ATOM 0 H LEU A 101 7.152 -5.470 -18.763 1.00 0.00 H new ATOM 0 HA LEU A 101 9.103 -3.878 -17.344 1.00 0.00 H new ATOM 0 HB2 LEU A 101 6.474 -3.767 -17.700 1.00 0.00 H new ATOM 0 HB3 LEU A 101 6.385 -4.930 -16.392 1.00 0.00 H new ATOM 0 HG LEU A 101 8.019 -2.399 -16.041 1.00 0.00 H new ATOM 0 HD11 LEU A 101 5.996 -1.308 -15.105 1.00 0.00 H new ATOM 0 HD12 LEU A 101 5.774 -1.695 -16.828 1.00 0.00 H new ATOM 0 HD13 LEU A 101 5.017 -2.716 -15.582 1.00 0.00 H new ATOM 0 HD21 LEU A 101 7.404 -2.779 -13.667 1.00 0.00 H new ATOM 0 HD22 LEU A 101 6.420 -4.182 -14.147 1.00 0.00 H new ATOM 0 HD23 LEU A 101 8.186 -4.218 -14.361 1.00 0.00 H new ATOM 1138 N VAL A 110 6.320 -0.285 -11.603 1.00 0.00 N ATOM 1139 CA VAL A 110 6.373 0.744 -12.680 1.00 0.00 C ATOM 1140 C VAL A 110 5.314 0.473 -13.746 1.00 0.00 C ATOM 1141 O VAL A 110 4.643 -0.547 -13.739 1.00 0.00 O ATOM 1142 CB VAL A 110 7.774 0.617 -13.276 1.00 0.00 C ATOM 1143 CG1 VAL A 110 7.934 1.604 -14.433 1.00 0.00 C ATOM 1144 CG2 VAL A 110 8.810 0.930 -12.200 1.00 0.00 C ATOM 0 HA VAL A 110 6.175 1.745 -12.295 1.00 0.00 H new ATOM 0 HB VAL A 110 7.919 -0.399 -13.644 1.00 0.00 H new ATOM 0 HG11 VAL A 110 8.934 1.510 -14.855 1.00 0.00 H new ATOM 0 HG12 VAL A 110 7.193 1.386 -15.202 1.00 0.00 H new ATOM 0 HG13 VAL A 110 7.788 2.620 -14.067 1.00 0.00 H new ATOM 0 HG21 VAL A 110 9.811 0.840 -12.622 1.00 0.00 H new ATOM 0 HG22 VAL A 110 8.660 1.946 -11.835 1.00 0.00 H new ATOM 0 HG23 VAL A 110 8.700 0.228 -11.374 1.00 0.00 H new ATOM 1154 N PHE A 111 5.159 1.382 -14.666 1.00 0.00 N ATOM 1155 CA PHE A 111 4.153 1.187 -15.733 1.00 0.00 C ATOM 1156 C PHE A 111 4.827 1.188 -17.105 1.00 0.00 C ATOM 1157 O PHE A 111 5.955 1.611 -17.257 1.00 0.00 O ATOM 1158 CB PHE A 111 3.196 2.373 -15.599 1.00 0.00 C ATOM 1159 CG PHE A 111 3.970 3.657 -15.780 1.00 0.00 C ATOM 1160 CD1 PHE A 111 4.572 4.274 -14.676 1.00 0.00 C ATOM 1161 CD2 PHE A 111 4.089 4.227 -17.053 1.00 0.00 C ATOM 1162 CE1 PHE A 111 5.292 5.463 -14.846 1.00 0.00 C ATOM 1163 CE2 PHE A 111 4.809 5.416 -17.222 1.00 0.00 C ATOM 1164 CZ PHE A 111 5.412 6.033 -16.120 1.00 0.00 C ATOM 0 H PHE A 111 5.689 2.252 -14.721 1.00 0.00 H new ATOM 0 HA PHE A 111 3.633 0.234 -15.640 1.00 0.00 H new ATOM 0 HB2 PHE A 111 2.404 2.303 -16.345 1.00 0.00 H new ATOM 0 HB3 PHE A 111 2.715 2.359 -14.621 1.00 0.00 H new ATOM 0 HD1 PHE A 111 4.481 3.833 -13.694 1.00 0.00 H new ATOM 0 HD2 PHE A 111 3.626 3.750 -17.904 1.00 0.00 H new ATOM 0 HE1 PHE A 111 5.755 5.941 -13.995 1.00 0.00 H new ATOM 0 HE2 PHE A 111 4.899 5.857 -18.204 1.00 0.00 H new ATOM 0 HZ PHE A 111 5.970 6.948 -16.252 1.00 0.00 H new ATOM 1174 N THR A 112 4.138 0.712 -18.104 1.00 0.00 N ATOM 1175 CA THR A 112 4.725 0.673 -19.472 1.00 0.00 C ATOM 1176 C THR A 112 5.338 2.031 -19.833 1.00 0.00 C ATOM 1177 O THR A 112 4.659 2.926 -20.296 1.00 0.00 O ATOM 1178 CB THR A 112 3.543 0.351 -20.386 1.00 0.00 C ATOM 1179 OG1 THR A 112 2.773 -0.692 -19.803 1.00 0.00 O ATOM 1180 CG2 THR A 112 4.058 -0.092 -21.755 1.00 0.00 C ATOM 0 H THR A 112 3.189 0.346 -18.031 1.00 0.00 H new ATOM 0 HA THR A 112 5.527 -0.060 -19.561 1.00 0.00 H new ATOM 0 HB THR A 112 2.922 1.239 -20.509 1.00 0.00 H new ATOM 0 HG1 THR A 112 2.347 -1.219 -20.511 1.00 0.00 H new ATOM 0 HG21 THR A 112 3.213 -0.321 -22.405 1.00 0.00 H new ATOM 0 HG22 THR A 112 4.650 0.709 -22.198 1.00 0.00 H new ATOM 0 HG23 THR A 112 4.679 -0.981 -21.640 1.00 0.00 H new ATOM 1188 N ASP A 113 6.619 2.187 -19.628 1.00 0.00 N ATOM 1189 CA ASP A 113 7.276 3.483 -19.964 1.00 0.00 C ATOM 1190 C ASP A 113 8.491 3.239 -20.877 1.00 0.00 C ATOM 1191 O ASP A 113 9.408 2.534 -20.500 1.00 0.00 O ATOM 1192 CB ASP A 113 7.725 4.060 -18.620 1.00 0.00 C ATOM 1193 CG ASP A 113 8.682 3.084 -17.935 1.00 0.00 C ATOM 1194 OD1 ASP A 113 8.711 1.932 -18.338 1.00 0.00 O ATOM 1195 OD2 ASP A 113 9.369 3.504 -17.019 1.00 0.00 O ATOM 0 H ASP A 113 7.238 1.474 -19.243 1.00 0.00 H new ATOM 0 HA ASP A 113 6.607 4.160 -20.496 1.00 0.00 H new ATOM 0 HB2 ASP A 113 8.217 5.021 -18.772 1.00 0.00 H new ATOM 0 HB3 ASP A 113 6.859 4.242 -17.984 1.00 0.00 H new ATOM 1200 N PRO A 114 8.466 3.821 -22.056 1.00 0.00 N ATOM 1201 CA PRO A 114 7.327 4.674 -22.479 1.00 0.00 C ATOM 1202 C PRO A 114 6.112 3.798 -22.786 1.00 0.00 C ATOM 1203 O PRO A 114 6.235 2.597 -22.923 1.00 0.00 O ATOM 1204 CB PRO A 114 7.839 5.364 -23.739 1.00 0.00 C ATOM 1205 CG PRO A 114 8.900 4.458 -24.274 1.00 0.00 C ATOM 1206 CD PRO A 114 9.495 3.726 -23.099 1.00 0.00 C ATOM 0 HA PRO A 114 7.011 5.387 -21.718 1.00 0.00 H new ATOM 0 HB2 PRO A 114 7.038 5.505 -24.465 1.00 0.00 H new ATOM 0 HB3 PRO A 114 8.241 6.351 -23.512 1.00 0.00 H new ATOM 0 HG2 PRO A 114 8.479 3.755 -24.992 1.00 0.00 H new ATOM 0 HG3 PRO A 114 9.665 5.030 -24.799 1.00 0.00 H new ATOM 0 HD2 PRO A 114 9.716 2.688 -23.347 1.00 0.00 H new ATOM 0 HD3 PRO A 114 10.431 4.183 -22.778 1.00 0.00 H new ATOM 1214 N PRO A 115 4.975 4.426 -22.887 1.00 0.00 N ATOM 1215 CA PRO A 115 3.732 3.679 -23.185 1.00 0.00 C ATOM 1216 C PRO A 115 3.755 3.195 -24.633 1.00 0.00 C ATOM 1217 O PRO A 115 4.685 3.458 -25.369 1.00 0.00 O ATOM 1218 CB PRO A 115 2.629 4.711 -22.963 1.00 0.00 C ATOM 1219 CG PRO A 115 3.297 6.035 -23.161 1.00 0.00 C ATOM 1220 CD PRO A 115 4.737 5.867 -22.745 1.00 0.00 C ATOM 0 HA PRO A 115 3.596 2.792 -22.567 1.00 0.00 H new ATOM 0 HB2 PRO A 115 1.810 4.572 -23.669 1.00 0.00 H new ATOM 0 HB3 PRO A 115 2.205 4.628 -21.962 1.00 0.00 H new ATOM 0 HG2 PRO A 115 3.230 6.349 -24.203 1.00 0.00 H new ATOM 0 HG3 PRO A 115 2.810 6.806 -22.564 1.00 0.00 H new ATOM 0 HD2 PRO A 115 5.407 6.448 -23.379 1.00 0.00 H new ATOM 0 HD3 PRO A 115 4.899 6.200 -21.720 1.00 0.00 H new ATOM 1228 N VAL A 116 2.743 2.492 -25.052 1.00 0.00 N ATOM 1229 CA VAL A 116 2.723 2.002 -26.456 1.00 0.00 C ATOM 1230 C VAL A 116 1.811 2.885 -27.308 1.00 0.00 C ATOM 1231 O VAL A 116 0.980 3.613 -26.800 1.00 0.00 O ATOM 1232 CB VAL A 116 2.181 0.575 -26.378 1.00 0.00 C ATOM 1233 CG1 VAL A 116 3.149 -0.295 -25.573 1.00 0.00 C ATOM 1234 CG2 VAL A 116 0.812 0.583 -25.695 1.00 0.00 C ATOM 0 H VAL A 116 1.933 2.236 -24.487 1.00 0.00 H new ATOM 0 HA VAL A 116 3.710 2.030 -26.917 1.00 0.00 H new ATOM 0 HB VAL A 116 2.080 0.170 -27.385 1.00 0.00 H new ATOM 0 HG11 VAL A 116 2.763 -1.313 -25.517 1.00 0.00 H new ATOM 0 HG12 VAL A 116 4.123 -0.303 -26.061 1.00 0.00 H new ATOM 0 HG13 VAL A 116 3.251 0.110 -24.566 1.00 0.00 H new ATOM 0 HG21 VAL A 116 0.427 -0.435 -25.640 1.00 0.00 H new ATOM 0 HG22 VAL A 116 0.910 0.989 -24.688 1.00 0.00 H new ATOM 0 HG23 VAL A 116 0.122 1.201 -26.270 1.00 0.00 H new ATOM 1244 N LYS A 117 1.960 2.820 -28.600 1.00 0.00 N ATOM 1245 CA LYS A 117 1.107 3.648 -29.496 1.00 0.00 C ATOM 1246 C LYS A 117 0.401 2.739 -30.498 1.00 0.00 C ATOM 1247 O LYS A 117 1.032 2.052 -31.276 1.00 0.00 O ATOM 1248 CB LYS A 117 2.068 4.595 -30.214 1.00 0.00 C ATOM 1249 CG LYS A 117 1.268 5.543 -31.109 1.00 0.00 C ATOM 1250 CD LYS A 117 2.221 6.323 -32.017 1.00 0.00 C ATOM 1251 CE LYS A 117 1.423 7.335 -32.843 1.00 0.00 C ATOM 1252 NZ LYS A 117 1.192 6.667 -34.154 1.00 0.00 N ATOM 0 H LYS A 117 2.639 2.226 -29.077 1.00 0.00 H new ATOM 0 HA LYS A 117 0.340 4.200 -28.952 1.00 0.00 H new ATOM 0 HB2 LYS A 117 2.647 5.165 -29.487 1.00 0.00 H new ATOM 0 HB3 LYS A 117 2.779 4.025 -30.812 1.00 0.00 H new ATOM 0 HG2 LYS A 117 0.558 4.977 -31.712 1.00 0.00 H new ATOM 0 HG3 LYS A 117 0.687 6.233 -30.497 1.00 0.00 H new ATOM 0 HD2 LYS A 117 2.972 6.838 -31.418 1.00 0.00 H new ATOM 0 HD3 LYS A 117 2.754 5.638 -32.677 1.00 0.00 H new ATOM 0 HE2 LYS A 117 0.480 7.586 -32.356 1.00 0.00 H new ATOM 0 HE3 LYS A 117 1.975 8.266 -32.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 0.650 7.300 -34.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 2.107 6.446 -34.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 0.658 5.787 -34.006 1.00 0.00 H new ATOM 1266 N THR A 118 -0.898 2.714 -30.477 1.00 0.00 N ATOM 1267 CA THR A 118 -1.629 1.830 -31.421 1.00 0.00 C ATOM 1268 C THR A 118 -2.823 2.561 -32.032 1.00 0.00 C ATOM 1269 O THR A 118 -3.168 3.654 -31.632 1.00 0.00 O ATOM 1270 CB THR A 118 -2.099 0.662 -30.560 1.00 0.00 C ATOM 1271 OG1 THR A 118 -2.861 1.165 -29.472 1.00 0.00 O ATOM 1272 CG2 THR A 118 -0.889 -0.104 -30.025 1.00 0.00 C ATOM 0 H THR A 118 -1.484 3.265 -29.850 1.00 0.00 H new ATOM 0 HA THR A 118 -1.006 1.509 -32.255 1.00 0.00 H new ATOM 0 HB THR A 118 -2.712 -0.011 -31.160 1.00 0.00 H new ATOM 0 HG1 THR A 118 -3.590 0.543 -29.268 1.00 0.00 H new ATOM 0 HG21 THR A 118 -1.229 -0.938 -29.410 1.00 0.00 H new ATOM 0 HG22 THR A 118 -0.301 -0.485 -30.860 1.00 0.00 H new ATOM 0 HG23 THR A 118 -0.273 0.564 -29.422 1.00 0.00 H new ATOM 1280 N LYS A 119 -3.455 1.958 -33.001 1.00 0.00 N ATOM 1281 CA LYS A 119 -4.629 2.611 -33.642 1.00 0.00 C ATOM 1282 C LYS A 119 -5.775 2.746 -32.637 1.00 0.00 C ATOM 1283 O LYS A 119 -6.758 3.412 -32.895 1.00 0.00 O ATOM 1284 CB LYS A 119 -5.020 1.682 -34.791 1.00 0.00 C ATOM 1285 CG LYS A 119 -3.921 1.704 -35.854 1.00 0.00 C ATOM 1286 CD LYS A 119 -3.723 0.295 -36.415 1.00 0.00 C ATOM 1287 CE LYS A 119 -3.873 0.328 -37.937 1.00 0.00 C ATOM 1288 NZ LYS A 119 -3.113 -0.857 -38.424 1.00 0.00 N ATOM 0 H LYS A 119 -3.209 1.042 -33.376 1.00 0.00 H new ATOM 0 HA LYS A 119 -4.402 3.617 -33.994 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -5.164 0.667 -34.421 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -5.968 2.000 -35.225 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -4.190 2.391 -36.656 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -2.989 2.068 -35.421 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -2.736 -0.081 -36.144 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -4.454 -0.387 -35.981 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -4.921 0.273 -38.232 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -3.473 1.252 -38.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -3.169 -0.903 -39.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -2.118 -0.774 -38.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -3.521 -1.723 -38.017 1.00 0.00 H new ATOM 1302 N PHE A 120 -5.653 2.141 -31.486 1.00 0.00 N ATOM 1303 CA PHE A 120 -6.746 2.273 -30.472 1.00 0.00 C ATOM 1304 C PHE A 120 -6.468 3.494 -29.595 1.00 0.00 C ATOM 1305 O PHE A 120 -7.352 4.028 -28.956 1.00 0.00 O ATOM 1306 CB PHE A 120 -6.771 0.993 -29.603 1.00 0.00 C ATOM 1307 CG PHE A 120 -5.757 -0.035 -30.058 1.00 0.00 C ATOM 1308 CD1 PHE A 120 -5.795 -0.534 -31.367 1.00 0.00 C ATOM 1309 CD2 PHE A 120 -4.785 -0.495 -29.162 1.00 0.00 C ATOM 1310 CE1 PHE A 120 -4.859 -1.493 -31.776 1.00 0.00 C ATOM 1311 CE2 PHE A 120 -3.848 -1.451 -29.572 1.00 0.00 C ATOM 1312 CZ PHE A 120 -3.886 -1.952 -30.879 1.00 0.00 C ATOM 0 H PHE A 120 -4.857 1.569 -31.204 1.00 0.00 H new ATOM 0 HA PHE A 120 -7.710 2.399 -30.965 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -6.574 1.259 -28.564 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -7.768 0.555 -29.636 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -6.544 -0.180 -32.059 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -4.758 -0.112 -28.153 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -4.888 -1.879 -32.784 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -3.096 -1.802 -28.881 1.00 0.00 H new ATOM 0 HZ PHE A 120 -3.166 -2.692 -31.195 1.00 0.00 H new ATOM 1322 N GLY A 121 -5.241 3.941 -29.563 1.00 0.00 N ATOM 1323 CA GLY A 121 -4.900 5.130 -28.733 1.00 0.00 C ATOM 1324 C GLY A 121 -3.568 4.896 -28.015 1.00 0.00 C ATOM 1325 O GLY A 121 -2.788 4.044 -28.393 1.00 0.00 O ATOM 0 H GLY A 121 -4.460 3.533 -30.077 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -4.833 6.017 -29.362 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -5.689 5.315 -28.004 1.00 0.00 H new ATOM 1329 N TYR A 122 -3.308 5.642 -26.978 1.00 0.00 N ATOM 1330 CA TYR A 122 -2.038 5.465 -26.218 1.00 0.00 C ATOM 1331 C TYR A 122 -2.317 4.654 -24.952 1.00 0.00 C ATOM 1332 O TYR A 122 -3.290 4.891 -24.261 1.00 0.00 O ATOM 1333 CB TYR A 122 -1.589 6.888 -25.883 1.00 0.00 C ATOM 1334 CG TYR A 122 -1.453 7.688 -27.160 1.00 0.00 C ATOM 1335 CD1 TYR A 122 -1.204 7.034 -28.374 1.00 0.00 C ATOM 1336 CD2 TYR A 122 -1.569 9.085 -27.131 1.00 0.00 C ATOM 1337 CE1 TYR A 122 -1.068 7.772 -29.554 1.00 0.00 C ATOM 1338 CE2 TYR A 122 -1.434 9.822 -28.312 1.00 0.00 C ATOM 1339 CZ TYR A 122 -1.184 9.166 -29.525 1.00 0.00 C ATOM 1340 OH TYR A 122 -1.048 9.895 -30.688 1.00 0.00 O ATOM 0 H TYR A 122 -3.925 6.372 -26.621 1.00 0.00 H new ATOM 0 HA TYR A 122 -1.270 4.927 -26.775 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -2.312 7.362 -25.220 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -0.637 6.865 -25.353 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -1.117 5.958 -28.398 1.00 0.00 H new ATOM 0 HD2 TYR A 122 -1.763 9.592 -26.197 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -0.873 7.266 -30.488 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -1.523 10.898 -28.289 1.00 0.00 H new ATOM 0 HH TYR A 122 -1.590 10.709 -30.629 1.00 0.00 H new ATOM 1350 N HIS A 123 -1.498 3.680 -24.651 1.00 0.00 N ATOM 1351 CA HIS A 123 -1.769 2.847 -23.442 1.00 0.00 C ATOM 1352 C HIS A 123 -0.576 2.801 -22.480 1.00 0.00 C ATOM 1353 O HIS A 123 0.497 2.346 -22.822 1.00 0.00 O ATOM 1354 CB HIS A 123 -2.032 1.445 -23.990 1.00 0.00 C ATOM 1355 CG HIS A 123 -3.151 1.491 -24.990 1.00 0.00 C ATOM 1356 ND1 HIS A 123 -4.452 1.160 -24.654 1.00 0.00 N ATOM 1357 CD2 HIS A 123 -3.179 1.817 -26.324 1.00 0.00 C ATOM 1358 CE1 HIS A 123 -5.203 1.292 -25.761 1.00 0.00 C ATOM 1359 NE2 HIS A 123 -4.477 1.691 -26.808 1.00 0.00 N ATOM 0 H HIS A 123 -0.664 3.428 -25.182 1.00 0.00 H new ATOM 0 HA HIS A 123 -2.601 3.259 -22.870 1.00 0.00 H new ATOM 0 HB2 HIS A 123 -1.129 1.053 -24.458 1.00 0.00 H new ATOM 0 HB3 HIS A 123 -2.288 0.768 -23.175 1.00 0.00 H new ATOM 0 HD1 HIS A 123 -4.781 0.869 -23.734 1.00 0.00 H new ATOM 0 HD2 HIS A 123 -2.324 2.124 -26.908 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -6.265 1.099 -25.799 1.00 0.00 H new ATOM 1367 N ILE A 124 -0.780 3.218 -21.258 1.00 0.00 N ATOM 1368 CA ILE A 124 0.311 3.147 -20.241 1.00 0.00 C ATOM 1369 C ILE A 124 -0.144 2.168 -19.147 1.00 0.00 C ATOM 1370 O ILE A 124 -1.135 2.390 -18.481 1.00 0.00 O ATOM 1371 CB ILE A 124 0.477 4.585 -19.718 1.00 0.00 C ATOM 1372 CG1 ILE A 124 1.888 4.767 -19.160 1.00 0.00 C ATOM 1373 CG2 ILE A 124 -0.540 4.878 -18.617 1.00 0.00 C ATOM 1374 CD1 ILE A 124 2.305 6.232 -19.301 1.00 0.00 C ATOM 0 H ILE A 124 -1.660 3.607 -20.919 1.00 0.00 H new ATOM 0 HA ILE A 124 1.266 2.789 -20.626 1.00 0.00 H new ATOM 0 HB ILE A 124 0.311 5.276 -20.545 1.00 0.00 H new ATOM 0 HG12 ILE A 124 1.918 4.468 -18.112 1.00 0.00 H new ATOM 0 HG13 ILE A 124 2.588 4.125 -19.695 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -0.406 5.899 -18.261 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -1.549 4.761 -19.013 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -0.392 4.183 -17.791 1.00 0.00 H new ATOM 0 HD11 ILE A 124 3.311 6.364 -18.903 1.00 0.00 H new ATOM 0 HD12 ILE A 124 2.291 6.515 -20.354 1.00 0.00 H new ATOM 0 HD13 ILE A 124 1.610 6.863 -18.747 1.00 0.00 H new ATOM 1386 N ILE A 125 0.530 1.052 -19.002 1.00 0.00 N ATOM 1387 CA ILE A 125 0.073 0.038 -17.999 1.00 0.00 C ATOM 1388 C ILE A 125 0.964 -0.039 -16.759 1.00 0.00 C ATOM 1389 O ILE A 125 2.146 -0.290 -16.844 1.00 0.00 O ATOM 1390 CB ILE A 125 0.139 -1.299 -18.737 1.00 0.00 C ATOM 1391 CG1 ILE A 125 -0.449 -1.152 -20.140 1.00 0.00 C ATOM 1392 CG2 ILE A 125 -0.650 -2.354 -17.961 1.00 0.00 C ATOM 1393 CD1 ILE A 125 -0.554 -2.532 -20.791 1.00 0.00 C ATOM 0 H ILE A 125 1.367 0.801 -19.528 1.00 0.00 H new ATOM 0 HA ILE A 125 -0.920 0.302 -17.635 1.00 0.00 H new ATOM 0 HB ILE A 125 1.181 -1.609 -18.817 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -1.433 -0.686 -20.087 1.00 0.00 H new ATOM 0 HG13 ILE A 125 0.181 -0.499 -20.744 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -0.601 -3.306 -18.489 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -0.222 -2.469 -16.965 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -1.690 -2.040 -17.875 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -0.973 -2.431 -21.792 1.00 0.00 H new ATOM 0 HD12 ILE A 125 0.438 -2.980 -20.856 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -1.201 -3.170 -20.189 1.00 0.00 H new ATOM 1405 N MET A 126 0.370 0.106 -15.606 1.00 0.00 N ATOM 1406 CA MET A 126 1.125 -0.028 -14.329 1.00 0.00 C ATOM 1407 C MET A 126 0.849 -1.430 -13.779 1.00 0.00 C ATOM 1408 O MET A 126 -0.275 -1.758 -13.452 1.00 0.00 O ATOM 1409 CB MET A 126 0.543 1.045 -13.407 1.00 0.00 C ATOM 1410 CG MET A 126 1.249 0.994 -12.052 1.00 0.00 C ATOM 1411 SD MET A 126 2.736 2.024 -12.111 1.00 0.00 S ATOM 1412 CE MET A 126 3.450 1.475 -10.542 1.00 0.00 C ATOM 0 H MET A 126 -0.622 0.315 -15.494 1.00 0.00 H new ATOM 0 HA MET A 126 2.203 0.097 -14.435 1.00 0.00 H new ATOM 0 HB2 MET A 126 0.666 2.031 -13.856 1.00 0.00 H new ATOM 0 HB3 MET A 126 -0.527 0.886 -13.277 1.00 0.00 H new ATOM 0 HG2 MET A 126 0.580 1.347 -11.267 1.00 0.00 H new ATOM 0 HG3 MET A 126 1.515 -0.034 -11.806 1.00 0.00 H new ATOM 0 HE1 MET A 126 4.394 1.993 -10.371 1.00 0.00 H new ATOM 0 HE2 MET A 126 2.760 1.701 -9.729 1.00 0.00 H new ATOM 0 HE3 MET A 126 3.627 0.400 -10.579 1.00 0.00 H new ATOM 1422 N VAL A 127 1.837 -2.281 -13.713 1.00 0.00 N ATOM 1423 CA VAL A 127 1.566 -3.671 -13.226 1.00 0.00 C ATOM 1424 C VAL A 127 2.127 -3.908 -11.823 1.00 0.00 C ATOM 1425 O VAL A 127 3.041 -3.242 -11.379 1.00 0.00 O ATOM 1426 CB VAL A 127 2.254 -4.587 -14.238 1.00 0.00 C ATOM 1427 CG1 VAL A 127 3.727 -4.197 -14.367 1.00 0.00 C ATOM 1428 CG2 VAL A 127 2.151 -6.037 -13.761 1.00 0.00 C ATOM 0 H VAL A 127 2.804 -2.083 -13.969 1.00 0.00 H new ATOM 0 HA VAL A 127 0.495 -3.858 -13.151 1.00 0.00 H new ATOM 0 HB VAL A 127 1.768 -4.485 -15.208 1.00 0.00 H new ATOM 0 HG11 VAL A 127 4.215 -4.852 -15.089 1.00 0.00 H new ATOM 0 HG12 VAL A 127 3.801 -3.164 -14.706 1.00 0.00 H new ATOM 0 HG13 VAL A 127 4.216 -4.297 -13.398 1.00 0.00 H new ATOM 0 HG21 VAL A 127 2.641 -6.693 -14.481 1.00 0.00 H new ATOM 0 HG22 VAL A 127 2.637 -6.136 -12.790 1.00 0.00 H new ATOM 0 HG23 VAL A 127 1.101 -6.317 -13.671 1.00 0.00 H new ATOM 1438 N GLU A 128 1.574 -4.867 -11.125 1.00 0.00 N ATOM 1439 CA GLU A 128 2.061 -5.170 -9.746 1.00 0.00 C ATOM 1440 C GLU A 128 2.919 -6.439 -9.747 1.00 0.00 C ATOM 1441 O GLU A 128 3.810 -6.597 -8.936 1.00 0.00 O ATOM 1442 CB GLU A 128 0.794 -5.388 -8.914 1.00 0.00 C ATOM 1443 CG GLU A 128 1.161 -6.063 -7.588 1.00 0.00 C ATOM 1444 CD GLU A 128 0.353 -5.435 -6.452 1.00 0.00 C ATOM 1445 OE1 GLU A 128 -0.715 -4.913 -6.729 1.00 0.00 O ATOM 1446 OE2 GLU A 128 0.815 -5.486 -5.324 1.00 0.00 O ATOM 0 H GLU A 128 0.806 -5.453 -11.451 1.00 0.00 H new ATOM 0 HA GLU A 128 2.681 -4.367 -9.348 1.00 0.00 H new ATOM 0 HB2 GLU A 128 0.302 -4.434 -8.724 1.00 0.00 H new ATOM 0 HB3 GLU A 128 0.086 -6.007 -9.465 1.00 0.00 H new ATOM 0 HG2 GLU A 128 0.958 -7.132 -7.644 1.00 0.00 H new ATOM 0 HG3 GLU A 128 2.228 -5.951 -7.394 1.00 0.00 H new ATOM 1453 N GLY A 129 2.657 -7.348 -10.647 1.00 0.00 N ATOM 1454 CA GLY A 129 3.461 -8.603 -10.688 1.00 0.00 C ATOM 1455 C GLY A 129 2.558 -9.785 -11.049 1.00 0.00 C ATOM 1456 O GLY A 129 1.388 -9.622 -11.337 1.00 0.00 O ATOM 0 H GLY A 129 1.924 -7.277 -11.353 1.00 0.00 H new ATOM 0 HA2 GLY A 129 4.262 -8.509 -11.421 1.00 0.00 H new ATOM 0 HA3 GLY A 129 3.932 -8.776 -9.720 1.00 0.00 H new ATOM 1460 N ARG A 130 3.096 -10.976 -11.036 1.00 0.00 N ATOM 1461 CA ARG A 130 2.275 -12.173 -11.380 1.00 0.00 C ATOM 1462 C ARG A 130 2.487 -13.277 -10.341 1.00 0.00 C ATOM 1463 O ARG A 130 1.736 -13.416 -9.395 1.00 0.00 O ATOM 1464 CB ARG A 130 2.795 -12.632 -12.745 1.00 0.00 C ATOM 1465 CG ARG A 130 2.188 -13.996 -13.094 1.00 0.00 C ATOM 1466 CD ARG A 130 2.774 -14.500 -14.417 1.00 0.00 C ATOM 1467 NE ARG A 130 3.921 -15.368 -14.027 1.00 0.00 N ATOM 1468 CZ ARG A 130 4.517 -16.107 -14.925 1.00 0.00 C ATOM 1469 NH1 ARG A 130 4.261 -15.931 -16.192 1.00 0.00 N ATOM 1470 NH2 ARG A 130 5.370 -17.022 -14.555 1.00 0.00 N ATOM 0 H ARG A 130 4.069 -11.171 -10.802 1.00 0.00 H new ATOM 0 HA ARG A 130 1.209 -11.946 -11.398 1.00 0.00 H new ATOM 0 HB2 ARG A 130 2.534 -11.900 -13.510 1.00 0.00 H new ATOM 0 HB3 ARG A 130 3.883 -12.700 -12.727 1.00 0.00 H new ATOM 0 HG2 ARG A 130 2.395 -14.711 -12.298 1.00 0.00 H new ATOM 0 HG3 ARG A 130 1.104 -13.913 -13.174 1.00 0.00 H new ATOM 0 HD2 ARG A 130 2.033 -15.059 -14.989 1.00 0.00 H new ATOM 0 HD3 ARG A 130 3.102 -13.671 -15.044 1.00 0.00 H new ATOM 0 HE ARG A 130 4.241 -15.385 -13.059 1.00 0.00 H new ATOM 0 HH11 ARG A 130 3.595 -15.216 -16.483 1.00 0.00 H new ATOM 0 HH12 ARG A 130 4.727 -16.509 -16.892 1.00 0.00 H new ATOM 0 HH21 ARG A 130 5.572 -17.161 -13.565 1.00 0.00 H new ATOM 0 HH22 ARG A 130 5.835 -17.599 -15.256 1.00 0.00 H new ATOM 1484 N LYS A 131 3.504 -14.067 -10.528 1.00 0.00 N ATOM 1485 CA LYS A 131 3.792 -15.181 -9.584 1.00 0.00 C ATOM 1486 C LYS A 131 4.784 -14.730 -8.507 1.00 0.00 C ATOM 1487 O LYS A 131 4.339 -14.199 -7.502 1.00 0.00 O ATOM 1488 CB LYS A 131 4.412 -16.257 -10.470 1.00 0.00 C ATOM 1489 CG LYS A 131 4.502 -17.577 -9.707 1.00 0.00 C ATOM 1490 CD LYS A 131 4.977 -18.671 -10.663 1.00 0.00 C ATOM 1491 CE LYS A 131 5.301 -19.940 -9.868 1.00 0.00 C ATOM 1492 NZ LYS A 131 6.315 -19.517 -8.860 1.00 0.00 N ATOM 1493 OXT LYS A 131 5.972 -14.927 -8.705 1.00 0.00 O ATOM 0 H LYS A 131 4.158 -13.987 -11.307 1.00 0.00 H new ATOM 0 HA LYS A 131 2.904 -15.529 -9.056 1.00 0.00 H new ATOM 0 HB2 LYS A 131 3.812 -16.388 -11.370 1.00 0.00 H new ATOM 0 HB3 LYS A 131 5.406 -15.946 -10.792 1.00 0.00 H new ATOM 0 HG2 LYS A 131 5.194 -17.482 -8.870 1.00 0.00 H new ATOM 0 HG3 LYS A 131 3.530 -17.838 -9.289 1.00 0.00 H new ATOM 0 HD2 LYS A 131 4.206 -18.881 -11.404 1.00 0.00 H new ATOM 0 HD3 LYS A 131 5.860 -18.335 -11.207 1.00 0.00 H new ATOM 0 HE2 LYS A 131 4.410 -20.342 -9.386 1.00 0.00 H new ATOM 0 HE3 LYS A 131 5.693 -20.723 -10.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 6.982 -20.297 -8.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 6.834 -18.689 -9.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 5.837 -19.270 -7.970 1.00 0.00 H new