USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 623 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 46 TYR OH : rot 30:sc= -0.234 USER MOD Set 1.2: A 50 GLN : amide:sc= -0.0675 X(o=-0.3,f=-0.23) USER MOD Single : A 14 ASN : amide:sc= -0.0125 X(o=-0.013,f=-0.21) USER MOD Single : A 16 HIS : no HD1:sc= -0.323 X(o=-0.32,f=-0.013) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -0.183 K(o=-0.18,f=-6.3!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.0692 K(o=-0.069,f=-1.1) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -131:sc= -0.078 (180deg=-2.19!) USER MOD Single : A 36 HIS : no HD1:sc= -0.297 X(o=-0.3,f=-0.076) USER MOD Single : A 37 THR OG1 : rot 180:sc=-0.00627 USER MOD Single : A 40 SER OG : rot 180:sc= -0.91 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 155:sc= -2.13 (180deg=-4.62!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 88:sc= 0.227 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl 149:sc= -0.173 (180deg=-0.92) USER MOD Single : A 56 GLN : amide:sc= -0.0493 X(o=-0.049,f=0) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.404 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0.074) USER MOD Single : A 77 MET CE :methyl -144:sc= -0.0647 (180deg=-0.0892) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -1.01 K(o=-1,f=-4.3!) USER MOD Single : A 88 GLN : amide:sc= -0.475 K(o=-0.48,f=-2.1) USER MOD Single : A 89 GLN : amide:sc= -0.605 X(o=-0.6,f=-0.54) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 14 -20.189 -1.856 5.446 1.00 0.00 N ATOM 2 CA ASN A 14 -19.638 -3.236 5.311 1.00 0.00 C ATOM 3 C ASN A 14 -19.053 -3.471 3.914 1.00 0.00 C ATOM 4 O ASN A 14 -19.259 -4.528 3.314 1.00 0.00 O ATOM 5 CB ASN A 14 -20.761 -4.242 5.600 1.00 0.00 C ATOM 6 CG ASN A 14 -20.868 -4.579 7.076 1.00 0.00 C ATOM 7 OD1 ASN A 14 -19.876 -4.926 7.717 1.00 0.00 O ATOM 8 ND2 ASN A 14 -22.074 -4.477 7.626 1.00 0.00 N ATOM 0 HA ASN A 14 -18.826 -3.367 6.026 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -21.710 -3.833 5.253 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -20.582 -5.156 5.033 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -22.203 -4.690 8.615 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -22.870 -4.186 7.059 1.00 0.00 H new ATOM 17 N ASP A 15 -18.318 -2.480 3.404 1.00 0.00 N ATOM 18 CA ASP A 15 -17.703 -2.582 2.084 1.00 0.00 C ATOM 19 C ASP A 15 -16.258 -2.090 2.124 1.00 0.00 C ATOM 20 O ASP A 15 -16.004 -0.889 2.240 1.00 0.00 O ATOM 21 CB ASP A 15 -18.508 -1.778 1.055 1.00 0.00 C ATOM 22 CG ASP A 15 -18.810 -2.577 -0.198 1.00 0.00 C ATOM 23 OD1 ASP A 15 -19.569 -3.565 -0.104 1.00 0.00 O ATOM 24 OD2 ASP A 15 -18.288 -2.215 -1.273 1.00 0.00 O ATOM 0 H ASP A 15 -18.136 -1.600 3.886 1.00 0.00 H new ATOM 0 HA ASP A 15 -17.703 -3.631 1.787 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -19.444 -1.449 1.507 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -17.952 -0.880 0.785 1.00 0.00 H new ATOM 29 N HIS A 16 -15.317 -3.029 2.035 1.00 0.00 N ATOM 30 CA HIS A 16 -13.893 -2.700 2.066 1.00 0.00 C ATOM 31 C HIS A 16 -13.127 -3.475 0.994 1.00 0.00 C ATOM 32 O HIS A 16 -13.591 -4.511 0.515 1.00 0.00 O ATOM 33 CB HIS A 16 -13.308 -3.004 3.449 1.00 0.00 C ATOM 34 CG HIS A 16 -13.600 -1.949 4.472 1.00 0.00 C ATOM 35 ND1 HIS A 16 -14.193 -2.221 5.687 1.00 0.00 N ATOM 36 CD2 HIS A 16 -13.372 -0.613 4.459 1.00 0.00 C ATOM 37 CE1 HIS A 16 -14.316 -1.100 6.376 1.00 0.00 C ATOM 38 NE2 HIS A 16 -13.826 -0.110 5.654 1.00 0.00 N ATOM 0 H HIS A 16 -15.516 -4.025 1.941 1.00 0.00 H new ATOM 0 HA HIS A 16 -13.789 -1.635 1.860 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -13.704 -3.957 3.800 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -12.228 -3.121 3.359 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -12.918 -0.049 3.658 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -14.745 -1.009 7.363 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -13.790 0.869 5.937 1.00 0.00 H new ATOM 47 N ILE A 17 -11.951 -2.965 0.626 1.00 0.00 N ATOM 48 CA ILE A 17 -11.119 -3.610 -0.388 1.00 0.00 C ATOM 49 C ILE A 17 -10.047 -4.492 0.253 1.00 0.00 C ATOM 50 O ILE A 17 -9.260 -4.030 1.085 1.00 0.00 O ATOM 51 CB ILE A 17 -10.447 -2.573 -1.323 1.00 0.00 C ATOM 52 CG1 ILE A 17 -9.460 -1.686 -0.551 1.00 0.00 C ATOM 53 CG2 ILE A 17 -11.504 -1.720 -2.010 1.00 0.00 C ATOM 54 CD1 ILE A 17 -8.880 -0.556 -1.378 1.00 0.00 C ATOM 0 H ILE A 17 -11.555 -2.109 1.014 1.00 0.00 H new ATOM 0 HA ILE A 17 -11.782 -4.236 -0.985 1.00 0.00 H new ATOM 0 HB ILE A 17 -9.885 -3.117 -2.082 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -9.966 -1.266 0.318 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -8.645 -2.305 -0.176 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -11.018 -0.996 -2.664 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -12.160 -2.359 -2.601 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -12.092 -1.193 -1.258 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -8.192 0.027 -0.766 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -8.344 -0.969 -2.233 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -9.686 0.087 -1.731 1.00 0.00 H new ATOM 66 N ASN A 18 -10.026 -5.766 -0.140 1.00 0.00 N ATOM 67 CA ASN A 18 -9.056 -6.722 0.388 1.00 0.00 C ATOM 68 C ASN A 18 -7.785 -6.717 -0.460 1.00 0.00 C ATOM 69 O ASN A 18 -7.680 -7.451 -1.444 1.00 0.00 O ATOM 70 CB ASN A 18 -9.660 -8.130 0.426 1.00 0.00 C ATOM 71 CG ASN A 18 -10.909 -8.201 1.283 1.00 0.00 C ATOM 72 OD1 ASN A 18 -12.026 -8.066 0.783 1.00 0.00 O ATOM 73 ND2 ASN A 18 -10.729 -8.408 2.583 1.00 0.00 N ATOM 0 H ASN A 18 -10.672 -6.159 -0.824 1.00 0.00 H new ATOM 0 HA ASN A 18 -8.798 -6.425 1.404 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -9.901 -8.446 -0.589 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -8.918 -8.830 0.811 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -11.534 -8.460 3.207 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -9.786 -8.515 2.957 1.00 0.00 H new ATOM 80 N LEU A 19 -6.825 -5.876 -0.077 1.00 0.00 N ATOM 81 CA LEU A 19 -5.564 -5.765 -0.806 1.00 0.00 C ATOM 82 C LEU A 19 -4.414 -6.397 -0.024 1.00 0.00 C ATOM 83 O LEU A 19 -4.155 -6.031 1.125 1.00 0.00 O ATOM 84 CB LEU A 19 -5.250 -4.295 -1.098 1.00 0.00 C ATOM 85 CG LEU A 19 -5.541 -3.837 -2.530 1.00 0.00 C ATOM 86 CD1 LEU A 19 -7.024 -3.538 -2.713 1.00 0.00 C ATOM 87 CD2 LEU A 19 -4.701 -2.616 -2.875 1.00 0.00 C ATOM 0 H LEU A 19 -6.897 -5.262 0.734 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.673 -6.304 -1.747 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.825 -3.674 -0.411 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.196 -4.116 -0.883 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.274 -4.646 -3.210 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.206 -3.215 -3.738 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.605 -4.437 -2.508 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.324 -2.748 -2.024 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.918 -2.302 -3.896 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.939 -1.805 -2.187 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.643 -2.866 -2.790 1.00 0.00 H new ATOM 99 N LYS A 20 -3.722 -7.345 -0.656 1.00 0.00 N ATOM 100 CA LYS A 20 -2.594 -8.025 -0.023 1.00 0.00 C ATOM 101 C LYS A 20 -1.288 -7.292 -0.318 1.00 0.00 C ATOM 102 O LYS A 20 -0.868 -7.195 -1.474 1.00 0.00 O ATOM 103 CB LYS A 20 -2.503 -9.475 -0.508 1.00 0.00 C ATOM 104 CG LYS A 20 -3.297 -10.456 0.342 1.00 0.00 C ATOM 105 CD LYS A 20 -4.074 -11.440 -0.520 1.00 0.00 C ATOM 106 CE LYS A 20 -4.782 -12.489 0.327 1.00 0.00 C ATOM 107 NZ LYS A 20 -4.782 -13.830 -0.324 1.00 0.00 N ATOM 0 H LYS A 20 -3.923 -7.659 -1.605 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.758 -8.024 1.055 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.860 -9.528 -1.537 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.457 -9.780 -0.518 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -2.619 -11.002 0.998 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.988 -9.908 0.983 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.807 -10.900 -1.119 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.394 -11.932 -1.216 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.294 -12.559 1.299 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -5.810 -12.175 0.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -5.274 -14.513 0.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -5.270 -13.771 -1.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.802 -14.143 -0.474 1.00 0.00 H new ATOM 121 N VAL A 21 -0.652 -6.774 0.733 1.00 0.00 N ATOM 122 CA VAL A 21 0.606 -6.044 0.589 1.00 0.00 C ATOM 123 C VAL A 21 1.799 -6.924 0.963 1.00 0.00 C ATOM 124 O VAL A 21 1.974 -7.288 2.129 1.00 0.00 O ATOM 125 CB VAL A 21 0.625 -4.769 1.459 1.00 0.00 C ATOM 126 CG1 VAL A 21 1.806 -3.884 1.090 1.00 0.00 C ATOM 127 CG2 VAL A 21 -0.682 -4.000 1.323 1.00 0.00 C ATOM 0 H VAL A 21 -0.988 -6.847 1.693 1.00 0.00 H new ATOM 0 HA VAL A 21 0.685 -5.756 -0.459 1.00 0.00 H new ATOM 0 HB VAL A 21 0.735 -5.072 2.500 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.801 -2.991 1.715 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.735 -4.432 1.248 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.730 -3.594 0.042 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.645 -3.106 1.945 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.828 -3.712 0.282 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.511 -4.631 1.644 1.00 0.00 H new ATOM 137 N ALA A 22 2.617 -7.258 -0.035 1.00 0.00 N ATOM 138 CA ALA A 22 3.796 -8.091 0.181 1.00 0.00 C ATOM 139 C ALA A 22 5.063 -7.242 0.270 1.00 0.00 C ATOM 140 O ALA A 22 5.372 -6.475 -0.644 1.00 0.00 O ATOM 141 CB ALA A 22 3.925 -9.118 -0.935 1.00 0.00 C ATOM 0 H ALA A 22 2.483 -6.963 -1.002 1.00 0.00 H new ATOM 0 HA ALA A 22 3.673 -8.612 1.130 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.808 -9.733 -0.763 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.038 -9.752 -0.950 1.00 0.00 H new ATOM 0 HB3 ALA A 22 4.021 -8.605 -1.892 1.00 0.00 H new ATOM 147 N GLY A 23 5.791 -7.391 1.377 1.00 0.00 N ATOM 148 CA GLY A 23 7.019 -6.641 1.578 1.00 0.00 C ATOM 149 C GLY A 23 8.202 -7.259 0.856 1.00 0.00 C ATOM 150 O GLY A 23 8.355 -8.482 0.840 1.00 0.00 O ATOM 0 H GLY A 23 5.549 -8.022 2.141 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.878 -5.618 1.228 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.237 -6.586 2.645 1.00 0.00 H new ATOM 154 N GLN A 24 9.039 -6.411 0.257 1.00 0.00 N ATOM 155 CA GLN A 24 10.220 -6.876 -0.477 1.00 0.00 C ATOM 156 C GLN A 24 11.168 -7.692 0.411 1.00 0.00 C ATOM 157 O GLN A 24 11.855 -8.591 -0.078 1.00 0.00 O ATOM 158 CB GLN A 24 10.973 -5.691 -1.094 1.00 0.00 C ATOM 159 CG GLN A 24 11.535 -4.711 -0.072 1.00 0.00 C ATOM 160 CD GLN A 24 12.658 -3.861 -0.637 1.00 0.00 C ATOM 161 OE1 GLN A 24 12.455 -2.702 -0.994 1.00 0.00 O ATOM 162 NE2 GLN A 24 13.852 -4.434 -0.722 1.00 0.00 N ATOM 0 H GLN A 24 8.922 -5.398 0.265 1.00 0.00 H new ATOM 0 HA GLN A 24 9.864 -7.531 -1.272 1.00 0.00 H new ATOM 0 HB2 GLN A 24 11.792 -6.073 -1.704 1.00 0.00 H new ATOM 0 HB3 GLN A 24 10.300 -5.155 -1.763 1.00 0.00 H new ATOM 0 HG2 GLN A 24 10.735 -4.061 0.281 1.00 0.00 H new ATOM 0 HG3 GLN A 24 11.902 -5.264 0.793 1.00 0.00 H new ATOM 0 HE21 GLN A 24 13.978 -5.398 -0.415 1.00 0.00 H new ATOM 0 HE22 GLN A 24 14.644 -3.910 -1.095 1.00 0.00 H new ATOM 171 N ASP A 25 11.205 -7.378 1.710 1.00 0.00 N ATOM 172 CA ASP A 25 12.074 -8.091 2.651 1.00 0.00 C ATOM 173 C ASP A 25 11.772 -9.593 2.668 1.00 0.00 C ATOM 174 O ASP A 25 12.669 -10.410 2.883 1.00 0.00 O ATOM 175 CB ASP A 25 11.917 -7.516 4.063 1.00 0.00 C ATOM 176 CG ASP A 25 13.057 -6.588 4.436 1.00 0.00 C ATOM 177 OD1 ASP A 25 14.152 -7.095 4.760 1.00 0.00 O ATOM 178 OD2 ASP A 25 12.856 -5.356 4.401 1.00 0.00 O ATOM 0 H ASP A 25 10.645 -6.637 2.132 1.00 0.00 H new ATOM 0 HA ASP A 25 13.102 -7.954 2.316 1.00 0.00 H new ATOM 0 HB2 ASP A 25 10.974 -6.974 4.129 1.00 0.00 H new ATOM 0 HB3 ASP A 25 11.866 -8.333 4.782 1.00 0.00 H new ATOM 183 N GLY A 26 10.505 -9.945 2.446 1.00 0.00 N ATOM 184 CA GLY A 26 10.102 -11.343 2.443 1.00 0.00 C ATOM 185 C GLY A 26 8.964 -11.621 3.410 1.00 0.00 C ATOM 186 O GLY A 26 9.001 -12.602 4.155 1.00 0.00 O ATOM 0 H GLY A 26 9.749 -9.284 2.268 1.00 0.00 H new ATOM 0 HA2 GLY A 26 9.797 -11.628 1.436 1.00 0.00 H new ATOM 0 HA3 GLY A 26 10.958 -11.965 2.705 1.00 0.00 H new ATOM 190 N SER A 27 7.953 -10.752 3.398 1.00 0.00 N ATOM 191 CA SER A 27 6.795 -10.897 4.277 1.00 0.00 C ATOM 192 C SER A 27 5.505 -10.534 3.543 1.00 0.00 C ATOM 193 O SER A 27 5.537 -9.851 2.518 1.00 0.00 O ATOM 194 CB SER A 27 6.954 -10.010 5.515 1.00 0.00 C ATOM 195 OG SER A 27 7.971 -10.502 6.371 1.00 0.00 O ATOM 0 H SER A 27 7.914 -9.937 2.786 1.00 0.00 H new ATOM 0 HA SER A 27 6.736 -11.940 4.588 1.00 0.00 H new ATOM 0 HB2 SER A 27 7.194 -8.992 5.208 1.00 0.00 H new ATOM 0 HB3 SER A 27 6.009 -9.965 6.057 1.00 0.00 H new ATOM 0 HG SER A 27 8.053 -9.916 7.152 1.00 0.00 H new ATOM 201 N VAL A 28 4.369 -10.991 4.075 1.00 0.00 N ATOM 202 CA VAL A 28 3.068 -10.707 3.468 1.00 0.00 C ATOM 203 C VAL A 28 2.011 -10.427 4.535 1.00 0.00 C ATOM 204 O VAL A 28 1.656 -11.310 5.320 1.00 0.00 O ATOM 205 CB VAL A 28 2.589 -11.867 2.565 1.00 0.00 C ATOM 206 CG1 VAL A 28 3.278 -11.805 1.209 1.00 0.00 C ATOM 207 CG2 VAL A 28 2.832 -13.215 3.231 1.00 0.00 C ATOM 0 H VAL A 28 4.324 -11.557 4.922 1.00 0.00 H new ATOM 0 HA VAL A 28 3.200 -9.819 2.850 1.00 0.00 H new ATOM 0 HB VAL A 28 1.515 -11.757 2.413 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.929 -12.629 0.586 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.042 -10.858 0.724 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.357 -11.884 1.345 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.486 -14.013 2.574 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.898 -13.339 3.423 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.286 -13.259 4.174 1.00 0.00 H new ATOM 217 N VAL A 29 1.516 -9.188 4.562 1.00 0.00 N ATOM 218 CA VAL A 29 0.503 -8.782 5.535 1.00 0.00 C ATOM 219 C VAL A 29 -0.826 -8.459 4.850 1.00 0.00 C ATOM 220 O VAL A 29 -0.852 -7.855 3.776 1.00 0.00 O ATOM 221 CB VAL A 29 0.963 -7.549 6.347 1.00 0.00 C ATOM 222 CG1 VAL A 29 -0.023 -7.245 7.467 1.00 0.00 C ATOM 223 CG2 VAL A 29 2.363 -7.758 6.908 1.00 0.00 C ATOM 0 H VAL A 29 1.801 -8.449 3.920 1.00 0.00 H new ATOM 0 HA VAL A 29 0.363 -9.624 6.213 1.00 0.00 H new ATOM 0 HB VAL A 29 0.993 -6.693 5.673 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.319 -6.374 8.026 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.005 -7.040 7.041 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.089 -8.103 8.136 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.663 -6.877 7.475 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.366 -8.629 7.563 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.063 -7.918 6.088 1.00 0.00 H new ATOM 233 N GLN A 30 -1.928 -8.861 5.488 1.00 0.00 N ATOM 234 CA GLN A 30 -3.265 -8.613 4.952 1.00 0.00 C ATOM 235 C GLN A 30 -3.815 -7.277 5.454 1.00 0.00 C ATOM 236 O GLN A 30 -4.083 -7.116 6.647 1.00 0.00 O ATOM 237 CB GLN A 30 -4.216 -9.749 5.348 1.00 0.00 C ATOM 238 CG GLN A 30 -5.496 -9.792 4.524 1.00 0.00 C ATOM 239 CD GLN A 30 -6.615 -10.556 5.211 1.00 0.00 C ATOM 240 OE1 GLN A 30 -6.748 -10.522 6.435 1.00 0.00 O ATOM 241 NE2 GLN A 30 -7.430 -11.251 4.424 1.00 0.00 N ATOM 0 H GLN A 30 -1.919 -9.360 6.377 1.00 0.00 H new ATOM 0 HA GLN A 30 -3.191 -8.571 3.865 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -3.695 -10.700 5.243 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -4.476 -9.643 6.401 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -5.828 -8.773 4.324 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -5.286 -10.254 3.559 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -7.285 -11.253 3.414 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -8.200 -11.783 4.830 1.00 0.00 H new ATOM 250 N PHE A 31 -3.987 -6.326 4.537 1.00 0.00 N ATOM 251 CA PHE A 31 -4.511 -5.005 4.884 1.00 0.00 C ATOM 252 C PHE A 31 -5.777 -4.690 4.084 1.00 0.00 C ATOM 253 O PHE A 31 -6.037 -5.305 3.048 1.00 0.00 O ATOM 254 CB PHE A 31 -3.446 -3.931 4.634 1.00 0.00 C ATOM 255 CG PHE A 31 -2.740 -3.485 5.886 1.00 0.00 C ATOM 256 CD1 PHE A 31 -1.646 -4.187 6.369 1.00 0.00 C ATOM 257 CD2 PHE A 31 -3.170 -2.364 6.580 1.00 0.00 C ATOM 258 CE1 PHE A 31 -0.995 -3.779 7.519 1.00 0.00 C ATOM 259 CE2 PHE A 31 -2.522 -1.952 7.730 1.00 0.00 C ATOM 260 CZ PHE A 31 -1.433 -2.660 8.199 1.00 0.00 C ATOM 0 H PHE A 31 -3.771 -6.445 3.547 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.770 -5.009 5.943 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -2.710 -4.317 3.929 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.916 -3.067 4.163 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.298 -5.063 5.841 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -4.021 -1.806 6.218 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -0.145 -4.335 7.885 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -2.867 -1.077 8.261 1.00 0.00 H new ATOM 0 HZ PHE A 31 -0.925 -2.339 9.096 1.00 0.00 H new ATOM 270 N LYS A 32 -6.565 -3.730 4.574 1.00 0.00 N ATOM 271 CA LYS A 32 -7.805 -3.342 3.902 1.00 0.00 C ATOM 272 C LYS A 32 -8.187 -1.897 4.227 1.00 0.00 C ATOM 273 O LYS A 32 -7.899 -1.400 5.320 1.00 0.00 O ATOM 274 CB LYS A 32 -8.942 -4.287 4.300 1.00 0.00 C ATOM 275 CG LYS A 32 -9.155 -4.393 5.803 1.00 0.00 C ATOM 276 CD LYS A 32 -10.519 -4.976 6.133 1.00 0.00 C ATOM 277 CE LYS A 32 -11.058 -4.432 7.449 1.00 0.00 C ATOM 278 NZ LYS A 32 -10.740 -5.326 8.598 1.00 0.00 N ATOM 0 H LYS A 32 -6.367 -3.210 5.429 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.638 -3.414 2.827 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -9.866 -3.944 3.835 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -8.733 -5.280 3.901 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -8.376 -5.019 6.239 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.061 -3.406 6.255 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.218 -4.745 5.329 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -10.447 -6.062 6.190 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.636 -3.444 7.632 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -12.138 -4.309 7.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -11.126 -4.917 9.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.164 -6.262 8.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -9.708 -5.424 8.687 1.00 0.00 H new ATOM 292 N ILE A 33 -8.835 -1.232 3.269 1.00 0.00 N ATOM 293 CA ILE A 33 -9.262 0.160 3.440 1.00 0.00 C ATOM 294 C ILE A 33 -10.570 0.436 2.696 1.00 0.00 C ATOM 295 O ILE A 33 -11.109 -0.443 2.019 1.00 0.00 O ATOM 296 CB ILE A 33 -8.184 1.149 2.936 1.00 0.00 C ATOM 297 CG1 ILE A 33 -7.773 0.811 1.498 1.00 0.00 C ATOM 298 CG2 ILE A 33 -6.973 1.136 3.858 1.00 0.00 C ATOM 299 CD1 ILE A 33 -6.776 1.783 0.903 1.00 0.00 C ATOM 0 H ILE A 33 -9.077 -1.635 2.364 1.00 0.00 H new ATOM 0 HA ILE A 33 -9.415 0.310 4.509 1.00 0.00 H new ATOM 0 HB ILE A 33 -8.608 2.153 2.943 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -7.345 -0.191 1.478 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -8.664 0.790 0.871 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -6.226 1.838 3.487 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -7.278 1.428 4.863 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -6.547 0.133 3.885 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -6.534 1.478 -0.115 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -7.207 2.784 0.889 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -5.868 1.788 1.506 1.00 0.00 H new ATOM 311 N LYS A 34 -11.071 1.667 2.819 1.00 0.00 N ATOM 312 CA LYS A 34 -12.307 2.064 2.147 1.00 0.00 C ATOM 313 C LYS A 34 -12.008 2.571 0.737 1.00 0.00 C ATOM 314 O LYS A 34 -10.946 3.146 0.490 1.00 0.00 O ATOM 315 CB LYS A 34 -13.045 3.144 2.955 1.00 0.00 C ATOM 316 CG LYS A 34 -12.312 4.478 3.038 1.00 0.00 C ATOM 317 CD LYS A 34 -11.782 4.741 4.440 1.00 0.00 C ATOM 318 CE LYS A 34 -11.949 6.200 4.841 1.00 0.00 C ATOM 319 NZ LYS A 34 -10.840 6.674 5.717 1.00 0.00 N ATOM 0 H LYS A 34 -10.640 2.404 3.377 1.00 0.00 H new ATOM 0 HA LYS A 34 -12.952 1.188 2.075 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -14.025 3.309 2.508 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -13.214 2.773 3.966 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.484 4.483 2.329 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -12.987 5.283 2.747 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -12.307 4.105 5.153 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -10.728 4.469 4.487 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.991 6.819 3.945 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -12.899 6.326 5.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -11.236 7.158 6.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -10.272 5.860 6.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -10.236 7.334 5.186 1.00 0.00 H new ATOM 333 N ARG A 35 -12.947 2.357 -0.185 1.00 0.00 N ATOM 334 CA ARG A 35 -12.776 2.795 -1.571 1.00 0.00 C ATOM 335 C ARG A 35 -13.152 4.271 -1.732 1.00 0.00 C ATOM 336 O ARG A 35 -13.999 4.624 -2.557 1.00 0.00 O ATOM 337 CB ARG A 35 -13.618 1.923 -2.508 1.00 0.00 C ATOM 338 CG ARG A 35 -13.124 1.924 -3.948 1.00 0.00 C ATOM 339 CD ARG A 35 -14.149 2.532 -4.896 1.00 0.00 C ATOM 340 NE ARG A 35 -15.401 1.776 -4.917 1.00 0.00 N ATOM 341 CZ ARG A 35 -16.509 2.177 -5.544 1.00 0.00 C ATOM 342 NH1 ARG A 35 -16.520 3.313 -6.234 1.00 0.00 N ATOM 343 NH2 ARG A 35 -17.607 1.431 -5.492 1.00 0.00 N ATOM 0 H ARG A 35 -13.831 1.884 0.002 1.00 0.00 H new ATOM 0 HA ARG A 35 -11.725 2.685 -1.837 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -13.620 0.899 -2.134 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -14.650 2.272 -2.486 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -12.192 2.485 -4.012 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -12.903 0.902 -4.258 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -14.353 3.560 -4.597 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -13.733 2.570 -5.903 1.00 0.00 H new ATOM 0 HE ARG A 35 -15.429 0.885 -4.421 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -15.678 3.886 -6.287 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -17.371 3.612 -6.710 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -17.603 0.553 -4.973 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -18.454 1.736 -5.971 1.00 0.00 H new ATOM 357 N HIS A 36 -12.510 5.129 -0.937 1.00 0.00 N ATOM 358 CA HIS A 36 -12.762 6.569 -0.979 1.00 0.00 C ATOM 359 C HIS A 36 -11.561 7.353 -0.430 1.00 0.00 C ATOM 360 O HIS A 36 -11.727 8.427 0.152 1.00 0.00 O ATOM 361 CB HIS A 36 -14.022 6.909 -0.167 1.00 0.00 C ATOM 362 CG HIS A 36 -15.297 6.842 -0.955 1.00 0.00 C ATOM 363 ND1 HIS A 36 -16.489 6.396 -0.420 1.00 0.00 N ATOM 364 CD2 HIS A 36 -15.569 7.175 -2.240 1.00 0.00 C ATOM 365 CE1 HIS A 36 -17.434 6.456 -1.341 1.00 0.00 C ATOM 366 NE2 HIS A 36 -16.902 6.925 -2.455 1.00 0.00 N ATOM 0 H HIS A 36 -11.808 4.848 -0.253 1.00 0.00 H new ATOM 0 HA HIS A 36 -12.915 6.857 -2.019 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -14.093 6.223 0.677 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -13.915 7.912 0.246 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -14.867 7.565 -2.962 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -18.467 6.170 -1.206 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -17.400 7.077 -3.332 1.00 0.00 H new ATOM 375 N THR A 37 -10.353 6.809 -0.614 1.00 0.00 N ATOM 376 CA THR A 37 -9.134 7.458 -0.130 1.00 0.00 C ATOM 377 C THR A 37 -7.923 7.074 -0.983 1.00 0.00 C ATOM 378 O THR A 37 -7.874 5.979 -1.547 1.00 0.00 O ATOM 379 CB THR A 37 -8.868 7.084 1.337 1.00 0.00 C ATOM 380 OG1 THR A 37 -9.422 5.816 1.653 1.00 0.00 O ATOM 381 CG2 THR A 37 -9.427 8.091 2.322 1.00 0.00 C ATOM 0 H THR A 37 -10.196 5.923 -1.094 1.00 0.00 H new ATOM 0 HA THR A 37 -9.285 8.535 -0.206 1.00 0.00 H new ATOM 0 HB THR A 37 -7.782 7.067 1.432 1.00 0.00 H new ATOM 0 HG1 THR A 37 -9.237 5.603 2.591 1.00 0.00 H new ATOM 0 HG21 THR A 37 -9.205 7.767 3.339 1.00 0.00 H new ATOM 0 HG22 THR A 37 -8.972 9.065 2.144 1.00 0.00 H new ATOM 0 HG23 THR A 37 -10.507 8.166 2.193 1.00 0.00 H new ATOM 389 N PRO A 38 -6.923 7.978 -1.080 1.00 0.00 N ATOM 390 CA PRO A 38 -5.698 7.741 -1.863 1.00 0.00 C ATOM 391 C PRO A 38 -4.787 6.681 -1.234 1.00 0.00 C ATOM 392 O PRO A 38 -5.049 6.200 -0.129 1.00 0.00 O ATOM 393 CB PRO A 38 -5.009 9.111 -1.860 1.00 0.00 C ATOM 394 CG PRO A 38 -5.500 9.780 -0.625 1.00 0.00 C ATOM 395 CD PRO A 38 -6.913 9.306 -0.433 1.00 0.00 C ATOM 0 HA PRO A 38 -5.922 7.358 -2.859 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -3.924 9.008 -1.850 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -5.266 9.685 -2.750 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.881 9.519 0.233 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.462 10.865 -0.727 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -7.174 9.240 0.623 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -7.630 9.984 -0.897 1.00 0.00 H new ATOM 403 N LEU A 39 -3.714 6.325 -1.949 1.00 0.00 N ATOM 404 CA LEU A 39 -2.757 5.322 -1.467 1.00 0.00 C ATOM 405 C LEU A 39 -2.092 5.757 -0.159 1.00 0.00 C ATOM 406 O LEU A 39 -1.635 4.914 0.615 1.00 0.00 O ATOM 407 CB LEU A 39 -1.683 5.045 -2.526 1.00 0.00 C ATOM 408 CG LEU A 39 -1.969 3.856 -3.446 1.00 0.00 C ATOM 409 CD1 LEU A 39 -0.812 3.637 -4.409 1.00 0.00 C ATOM 410 CD2 LEU A 39 -2.233 2.598 -2.627 1.00 0.00 C ATOM 0 H LEU A 39 -3.486 6.716 -2.863 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.318 4.407 -1.276 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.561 5.938 -3.139 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.733 4.873 -2.021 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.863 4.078 -4.029 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.033 2.788 -5.056 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.672 4.530 -5.018 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.098 3.436 -3.844 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.434 1.763 -3.298 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.359 2.371 -2.017 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.095 2.760 -1.980 1.00 0.00 H new ATOM 422 N SER A 40 -2.037 7.069 0.085 1.00 0.00 N ATOM 423 CA SER A 40 -1.427 7.596 1.307 1.00 0.00 C ATOM 424 C SER A 40 -2.063 6.966 2.545 1.00 0.00 C ATOM 425 O SER A 40 -1.378 6.695 3.530 1.00 0.00 O ATOM 426 CB SER A 40 -1.555 9.122 1.374 1.00 0.00 C ATOM 427 OG SER A 40 -2.688 9.580 0.658 1.00 0.00 O ATOM 0 H SER A 40 -2.406 7.782 -0.544 1.00 0.00 H new ATOM 0 HA SER A 40 -0.368 7.338 1.285 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.630 9.436 2.415 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.655 9.582 0.966 1.00 0.00 H new ATOM 0 HG SER A 40 -2.742 10.556 0.721 1.00 0.00 H new ATOM 433 N LYS A 41 -3.373 6.721 2.481 1.00 0.00 N ATOM 434 CA LYS A 41 -4.093 6.107 3.590 1.00 0.00 C ATOM 435 C LYS A 41 -3.577 4.690 3.846 1.00 0.00 C ATOM 436 O LYS A 41 -3.311 4.317 4.990 1.00 0.00 O ATOM 437 CB LYS A 41 -5.594 6.083 3.293 1.00 0.00 C ATOM 438 CG LYS A 41 -6.426 5.469 4.406 1.00 0.00 C ATOM 439 CD LYS A 41 -7.386 6.478 5.018 1.00 0.00 C ATOM 440 CE LYS A 41 -7.139 6.653 6.510 1.00 0.00 C ATOM 441 NZ LYS A 41 -7.300 8.070 6.942 1.00 0.00 N ATOM 0 H LYS A 41 -3.954 6.940 1.672 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.922 6.701 4.488 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.937 7.102 3.115 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.765 5.524 2.373 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.990 4.623 4.013 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -5.766 5.080 5.181 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.274 7.439 4.515 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -8.413 6.150 4.855 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.832 6.023 7.068 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -6.132 6.312 6.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -7.123 8.144 7.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -6.622 8.669 6.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -8.268 8.388 6.735 1.00 0.00 H new ATOM 455 N LEU A 42 -3.428 3.908 2.774 1.00 0.00 N ATOM 456 CA LEU A 42 -2.935 2.536 2.886 1.00 0.00 C ATOM 457 C LEU A 42 -1.478 2.514 3.350 1.00 0.00 C ATOM 458 O LEU A 42 -1.138 1.819 4.308 1.00 0.00 O ATOM 459 CB LEU A 42 -3.061 1.804 1.546 1.00 0.00 C ATOM 460 CG LEU A 42 -2.902 0.280 1.623 1.00 0.00 C ATOM 461 CD1 LEU A 42 -3.962 -0.416 0.780 1.00 0.00 C ATOM 462 CD2 LEU A 42 -1.503 -0.137 1.184 1.00 0.00 C ATOM 0 H LEU A 42 -3.642 4.202 1.821 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.547 2.024 3.629 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.036 2.031 1.115 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.310 2.199 0.861 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.039 -0.026 2.660 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.831 -1.496 0.849 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.953 -0.147 1.146 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.863 -0.104 -0.260 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.410 -1.221 1.246 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.333 0.184 0.156 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.763 0.328 1.836 1.00 0.00 H new ATOM 474 N MET A 43 -0.622 3.275 2.663 1.00 0.00 N ATOM 475 CA MET A 43 0.801 3.335 3.004 1.00 0.00 C ATOM 476 C MET A 43 1.018 3.846 4.429 1.00 0.00 C ATOM 477 O MET A 43 1.928 3.389 5.119 1.00 0.00 O ATOM 478 CB MET A 43 1.564 4.218 2.009 1.00 0.00 C ATOM 479 CG MET A 43 2.921 3.652 1.616 1.00 0.00 C ATOM 480 SD MET A 43 3.858 4.760 0.544 1.00 0.00 S ATOM 481 CE MET A 43 4.270 6.074 1.689 1.00 0.00 C ATOM 0 H MET A 43 -0.889 3.857 1.869 1.00 0.00 H new ATOM 0 HA MET A 43 1.190 2.318 2.945 1.00 0.00 H new ATOM 0 HB2 MET A 43 0.959 4.348 1.112 1.00 0.00 H new ATOM 0 HB3 MET A 43 1.704 5.207 2.445 1.00 0.00 H new ATOM 0 HG2 MET A 43 3.500 3.450 2.517 1.00 0.00 H new ATOM 0 HG3 MET A 43 2.778 2.698 1.109 1.00 0.00 H new ATOM 0 HE1 MET A 43 5.171 6.584 1.349 1.00 0.00 H new ATOM 0 HE2 MET A 43 3.446 6.786 1.737 1.00 0.00 H new ATOM 0 HE3 MET A 43 4.443 5.653 2.679 1.00 0.00 H new ATOM 491 N LYS A 44 0.181 4.790 4.869 1.00 0.00 N ATOM 492 CA LYS A 44 0.300 5.342 6.217 1.00 0.00 C ATOM 493 C LYS A 44 0.069 4.258 7.269 1.00 0.00 C ATOM 494 O LYS A 44 0.943 3.989 8.094 1.00 0.00 O ATOM 495 CB LYS A 44 -0.693 6.492 6.426 1.00 0.00 C ATOM 496 CG LYS A 44 -0.135 7.859 6.061 1.00 0.00 C ATOM 497 CD LYS A 44 -1.225 8.919 6.046 1.00 0.00 C ATOM 498 CE LYS A 44 -0.638 10.317 5.928 1.00 0.00 C ATOM 499 NZ LYS A 44 -1.601 11.365 6.368 1.00 0.00 N ATOM 0 H LYS A 44 -0.580 5.184 4.315 1.00 0.00 H new ATOM 0 HA LYS A 44 1.312 5.730 6.329 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.585 6.303 5.829 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.006 6.504 7.470 1.00 0.00 H new ATOM 0 HG2 LYS A 44 0.638 8.140 6.776 1.00 0.00 H new ATOM 0 HG3 LYS A 44 0.340 7.810 5.081 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.902 8.735 5.212 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.817 8.847 6.958 1.00 0.00 H new ATOM 0 HE2 LYS A 44 0.268 10.382 6.530 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -0.348 10.502 4.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -1.162 12.303 6.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -2.456 11.321 5.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -1.859 11.204 7.363 1.00 0.00 H new ATOM 513 N ALA A 45 -1.110 3.635 7.231 1.00 0.00 N ATOM 514 CA ALA A 45 -1.456 2.576 8.181 1.00 0.00 C ATOM 515 C ALA A 45 -0.520 1.374 8.049 1.00 0.00 C ATOM 516 O ALA A 45 -0.148 0.759 9.049 1.00 0.00 O ATOM 517 CB ALA A 45 -2.903 2.142 7.991 1.00 0.00 C ATOM 0 H ALA A 45 -1.842 3.845 6.552 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.337 2.982 9.185 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.143 1.354 8.705 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.563 2.994 8.155 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -3.040 1.767 6.977 1.00 0.00 H new ATOM 523 N TYR A 46 -0.144 1.043 6.813 1.00 0.00 N ATOM 524 CA TYR A 46 0.749 -0.087 6.559 1.00 0.00 C ATOM 525 C TYR A 46 2.147 0.168 7.124 1.00 0.00 C ATOM 526 O TYR A 46 2.792 -0.750 7.629 1.00 0.00 O ATOM 527 CB TYR A 46 0.841 -0.373 5.056 1.00 0.00 C ATOM 528 CG TYR A 46 1.675 -1.592 4.720 1.00 0.00 C ATOM 529 CD1 TYR A 46 1.133 -2.868 4.798 1.00 0.00 C ATOM 530 CD2 TYR A 46 3.004 -1.466 4.330 1.00 0.00 C ATOM 531 CE1 TYR A 46 1.889 -3.984 4.495 1.00 0.00 C ATOM 532 CE2 TYR A 46 3.766 -2.579 4.024 1.00 0.00 C ATOM 533 CZ TYR A 46 3.204 -3.836 4.109 1.00 0.00 C ATOM 534 OH TYR A 46 3.959 -4.948 3.808 1.00 0.00 O ATOM 0 H TYR A 46 -0.443 1.540 5.974 1.00 0.00 H new ATOM 0 HA TYR A 46 0.329 -0.957 7.064 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -0.165 -0.511 4.659 1.00 0.00 H new ATOM 0 HB3 TYR A 46 1.266 0.497 4.555 1.00 0.00 H new ATOM 0 HD1 TYR A 46 0.103 -2.990 5.101 1.00 0.00 H new ATOM 0 HD2 TYR A 46 3.448 -0.484 4.265 1.00 0.00 H new ATOM 0 HE1 TYR A 46 1.451 -4.969 4.560 1.00 0.00 H new ATOM 0 HE2 TYR A 46 4.796 -2.465 3.720 1.00 0.00 H new ATOM 0 HH TYR A 46 3.377 -5.652 3.454 1.00 0.00 H new ATOM 544 N SER A 47 2.614 1.413 7.031 1.00 0.00 N ATOM 545 CA SER A 47 3.940 1.777 7.530 1.00 0.00 C ATOM 546 C SER A 47 3.936 2.002 9.044 1.00 0.00 C ATOM 547 O SER A 47 4.940 1.754 9.712 1.00 0.00 O ATOM 548 CB SER A 47 4.451 3.031 6.814 1.00 0.00 C ATOM 549 OG SER A 47 4.749 2.757 5.454 1.00 0.00 O ATOM 0 H SER A 47 2.094 2.186 6.615 1.00 0.00 H new ATOM 0 HA SER A 47 4.610 0.943 7.320 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.700 3.819 6.873 1.00 0.00 H new ATOM 0 HB3 SER A 47 5.344 3.403 7.317 1.00 0.00 H new ATOM 0 HG SER A 47 3.944 2.886 4.910 1.00 0.00 H new ATOM 555 N GLU A 48 2.812 2.477 9.583 1.00 0.00 N ATOM 556 CA GLU A 48 2.706 2.735 11.019 1.00 0.00 C ATOM 557 C GLU A 48 2.466 1.447 11.809 1.00 0.00 C ATOM 558 O GLU A 48 3.229 1.124 12.721 1.00 0.00 O ATOM 559 CB GLU A 48 1.593 3.746 11.305 1.00 0.00 C ATOM 560 CG GLU A 48 1.999 4.826 12.297 1.00 0.00 C ATOM 561 CD GLU A 48 1.543 6.209 11.875 1.00 0.00 C ATOM 562 OE1 GLU A 48 2.161 6.784 10.954 1.00 0.00 O ATOM 563 OE2 GLU A 48 0.570 6.718 12.469 1.00 0.00 O ATOM 0 H GLU A 48 1.968 2.689 9.051 1.00 0.00 H new ATOM 0 HA GLU A 48 3.658 3.154 11.345 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.291 4.217 10.370 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.722 3.217 11.691 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.579 4.592 13.275 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.083 4.823 12.407 1.00 0.00 H new ATOM 570 N ARG A 49 1.406 0.715 11.456 1.00 0.00 N ATOM 571 CA ARG A 49 1.071 -0.542 12.136 1.00 0.00 C ATOM 572 C ARG A 49 2.252 -1.515 12.123 1.00 0.00 C ATOM 573 O ARG A 49 2.437 -2.289 13.063 1.00 0.00 O ATOM 574 CB ARG A 49 -0.145 -1.200 11.475 1.00 0.00 C ATOM 575 CG ARG A 49 -1.155 -1.758 12.465 1.00 0.00 C ATOM 576 CD ARG A 49 -0.665 -3.052 13.099 1.00 0.00 C ATOM 577 NE ARG A 49 -0.104 -2.833 14.434 1.00 0.00 N ATOM 578 CZ ARG A 49 0.107 -3.803 15.327 1.00 0.00 C ATOM 579 NH1 ARG A 49 -0.191 -5.068 15.038 1.00 0.00 N ATOM 580 NH2 ARG A 49 0.628 -3.509 16.513 1.00 0.00 N ATOM 0 H ARG A 49 0.765 0.969 10.705 1.00 0.00 H new ATOM 0 HA ARG A 49 0.834 -0.302 13.173 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -0.641 -0.468 10.838 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.198 -2.006 10.827 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -1.346 -1.020 13.244 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -2.102 -1.938 11.956 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -1.492 -3.759 13.165 1.00 0.00 H new ATOM 0 HD3 ARG A 49 0.091 -3.506 12.458 1.00 0.00 H new ATOM 0 HE ARG A 49 0.141 -1.879 14.698 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -0.585 -5.304 14.127 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -0.026 -5.801 15.728 1.00 0.00 H new ATOM 0 HH21 ARG A 49 0.866 -2.544 16.740 1.00 0.00 H new ATOM 0 HH22 ARG A 49 0.790 -4.249 17.196 1.00 0.00 H new ATOM 594 N GLN A 50 3.044 -1.471 11.052 1.00 0.00 N ATOM 595 CA GLN A 50 4.203 -2.349 10.916 1.00 0.00 C ATOM 596 C GLN A 50 5.350 -1.897 11.819 1.00 0.00 C ATOM 597 O GLN A 50 5.860 -2.682 12.621 1.00 0.00 O ATOM 598 CB GLN A 50 4.669 -2.392 9.459 1.00 0.00 C ATOM 599 CG GLN A 50 5.280 -3.722 9.055 1.00 0.00 C ATOM 600 CD GLN A 50 5.074 -4.033 7.585 1.00 0.00 C ATOM 601 OE1 GLN A 50 5.905 -3.689 6.744 1.00 0.00 O ATOM 602 NE2 GLN A 50 3.961 -4.683 7.268 1.00 0.00 N ATOM 0 H GLN A 50 2.903 -0.836 10.266 1.00 0.00 H new ATOM 0 HA GLN A 50 3.902 -3.350 11.225 1.00 0.00 H new ATOM 0 HB2 GLN A 50 3.821 -2.179 8.809 1.00 0.00 H new ATOM 0 HB3 GLN A 50 5.401 -1.601 9.297 1.00 0.00 H new ATOM 0 HG2 GLN A 50 6.348 -3.709 9.274 1.00 0.00 H new ATOM 0 HG3 GLN A 50 4.841 -4.518 9.656 1.00 0.00 H new ATOM 0 HE21 GLN A 50 3.300 -4.949 7.998 1.00 0.00 H new ATOM 0 HE22 GLN A 50 3.767 -4.917 6.294 1.00 0.00 H new ATOM 611 N GLY A 51 5.756 -0.633 11.680 1.00 0.00 N ATOM 612 CA GLY A 51 6.845 -0.105 12.487 1.00 0.00 C ATOM 613 C GLY A 51 7.792 0.789 11.699 1.00 0.00 C ATOM 614 O GLY A 51 8.691 1.402 12.277 1.00 0.00 O ATOM 0 H GLY A 51 5.349 0.033 11.023 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.430 0.461 13.321 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.409 -0.935 12.914 1.00 0.00 H new ATOM 618 N LEU A 52 7.591 0.870 10.379 1.00 0.00 N ATOM 619 CA LEU A 52 8.429 1.699 9.522 1.00 0.00 C ATOM 620 C LEU A 52 8.144 3.185 9.758 1.00 0.00 C ATOM 621 O LEU A 52 7.476 3.556 10.725 1.00 0.00 O ATOM 622 CB LEU A 52 8.201 1.348 8.046 1.00 0.00 C ATOM 623 CG LEU A 52 8.136 -0.149 7.724 1.00 0.00 C ATOM 624 CD1 LEU A 52 7.782 -0.365 6.260 1.00 0.00 C ATOM 625 CD2 LEU A 52 9.456 -0.830 8.064 1.00 0.00 C ATOM 0 H LEU A 52 6.853 0.369 9.885 1.00 0.00 H new ATOM 0 HA LEU A 52 9.471 1.501 9.774 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.270 1.812 7.720 1.00 0.00 H new ATOM 0 HB3 LEU A 52 9.003 1.794 7.457 1.00 0.00 H new ATOM 0 HG LEU A 52 7.354 -0.598 8.336 1.00 0.00 H new ATOM 0 HD11 LEU A 52 7.740 -1.434 6.050 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.811 0.084 6.050 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.540 0.100 5.630 1.00 0.00 H new ATOM 0 HD21 LEU A 52 9.389 -1.892 7.828 1.00 0.00 H new ATOM 0 HD22 LEU A 52 10.259 -0.379 7.481 1.00 0.00 H new ATOM 0 HD23 LEU A 52 9.666 -0.707 9.127 1.00 0.00 H new ATOM 637 N SER A 53 8.656 4.029 8.866 1.00 0.00 N ATOM 638 CA SER A 53 8.465 5.473 8.971 1.00 0.00 C ATOM 639 C SER A 53 7.661 6.012 7.791 1.00 0.00 C ATOM 640 O SER A 53 7.590 5.381 6.736 1.00 0.00 O ATOM 641 CB SER A 53 9.821 6.180 9.034 1.00 0.00 C ATOM 642 OG SER A 53 10.289 6.268 10.368 1.00 0.00 O ATOM 0 H SER A 53 9.208 3.737 8.060 1.00 0.00 H new ATOM 0 HA SER A 53 7.907 5.671 9.886 1.00 0.00 H new ATOM 0 HB2 SER A 53 10.546 5.638 8.426 1.00 0.00 H new ATOM 0 HB3 SER A 53 9.733 7.180 8.609 1.00 0.00 H new ATOM 0 HG SER A 53 11.157 6.722 10.381 1.00 0.00 H new ATOM 648 N MET A 54 7.071 7.191 7.976 1.00 0.00 N ATOM 649 CA MET A 54 6.283 7.827 6.924 1.00 0.00 C ATOM 650 C MET A 54 7.134 8.815 6.119 1.00 0.00 C ATOM 651 O MET A 54 6.620 9.805 5.594 1.00 0.00 O ATOM 652 CB MET A 54 5.069 8.543 7.528 1.00 0.00 C ATOM 653 CG MET A 54 3.880 8.622 6.584 1.00 0.00 C ATOM 654 SD MET A 54 3.250 10.303 6.395 1.00 0.00 S ATOM 655 CE MET A 54 3.688 10.646 4.691 1.00 0.00 C ATOM 0 H MET A 54 7.124 7.724 8.844 1.00 0.00 H new ATOM 0 HA MET A 54 5.934 7.048 6.246 1.00 0.00 H new ATOM 0 HB2 MET A 54 4.767 8.024 8.438 1.00 0.00 H new ATOM 0 HB3 MET A 54 5.360 9.553 7.818 1.00 0.00 H new ATOM 0 HG2 MET A 54 4.171 8.236 5.607 1.00 0.00 H new ATOM 0 HG3 MET A 54 3.082 7.979 6.957 1.00 0.00 H new ATOM 0 HE1 MET A 54 2.955 11.326 4.257 1.00 0.00 H new ATOM 0 HE2 MET A 54 4.676 11.106 4.655 1.00 0.00 H new ATOM 0 HE3 MET A 54 3.700 9.715 4.124 1.00 0.00 H new ATOM 665 N ARG A 55 8.437 8.541 6.021 1.00 0.00 N ATOM 666 CA ARG A 55 9.352 9.406 5.279 1.00 0.00 C ATOM 667 C ARG A 55 10.260 8.606 4.335 1.00 0.00 C ATOM 668 O ARG A 55 11.165 9.171 3.717 1.00 0.00 O ATOM 669 CB ARG A 55 10.205 10.232 6.249 1.00 0.00 C ATOM 670 CG ARG A 55 10.980 9.395 7.258 1.00 0.00 C ATOM 671 CD ARG A 55 12.465 9.729 7.243 1.00 0.00 C ATOM 672 NE ARG A 55 13.294 8.567 7.568 1.00 0.00 N ATOM 673 CZ ARG A 55 14.587 8.635 7.898 1.00 0.00 C ATOM 674 NH1 ARG A 55 15.215 9.807 7.945 1.00 0.00 N ATOM 675 NH2 ARG A 55 15.257 7.522 8.176 1.00 0.00 N ATOM 0 H ARG A 55 8.880 7.727 6.447 1.00 0.00 H new ATOM 0 HA ARG A 55 8.745 10.074 4.668 1.00 0.00 H new ATOM 0 HB2 ARG A 55 10.909 10.835 5.675 1.00 0.00 H new ATOM 0 HB3 ARG A 55 9.558 10.924 6.787 1.00 0.00 H new ATOM 0 HG2 ARG A 55 10.579 9.565 8.257 1.00 0.00 H new ATOM 0 HG3 ARG A 55 10.843 8.337 7.035 1.00 0.00 H new ATOM 0 HD2 ARG A 55 12.741 10.107 6.259 1.00 0.00 H new ATOM 0 HD3 ARG A 55 12.664 10.527 7.958 1.00 0.00 H new ATOM 0 HE ARG A 55 12.856 7.646 7.541 1.00 0.00 H new ATOM 0 HH11 ARG A 55 14.709 10.666 7.728 1.00 0.00 H new ATOM 0 HH12 ARG A 55 16.202 9.847 8.198 1.00 0.00 H new ATOM 0 HH21 ARG A 55 14.784 6.619 8.137 1.00 0.00 H new ATOM 0 HH22 ARG A 55 16.244 7.570 8.428 1.00 0.00 H new ATOM 689 N GLN A 56 10.013 7.296 4.211 1.00 0.00 N ATOM 690 CA GLN A 56 10.805 6.451 3.332 1.00 0.00 C ATOM 691 C GLN A 56 10.053 5.163 3.012 1.00 0.00 C ATOM 692 O GLN A 56 10.341 4.102 3.570 1.00 0.00 O ATOM 693 CB GLN A 56 12.153 6.131 3.985 1.00 0.00 C ATOM 694 CG GLN A 56 13.191 5.604 3.010 1.00 0.00 C ATOM 695 CD GLN A 56 14.017 4.475 3.592 1.00 0.00 C ATOM 696 OE1 GLN A 56 14.976 4.708 4.328 1.00 0.00 O ATOM 697 NE2 GLN A 56 13.647 3.242 3.267 1.00 0.00 N ATOM 0 H GLN A 56 9.271 6.806 4.711 1.00 0.00 H new ATOM 0 HA GLN A 56 10.984 6.987 2.400 1.00 0.00 H new ATOM 0 HB2 GLN A 56 12.539 7.032 4.462 1.00 0.00 H new ATOM 0 HB3 GLN A 56 12.000 5.394 4.773 1.00 0.00 H new ATOM 0 HG2 GLN A 56 12.691 5.255 2.106 1.00 0.00 H new ATOM 0 HG3 GLN A 56 13.853 6.418 2.714 1.00 0.00 H new ATOM 0 HE21 GLN A 56 12.845 3.095 2.654 1.00 0.00 H new ATOM 0 HE22 GLN A 56 14.164 2.442 3.631 1.00 0.00 H new ATOM 706 N ILE A 57 9.090 5.273 2.104 1.00 0.00 N ATOM 707 CA ILE A 57 8.276 4.130 1.683 1.00 0.00 C ATOM 708 C ILE A 57 7.877 4.262 0.212 1.00 0.00 C ATOM 709 O ILE A 57 7.827 5.369 -0.329 1.00 0.00 O ATOM 710 CB ILE A 57 6.987 3.998 2.531 1.00 0.00 C ATOM 711 CG1 ILE A 57 7.274 4.221 4.023 1.00 0.00 C ATOM 712 CG2 ILE A 57 6.334 2.639 2.312 1.00 0.00 C ATOM 713 CD1 ILE A 57 7.973 3.057 4.698 1.00 0.00 C ATOM 0 H ILE A 57 8.850 6.149 1.640 1.00 0.00 H new ATOM 0 HA ILE A 57 8.888 3.240 1.827 1.00 0.00 H new ATOM 0 HB ILE A 57 6.295 4.773 2.203 1.00 0.00 H new ATOM 0 HG12 ILE A 57 7.888 5.114 4.135 1.00 0.00 H new ATOM 0 HG13 ILE A 57 6.333 4.415 4.538 1.00 0.00 H new ATOM 0 HG21 ILE A 57 5.430 2.568 2.917 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.076 2.525 1.259 1.00 0.00 H new ATOM 0 HG23 ILE A 57 7.028 1.851 2.603 1.00 0.00 H new ATOM 0 HD11 ILE A 57 8.140 3.293 5.749 1.00 0.00 H new ATOM 0 HD12 ILE A 57 7.352 2.165 4.620 1.00 0.00 H new ATOM 0 HD13 ILE A 57 8.931 2.875 4.210 1.00 0.00 H new ATOM 725 N ARG A 58 7.585 3.127 -0.425 1.00 0.00 N ATOM 726 CA ARG A 58 7.179 3.112 -1.831 1.00 0.00 C ATOM 727 C ARG A 58 6.435 1.820 -2.179 1.00 0.00 C ATOM 728 O ARG A 58 6.623 0.789 -1.527 1.00 0.00 O ATOM 729 CB ARG A 58 8.398 3.279 -2.746 1.00 0.00 C ATOM 730 CG ARG A 58 9.389 2.128 -2.672 1.00 0.00 C ATOM 731 CD ARG A 58 10.476 2.257 -3.728 1.00 0.00 C ATOM 732 NE ARG A 58 10.422 1.177 -4.715 1.00 0.00 N ATOM 733 CZ ARG A 58 11.382 0.935 -5.611 1.00 0.00 C ATOM 734 NH1 ARG A 58 12.474 1.694 -5.652 1.00 0.00 N ATOM 735 NH2 ARG A 58 11.250 -0.070 -6.470 1.00 0.00 N ATOM 0 H ARG A 58 7.622 2.206 0.011 1.00 0.00 H new ATOM 0 HA ARG A 58 6.501 3.950 -1.989 1.00 0.00 H new ATOM 0 HB2 ARG A 58 8.055 3.384 -3.775 1.00 0.00 H new ATOM 0 HB3 ARG A 58 8.911 4.204 -2.485 1.00 0.00 H new ATOM 0 HG2 ARG A 58 9.844 2.102 -1.682 1.00 0.00 H new ATOM 0 HG3 ARG A 58 8.861 1.184 -2.805 1.00 0.00 H new ATOM 0 HD2 ARG A 58 10.374 3.216 -4.236 1.00 0.00 H new ATOM 0 HD3 ARG A 58 11.452 2.255 -3.243 1.00 0.00 H new ATOM 0 HE ARG A 58 9.601 0.572 -4.718 1.00 0.00 H new ATOM 0 HH11 ARG A 58 12.582 2.467 -4.996 1.00 0.00 H new ATOM 0 HH12 ARG A 58 13.203 1.502 -6.340 1.00 0.00 H new ATOM 0 HH21 ARG A 58 10.416 -0.656 -6.445 1.00 0.00 H new ATOM 0 HH22 ARG A 58 11.983 -0.255 -7.155 1.00 0.00 H new ATOM 749 N PHE A 59 5.591 1.886 -3.209 1.00 0.00 N ATOM 750 CA PHE A 59 4.817 0.726 -3.651 1.00 0.00 C ATOM 751 C PHE A 59 5.136 0.377 -5.105 1.00 0.00 C ATOM 752 O PHE A 59 5.570 1.235 -5.878 1.00 0.00 O ATOM 753 CB PHE A 59 3.317 0.996 -3.494 1.00 0.00 C ATOM 754 CG PHE A 59 2.739 0.480 -2.204 1.00 0.00 C ATOM 755 CD1 PHE A 59 3.261 0.880 -0.985 1.00 0.00 C ATOM 756 CD2 PHE A 59 1.675 -0.410 -2.214 1.00 0.00 C ATOM 757 CE1 PHE A 59 2.731 0.406 0.201 1.00 0.00 C ATOM 758 CE2 PHE A 59 1.141 -0.886 -1.031 1.00 0.00 C ATOM 759 CZ PHE A 59 1.672 -0.480 0.177 1.00 0.00 C ATOM 0 H PHE A 59 5.426 2.732 -3.754 1.00 0.00 H new ATOM 0 HA PHE A 59 5.093 -0.123 -3.025 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.142 2.070 -3.556 1.00 0.00 H new ATOM 0 HB3 PHE A 59 2.786 0.538 -4.328 1.00 0.00 H new ATOM 0 HD1 PHE A 59 4.091 1.570 -0.961 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.259 -0.735 -3.156 1.00 0.00 H new ATOM 0 HE1 PHE A 59 3.145 0.728 1.145 1.00 0.00 H new ATOM 0 HE2 PHE A 59 0.309 -1.575 -1.052 1.00 0.00 H new ATOM 0 HZ PHE A 59 1.260 -0.855 1.102 1.00 0.00 H new ATOM 769 N ARG A 60 4.919 -0.889 -5.469 1.00 0.00 N ATOM 770 CA ARG A 60 5.186 -1.358 -6.828 1.00 0.00 C ATOM 771 C ARG A 60 4.146 -2.387 -7.272 1.00 0.00 C ATOM 772 O ARG A 60 4.013 -3.449 -6.661 1.00 0.00 O ATOM 773 CB ARG A 60 6.586 -1.976 -6.907 1.00 0.00 C ATOM 774 CG ARG A 60 7.647 -1.027 -7.442 1.00 0.00 C ATOM 775 CD ARG A 60 7.961 -1.303 -8.906 1.00 0.00 C ATOM 776 NE ARG A 60 9.388 -1.550 -9.126 1.00 0.00 N ATOM 777 CZ ARG A 60 10.001 -2.705 -8.845 1.00 0.00 C ATOM 778 NH1 ARG A 60 9.318 -3.725 -8.330 1.00 0.00 N ATOM 779 NH2 ARG A 60 11.303 -2.839 -9.081 1.00 0.00 N ATOM 0 H ARG A 60 4.559 -1.607 -4.840 1.00 0.00 H new ATOM 0 HA ARG A 60 5.128 -0.499 -7.496 1.00 0.00 H new ATOM 0 HB2 ARG A 60 6.881 -2.313 -5.913 1.00 0.00 H new ATOM 0 HB3 ARG A 60 6.547 -2.859 -7.544 1.00 0.00 H new ATOM 0 HG2 ARG A 60 7.305 0.002 -7.331 1.00 0.00 H new ATOM 0 HG3 ARG A 60 8.556 -1.126 -6.849 1.00 0.00 H new ATOM 0 HD2 ARG A 60 7.388 -2.167 -9.243 1.00 0.00 H new ATOM 0 HD3 ARG A 60 7.643 -0.454 -9.511 1.00 0.00 H new ATOM 0 HE ARG A 60 9.949 -0.794 -9.518 1.00 0.00 H new ATOM 0 HH11 ARG A 60 8.319 -3.629 -8.147 1.00 0.00 H new ATOM 0 HH12 ARG A 60 9.793 -4.602 -8.119 1.00 0.00 H new ATOM 0 HH21 ARG A 60 11.832 -2.062 -9.476 1.00 0.00 H new ATOM 0 HH22 ARG A 60 11.772 -3.719 -8.867 1.00 0.00 H new ATOM 793 N PHE A 61 3.419 -2.070 -8.343 1.00 0.00 N ATOM 794 CA PHE A 61 2.402 -2.974 -8.877 1.00 0.00 C ATOM 795 C PHE A 61 2.901 -3.630 -10.164 1.00 0.00 C ATOM 796 O PHE A 61 2.852 -3.026 -11.237 1.00 0.00 O ATOM 797 CB PHE A 61 1.092 -2.221 -9.139 1.00 0.00 C ATOM 798 CG PHE A 61 -0.038 -3.115 -9.575 1.00 0.00 C ATOM 799 CD1 PHE A 61 -0.792 -3.808 -8.641 1.00 0.00 C ATOM 800 CD2 PHE A 61 -0.344 -3.265 -10.920 1.00 0.00 C ATOM 801 CE1 PHE A 61 -1.826 -4.633 -9.038 1.00 0.00 C ATOM 802 CE2 PHE A 61 -1.377 -4.090 -11.323 1.00 0.00 C ATOM 803 CZ PHE A 61 -2.120 -4.774 -10.380 1.00 0.00 C ATOM 0 H PHE A 61 3.516 -1.194 -8.857 1.00 0.00 H new ATOM 0 HA PHE A 61 2.210 -3.751 -8.137 1.00 0.00 H new ATOM 0 HB2 PHE A 61 0.798 -1.693 -8.232 1.00 0.00 H new ATOM 0 HB3 PHE A 61 1.264 -1.466 -9.906 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -0.568 -3.702 -7.590 1.00 0.00 H new ATOM 0 HD2 PHE A 61 0.232 -2.731 -11.661 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.404 -5.168 -8.299 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -1.603 -4.200 -12.373 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.929 -5.418 -10.692 1.00 0.00 H new ATOM 813 N ASP A 62 3.393 -4.865 -10.044 1.00 0.00 N ATOM 814 CA ASP A 62 3.919 -5.609 -11.192 1.00 0.00 C ATOM 815 C ASP A 62 5.010 -4.811 -11.916 1.00 0.00 C ATOM 816 O ASP A 62 5.089 -4.813 -13.147 1.00 0.00 O ATOM 817 CB ASP A 62 2.786 -5.967 -12.161 1.00 0.00 C ATOM 818 CG ASP A 62 2.177 -7.323 -11.860 1.00 0.00 C ATOM 819 OD1 ASP A 62 2.743 -8.342 -12.312 1.00 0.00 O ATOM 820 OD2 ASP A 62 1.136 -7.366 -11.172 1.00 0.00 O ATOM 0 H ASP A 62 3.438 -5.373 -9.161 1.00 0.00 H new ATOM 0 HA ASP A 62 4.367 -6.530 -10.820 1.00 0.00 H new ATOM 0 HB2 ASP A 62 2.010 -5.203 -12.107 1.00 0.00 H new ATOM 0 HB3 ASP A 62 3.169 -5.962 -13.182 1.00 0.00 H new ATOM 825 N GLY A 63 5.850 -4.126 -11.137 1.00 0.00 N ATOM 826 CA GLY A 63 6.924 -3.331 -11.708 1.00 0.00 C ATOM 827 C GLY A 63 6.496 -1.914 -12.064 1.00 0.00 C ATOM 828 O GLY A 63 7.126 -1.267 -12.902 1.00 0.00 O ATOM 0 H GLY A 63 5.803 -4.109 -10.118 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.751 -3.287 -10.999 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.298 -3.827 -12.604 1.00 0.00 H new ATOM 832 N GLN A 64 5.430 -1.424 -11.425 1.00 0.00 N ATOM 833 CA GLN A 64 4.934 -0.075 -11.680 1.00 0.00 C ATOM 834 C GLN A 64 5.082 0.798 -10.435 1.00 0.00 C ATOM 835 O GLN A 64 4.199 0.816 -9.575 1.00 0.00 O ATOM 836 CB GLN A 64 3.465 -0.112 -12.115 1.00 0.00 C ATOM 837 CG GLN A 64 3.270 -0.286 -13.615 1.00 0.00 C ATOM 838 CD GLN A 64 2.167 -1.273 -13.951 1.00 0.00 C ATOM 839 OE1 GLN A 64 0.991 -0.913 -14.003 1.00 0.00 O ATOM 840 NE2 GLN A 64 2.543 -2.526 -14.180 1.00 0.00 N ATOM 0 H GLN A 64 4.896 -1.944 -10.728 1.00 0.00 H new ATOM 0 HA GLN A 64 5.530 0.355 -12.485 1.00 0.00 H new ATOM 0 HB2 GLN A 64 2.963 -0.929 -11.596 1.00 0.00 H new ATOM 0 HB3 GLN A 64 2.980 0.812 -11.800 1.00 0.00 H new ATOM 0 HG2 GLN A 64 3.036 0.680 -14.061 1.00 0.00 H new ATOM 0 HG3 GLN A 64 4.204 -0.625 -14.062 1.00 0.00 H new ATOM 0 HE21 GLN A 64 3.529 -2.780 -14.126 1.00 0.00 H new ATOM 0 HE22 GLN A 64 1.845 -3.234 -14.410 1.00 0.00 H new ATOM 849 N PRO A 65 6.208 1.532 -10.319 1.00 0.00 N ATOM 850 CA PRO A 65 6.472 2.413 -9.172 1.00 0.00 C ATOM 851 C PRO A 65 5.335 3.406 -8.940 1.00 0.00 C ATOM 852 O PRO A 65 5.090 4.286 -9.768 1.00 0.00 O ATOM 853 CB PRO A 65 7.754 3.151 -9.575 1.00 0.00 C ATOM 854 CG PRO A 65 8.423 2.243 -10.545 1.00 0.00 C ATOM 855 CD PRO A 65 7.315 1.559 -11.295 1.00 0.00 C ATOM 0 HA PRO A 65 6.564 1.856 -8.240 1.00 0.00 H new ATOM 0 HB2 PRO A 65 7.529 4.117 -10.027 1.00 0.00 H new ATOM 0 HB3 PRO A 65 8.389 3.344 -8.710 1.00 0.00 H new ATOM 0 HG2 PRO A 65 9.068 2.802 -11.223 1.00 0.00 H new ATOM 0 HG3 PRO A 65 9.054 1.518 -10.031 1.00 0.00 H new ATOM 0 HD2 PRO A 65 7.042 2.107 -12.197 1.00 0.00 H new ATOM 0 HD3 PRO A 65 7.601 0.554 -11.606 1.00 0.00 H new ATOM 863 N ILE A 66 4.638 3.254 -7.813 1.00 0.00 N ATOM 864 CA ILE A 66 3.521 4.136 -7.477 1.00 0.00 C ATOM 865 C ILE A 66 3.802 4.934 -6.205 1.00 0.00 C ATOM 866 O ILE A 66 4.429 4.434 -5.268 1.00 0.00 O ATOM 867 CB ILE A 66 2.199 3.350 -7.310 1.00 0.00 C ATOM 868 CG1 ILE A 66 2.386 2.156 -6.367 1.00 0.00 C ATOM 869 CG2 ILE A 66 1.684 2.884 -8.666 1.00 0.00 C ATOM 870 CD1 ILE A 66 1.090 1.456 -6.009 1.00 0.00 C ATOM 0 H ILE A 66 4.827 2.530 -7.120 1.00 0.00 H new ATOM 0 HA ILE A 66 3.411 4.828 -8.312 1.00 0.00 H new ATOM 0 HB ILE A 66 1.460 4.018 -6.867 1.00 0.00 H new ATOM 0 HG12 ILE A 66 3.060 1.438 -6.833 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.869 2.499 -5.452 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.753 2.333 -8.532 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.504 3.749 -9.304 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.425 2.236 -9.134 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.300 0.622 -5.339 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.421 2.160 -5.514 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.616 1.082 -6.916 1.00 0.00 H new ATOM 882 N ASN A 67 3.332 6.182 -6.188 1.00 0.00 N ATOM 883 CA ASN A 67 3.526 7.070 -5.041 1.00 0.00 C ATOM 884 C ASN A 67 2.345 6.985 -4.074 1.00 0.00 C ATOM 885 O ASN A 67 1.312 6.390 -4.389 1.00 0.00 O ATOM 886 CB ASN A 67 3.698 8.519 -5.511 1.00 0.00 C ATOM 887 CG ASN A 67 4.994 8.739 -6.269 1.00 0.00 C ATOM 888 OD1 ASN A 67 5.190 8.196 -7.358 1.00 0.00 O ATOM 889 ND2 ASN A 67 5.889 9.540 -5.701 1.00 0.00 N ATOM 0 H ASN A 67 2.812 6.602 -6.959 1.00 0.00 H new ATOM 0 HA ASN A 67 4.428 6.748 -4.520 1.00 0.00 H new ATOM 0 HB2 ASN A 67 2.858 8.792 -6.149 1.00 0.00 H new ATOM 0 HB3 ASN A 67 3.670 9.183 -4.647 1.00 0.00 H new ATOM 0 HD21 ASN A 67 6.777 9.725 -6.168 1.00 0.00 H new ATOM 0 HD22 ASN A 67 5.688 9.970 -4.798 1.00 0.00 H new ATOM 896 N GLU A 68 2.501 7.597 -2.898 1.00 0.00 N ATOM 897 CA GLU A 68 1.445 7.604 -1.884 1.00 0.00 C ATOM 898 C GLU A 68 0.315 8.582 -2.247 1.00 0.00 C ATOM 899 O GLU A 68 -0.685 8.668 -1.534 1.00 0.00 O ATOM 900 CB GLU A 68 2.022 7.959 -0.504 1.00 0.00 C ATOM 901 CG GLU A 68 2.640 9.353 -0.418 1.00 0.00 C ATOM 902 CD GLU A 68 4.108 9.389 -0.810 1.00 0.00 C ATOM 903 OE1 GLU A 68 4.872 8.508 -0.358 1.00 0.00 O ATOM 904 OE2 GLU A 68 4.495 10.301 -1.571 1.00 0.00 O ATOM 0 H GLU A 68 3.349 8.094 -2.625 1.00 0.00 H new ATOM 0 HA GLU A 68 1.023 6.600 -1.848 1.00 0.00 H new ATOM 0 HB2 GLU A 68 1.229 7.880 0.239 1.00 0.00 H new ATOM 0 HB3 GLU A 68 2.780 7.222 -0.240 1.00 0.00 H new ATOM 0 HG2 GLU A 68 2.082 10.030 -1.065 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.535 9.727 0.601 1.00 0.00 H new ATOM 911 N THR A 69 0.470 9.315 -3.356 1.00 0.00 N ATOM 912 CA THR A 69 -0.549 10.274 -3.792 1.00 0.00 C ATOM 913 C THR A 69 -1.486 9.662 -4.843 1.00 0.00 C ATOM 914 O THR A 69 -2.178 10.387 -5.562 1.00 0.00 O ATOM 915 CB THR A 69 0.114 11.541 -4.352 1.00 0.00 C ATOM 916 OG1 THR A 69 0.693 11.295 -5.625 1.00 0.00 O ATOM 917 CG2 THR A 69 1.197 12.105 -3.454 1.00 0.00 C ATOM 0 H THR A 69 1.287 9.262 -3.964 1.00 0.00 H new ATOM 0 HA THR A 69 -1.148 10.538 -2.921 1.00 0.00 H new ATOM 0 HB THR A 69 -0.692 12.272 -4.423 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.107 12.117 -5.961 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.621 12.998 -3.912 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.769 12.362 -2.485 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.981 11.360 -3.318 1.00 0.00 H new ATOM 925 N ASP A 70 -1.506 8.326 -4.930 1.00 0.00 N ATOM 926 CA ASP A 70 -2.356 7.628 -5.893 1.00 0.00 C ATOM 927 C ASP A 70 -3.828 7.686 -5.478 1.00 0.00 C ATOM 928 O ASP A 70 -4.140 7.921 -4.312 1.00 0.00 O ATOM 929 CB ASP A 70 -1.904 6.170 -6.033 1.00 0.00 C ATOM 930 CG ASP A 70 -2.214 5.576 -7.397 1.00 0.00 C ATOM 931 OD1 ASP A 70 -2.361 6.346 -8.372 1.00 0.00 O ATOM 932 OD2 ASP A 70 -2.307 4.335 -7.490 1.00 0.00 O ATOM 0 H ASP A 70 -0.942 7.710 -4.344 1.00 0.00 H new ATOM 0 HA ASP A 70 -2.258 8.129 -6.856 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -0.831 6.110 -5.853 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -2.390 5.570 -5.264 1.00 0.00 H new ATOM 937 N THR A 71 -4.725 7.461 -6.444 1.00 0.00 N ATOM 938 CA THR A 71 -6.170 7.481 -6.190 1.00 0.00 C ATOM 939 C THR A 71 -6.952 6.821 -7.333 1.00 0.00 C ATOM 940 O THR A 71 -7.729 5.898 -7.094 1.00 0.00 O ATOM 941 CB THR A 71 -6.691 8.913 -5.970 1.00 0.00 C ATOM 942 OG1 THR A 71 -5.647 9.871 -6.060 1.00 0.00 O ATOM 943 CG2 THR A 71 -7.371 9.091 -4.629 1.00 0.00 C ATOM 0 H THR A 71 -4.475 7.262 -7.413 1.00 0.00 H new ATOM 0 HA THR A 71 -6.331 6.908 -5.277 1.00 0.00 H new ATOM 0 HB THR A 71 -7.421 9.074 -6.764 1.00 0.00 H new ATOM 0 HG1 THR A 71 -6.013 10.769 -5.917 1.00 0.00 H new ATOM 0 HG21 THR A 71 -7.717 10.120 -4.530 1.00 0.00 H new ATOM 0 HG22 THR A 71 -8.222 8.413 -4.560 1.00 0.00 H new ATOM 0 HG23 THR A 71 -6.664 8.868 -3.830 1.00 0.00 H new ATOM 951 N PRO A 72 -6.772 7.285 -8.596 1.00 0.00 N ATOM 952 CA PRO A 72 -7.483 6.719 -9.752 1.00 0.00 C ATOM 953 C PRO A 72 -7.365 5.197 -9.838 1.00 0.00 C ATOM 954 O PRO A 72 -8.371 4.499 -9.973 1.00 0.00 O ATOM 955 CB PRO A 72 -6.801 7.379 -10.951 1.00 0.00 C ATOM 956 CG PRO A 72 -6.278 8.667 -10.423 1.00 0.00 C ATOM 957 CD PRO A 72 -5.878 8.395 -8.997 1.00 0.00 C ATOM 0 HA PRO A 72 -8.555 6.909 -9.694 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -5.997 6.756 -11.343 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.505 7.542 -11.767 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.426 9.012 -11.009 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -7.037 9.447 -10.474 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.828 8.113 -8.921 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -6.019 9.272 -8.366 1.00 0.00 H new ATOM 965 N ALA A 73 -6.135 4.688 -9.747 1.00 0.00 N ATOM 966 CA ALA A 73 -5.896 3.247 -9.801 1.00 0.00 C ATOM 967 C ALA A 73 -6.582 2.541 -8.635 1.00 0.00 C ATOM 968 O ALA A 73 -7.115 1.439 -8.786 1.00 0.00 O ATOM 969 CB ALA A 73 -4.403 2.955 -9.787 1.00 0.00 C ATOM 0 H ALA A 73 -5.292 5.251 -9.636 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.319 2.867 -10.731 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -4.243 1.878 -9.828 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -3.932 3.425 -10.651 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.963 3.353 -8.873 1.00 0.00 H new ATOM 975 N GLN A 74 -6.564 3.191 -7.471 1.00 0.00 N ATOM 976 CA GLN A 74 -7.184 2.645 -6.268 1.00 0.00 C ATOM 977 C GLN A 74 -8.697 2.463 -6.451 1.00 0.00 C ATOM 978 O GLN A 74 -9.301 1.597 -5.819 1.00 0.00 O ATOM 979 CB GLN A 74 -6.893 3.555 -5.071 1.00 0.00 C ATOM 980 CG GLN A 74 -7.412 3.007 -3.751 1.00 0.00 C ATOM 981 CD GLN A 74 -6.294 2.653 -2.790 1.00 0.00 C ATOM 982 OE1 GLN A 74 -6.015 3.390 -1.845 1.00 0.00 O ATOM 983 NE2 GLN A 74 -5.645 1.519 -3.030 1.00 0.00 N ATOM 0 H GLN A 74 -6.124 4.101 -7.338 1.00 0.00 H new ATOM 0 HA GLN A 74 -6.754 1.661 -6.080 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -5.816 3.707 -4.994 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -7.341 4.532 -5.251 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -8.066 3.745 -3.287 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -8.017 2.121 -3.942 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -5.910 0.938 -3.826 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -4.882 1.229 -2.419 1.00 0.00 H new ATOM 992 N LEU A 75 -9.304 3.271 -7.326 1.00 0.00 N ATOM 993 CA LEU A 75 -10.738 3.173 -7.589 1.00 0.00 C ATOM 994 C LEU A 75 -11.031 2.015 -8.541 1.00 0.00 C ATOM 995 O LEU A 75 -12.064 1.354 -8.424 1.00 0.00 O ATOM 996 CB LEU A 75 -11.264 4.483 -8.182 1.00 0.00 C ATOM 997 CG LEU A 75 -12.772 4.710 -8.029 1.00 0.00 C ATOM 998 CD1 LEU A 75 -13.075 5.422 -6.718 1.00 0.00 C ATOM 999 CD2 LEU A 75 -13.316 5.504 -9.210 1.00 0.00 C ATOM 0 H LEU A 75 -8.825 3.996 -7.860 1.00 0.00 H new ATOM 0 HA LEU A 75 -11.246 2.986 -6.643 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -10.738 5.313 -7.711 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -11.015 4.509 -9.243 1.00 0.00 H new ATOM 0 HG LEU A 75 -13.266 3.739 -8.013 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -14.150 5.575 -6.627 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -12.723 4.815 -5.884 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -12.569 6.387 -6.703 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -14.388 5.655 -9.084 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -12.816 6.471 -9.259 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -13.133 4.954 -10.133 1.00 0.00 H new ATOM 1011 N GLU A 76 -10.112 1.770 -9.481 1.00 0.00 N ATOM 1012 CA GLU A 76 -10.273 0.687 -10.447 1.00 0.00 C ATOM 1013 C GLU A 76 -10.243 -0.674 -9.750 1.00 0.00 C ATOM 1014 O GLU A 76 -11.103 -1.522 -9.990 1.00 0.00 O ATOM 1015 CB GLU A 76 -9.182 0.751 -11.523 1.00 0.00 C ATOM 1016 CG GLU A 76 -9.722 0.985 -12.926 1.00 0.00 C ATOM 1017 CD GLU A 76 -10.731 -0.067 -13.346 1.00 0.00 C ATOM 1018 OE1 GLU A 76 -10.306 -1.174 -13.739 1.00 0.00 O ATOM 1019 OE2 GLU A 76 -11.946 0.216 -13.280 1.00 0.00 O ATOM 0 H GLU A 76 -9.252 2.308 -9.590 1.00 0.00 H new ATOM 0 HA GLU A 76 -11.244 0.810 -10.927 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -8.484 1.550 -11.274 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -8.617 -0.181 -11.511 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -10.188 1.969 -12.972 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.893 0.991 -13.634 1.00 0.00 H new ATOM 1026 N MET A 77 -9.249 -0.871 -8.879 1.00 0.00 N ATOM 1027 CA MET A 77 -9.113 -2.126 -8.138 1.00 0.00 C ATOM 1028 C MET A 77 -9.663 -1.979 -6.719 1.00 0.00 C ATOM 1029 O MET A 77 -9.122 -1.223 -5.909 1.00 0.00 O ATOM 1030 CB MET A 77 -7.646 -2.578 -8.096 1.00 0.00 C ATOM 1031 CG MET A 77 -6.696 -1.572 -7.458 1.00 0.00 C ATOM 1032 SD MET A 77 -5.283 -1.183 -8.509 1.00 0.00 S ATOM 1033 CE MET A 77 -3.947 -1.235 -7.315 1.00 0.00 C ATOM 0 H MET A 77 -8.529 -0.179 -8.671 1.00 0.00 H new ATOM 0 HA MET A 77 -9.694 -2.888 -8.657 1.00 0.00 H new ATOM 0 HB2 MET A 77 -7.583 -3.517 -7.547 1.00 0.00 H new ATOM 0 HB3 MET A 77 -7.312 -2.781 -9.113 1.00 0.00 H new ATOM 0 HG2 MET A 77 -7.241 -0.655 -7.235 1.00 0.00 H new ATOM 0 HG3 MET A 77 -6.338 -1.969 -6.508 1.00 0.00 H new ATOM 0 HE1 MET A 77 -3.210 -0.470 -7.560 1.00 0.00 H new ATOM 0 HE2 MET A 77 -4.344 -1.050 -6.317 1.00 0.00 H new ATOM 0 HE3 MET A 77 -3.474 -2.216 -7.341 1.00 0.00 H new ATOM 1043 N GLU A 78 -10.746 -2.702 -6.423 1.00 0.00 N ATOM 1044 CA GLU A 78 -11.368 -2.643 -5.101 1.00 0.00 C ATOM 1045 C GLU A 78 -12.102 -3.944 -4.759 1.00 0.00 C ATOM 1046 O GLU A 78 -13.332 -3.976 -4.687 1.00 0.00 O ATOM 1047 CB GLU A 78 -12.333 -1.450 -5.011 1.00 0.00 C ATOM 1048 CG GLU A 78 -13.266 -1.308 -6.208 1.00 0.00 C ATOM 1049 CD GLU A 78 -14.720 -1.570 -5.857 1.00 0.00 C ATOM 1050 OE1 GLU A 78 -15.231 -0.929 -4.914 1.00 0.00 O ATOM 1051 OE2 GLU A 78 -15.349 -2.415 -6.527 1.00 0.00 O ATOM 0 H GLU A 78 -11.208 -3.332 -7.079 1.00 0.00 H new ATOM 0 HA GLU A 78 -10.569 -2.510 -4.371 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -12.933 -1.550 -4.107 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -11.751 -0.534 -4.907 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -13.172 -0.303 -6.619 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -12.955 -2.002 -6.989 1.00 0.00 H new ATOM 1058 N ASP A 79 -11.335 -5.013 -4.535 1.00 0.00 N ATOM 1059 CA ASP A 79 -11.906 -6.313 -4.183 1.00 0.00 C ATOM 1060 C ASP A 79 -10.809 -7.308 -3.806 1.00 0.00 C ATOM 1061 O ASP A 79 -10.681 -7.689 -2.642 1.00 0.00 O ATOM 1062 CB ASP A 79 -12.752 -6.869 -5.337 1.00 0.00 C ATOM 1063 CG ASP A 79 -13.948 -7.666 -4.848 1.00 0.00 C ATOM 1064 OD1 ASP A 79 -13.756 -8.581 -4.018 1.00 0.00 O ATOM 1065 OD2 ASP A 79 -15.078 -7.377 -5.296 1.00 0.00 O ATOM 0 H ASP A 79 -10.317 -5.003 -4.591 1.00 0.00 H new ATOM 0 HA ASP A 79 -12.553 -6.168 -3.317 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -13.099 -6.044 -5.959 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -12.129 -7.504 -5.967 1.00 0.00 H new ATOM 1070 N GLU A 80 -10.018 -7.720 -4.796 1.00 0.00 N ATOM 1071 CA GLU A 80 -8.930 -8.667 -4.572 1.00 0.00 C ATOM 1072 C GLU A 80 -7.725 -8.317 -5.443 1.00 0.00 C ATOM 1073 O GLU A 80 -7.628 -8.751 -6.592 1.00 0.00 O ATOM 1074 CB GLU A 80 -9.402 -10.095 -4.870 1.00 0.00 C ATOM 1075 CG GLU A 80 -9.271 -11.046 -3.689 1.00 0.00 C ATOM 1076 CD GLU A 80 -10.441 -12.006 -3.585 1.00 0.00 C ATOM 1077 OE1 GLU A 80 -10.457 -13.007 -4.332 1.00 0.00 O ATOM 1078 OE2 GLU A 80 -11.342 -11.755 -2.757 1.00 0.00 O ATOM 0 H GLU A 80 -10.112 -7.411 -5.763 1.00 0.00 H new ATOM 0 HA GLU A 80 -8.629 -8.606 -3.526 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -10.445 -10.064 -5.185 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -8.827 -10.490 -5.708 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -8.346 -11.614 -3.785 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -9.196 -10.468 -2.768 1.00 0.00 H new ATOM 1085 N ASP A 81 -6.809 -7.521 -4.892 1.00 0.00 N ATOM 1086 CA ASP A 81 -5.614 -7.111 -5.625 1.00 0.00 C ATOM 1087 C ASP A 81 -4.383 -7.123 -4.717 1.00 0.00 C ATOM 1088 O ASP A 81 -4.482 -6.850 -3.519 1.00 0.00 O ATOM 1089 CB ASP A 81 -5.824 -5.721 -6.240 1.00 0.00 C ATOM 1090 CG ASP A 81 -4.968 -5.478 -7.473 1.00 0.00 C ATOM 1091 OD1 ASP A 81 -4.457 -6.459 -8.057 1.00 0.00 O ATOM 1092 OD2 ASP A 81 -4.810 -4.301 -7.858 1.00 0.00 O ATOM 0 H ASP A 81 -6.872 -7.149 -3.944 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.440 -7.826 -6.429 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -6.875 -5.603 -6.506 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.597 -4.961 -5.492 1.00 0.00 H new ATOM 1097 N THR A 82 -3.227 -7.456 -5.295 1.00 0.00 N ATOM 1098 CA THR A 82 -1.979 -7.520 -4.535 1.00 0.00 C ATOM 1099 C THR A 82 -0.940 -6.539 -5.075 1.00 0.00 C ATOM 1100 O THR A 82 -0.891 -6.266 -6.276 1.00 0.00 O ATOM 1101 CB THR A 82 -1.408 -8.943 -4.559 1.00 0.00 C ATOM 1102 OG1 THR A 82 -1.142 -9.364 -5.890 1.00 0.00 O ATOM 1103 CG2 THR A 82 -2.322 -9.972 -3.924 1.00 0.00 C ATOM 0 H THR A 82 -3.130 -7.685 -6.284 1.00 0.00 H new ATOM 0 HA THR A 82 -2.209 -7.240 -3.507 1.00 0.00 H new ATOM 0 HB THR A 82 -0.490 -8.888 -3.974 1.00 0.00 H new ATOM 0 HG1 THR A 82 -0.777 -10.273 -5.879 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.855 -10.955 -3.976 1.00 0.00 H new ATOM 0 HG22 THR A 82 -2.497 -9.709 -2.881 1.00 0.00 H new ATOM 0 HG23 THR A 82 -3.272 -9.993 -4.457 1.00 0.00 H new ATOM 1111 N ILE A 83 -0.107 -6.019 -4.174 1.00 0.00 N ATOM 1112 CA ILE A 83 0.943 -5.075 -4.547 1.00 0.00 C ATOM 1113 C ILE A 83 2.275 -5.461 -3.902 1.00 0.00 C ATOM 1114 O ILE A 83 2.317 -6.299 -2.997 1.00 0.00 O ATOM 1115 CB ILE A 83 0.590 -3.622 -4.142 1.00 0.00 C ATOM 1116 CG1 ILE A 83 -0.929 -3.425 -4.058 1.00 0.00 C ATOM 1117 CG2 ILE A 83 1.197 -2.633 -5.129 1.00 0.00 C ATOM 1118 CD1 ILE A 83 -1.517 -3.777 -2.707 1.00 0.00 C ATOM 0 H ILE A 83 -0.140 -6.237 -3.178 1.00 0.00 H new ATOM 0 HA ILE A 83 1.031 -5.120 -5.633 1.00 0.00 H new ATOM 0 HB ILE A 83 1.011 -3.437 -3.154 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.164 -2.386 -4.287 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.408 -4.036 -4.823 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.940 -1.617 -4.830 1.00 0.00 H new ATOM 0 HG22 ILE A 83 2.281 -2.746 -5.137 1.00 0.00 H new ATOM 0 HG23 ILE A 83 0.805 -2.828 -6.127 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -2.594 -3.612 -2.725 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -1.314 -4.824 -2.484 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -1.066 -3.148 -1.939 1.00 0.00 H new ATOM 1130 N ASP A 84 3.357 -4.842 -4.373 1.00 0.00 N ATOM 1131 CA ASP A 84 4.694 -5.113 -3.851 1.00 0.00 C ATOM 1132 C ASP A 84 5.273 -3.865 -3.192 1.00 0.00 C ATOM 1133 O ASP A 84 5.805 -2.983 -3.870 1.00 0.00 O ATOM 1134 CB ASP A 84 5.619 -5.588 -4.977 1.00 0.00 C ATOM 1135 CG ASP A 84 6.615 -6.635 -4.513 1.00 0.00 C ATOM 1136 OD1 ASP A 84 7.309 -6.393 -3.502 1.00 0.00 O ATOM 1137 OD2 ASP A 84 6.704 -7.696 -5.165 1.00 0.00 O ATOM 0 H ASP A 84 3.332 -4.146 -5.119 1.00 0.00 H new ATOM 0 HA ASP A 84 4.617 -5.901 -3.102 1.00 0.00 H new ATOM 0 HB2 ASP A 84 5.017 -5.999 -5.787 1.00 0.00 H new ATOM 0 HB3 ASP A 84 6.159 -4.733 -5.383 1.00 0.00 H new ATOM 1142 N VAL A 85 5.161 -3.791 -1.868 1.00 0.00 N ATOM 1143 CA VAL A 85 5.671 -2.645 -1.126 1.00 0.00 C ATOM 1144 C VAL A 85 7.175 -2.760 -0.882 1.00 0.00 C ATOM 1145 O VAL A 85 7.641 -3.645 -0.158 1.00 0.00 O ATOM 1146 CB VAL A 85 4.941 -2.454 0.223 1.00 0.00 C ATOM 1147 CG1 VAL A 85 5.130 -3.660 1.130 1.00 0.00 C ATOM 1148 CG2 VAL A 85 5.423 -1.183 0.907 1.00 0.00 C ATOM 0 H VAL A 85 4.723 -4.509 -1.290 1.00 0.00 H new ATOM 0 HA VAL A 85 5.479 -1.770 -1.747 1.00 0.00 H new ATOM 0 HB VAL A 85 3.874 -2.359 0.021 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.604 -3.494 2.070 1.00 0.00 H new ATOM 0 HG12 VAL A 85 4.729 -4.549 0.642 1.00 0.00 H new ATOM 0 HG13 VAL A 85 6.192 -3.803 1.328 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.901 -1.060 1.856 1.00 0.00 H new ATOM 0 HG22 VAL A 85 6.495 -1.252 1.089 1.00 0.00 H new ATOM 0 HG23 VAL A 85 5.218 -0.325 0.267 1.00 0.00 H new ATOM 1158 N PHE A 86 7.926 -1.850 -1.491 1.00 0.00 N ATOM 1159 CA PHE A 86 9.377 -1.826 -1.349 1.00 0.00 C ATOM 1160 C PHE A 86 9.799 -0.793 -0.310 1.00 0.00 C ATOM 1161 O PHE A 86 9.354 0.353 -0.346 1.00 0.00 O ATOM 1162 CB PHE A 86 10.035 -1.513 -2.695 1.00 0.00 C ATOM 1163 CG PHE A 86 10.129 -2.706 -3.601 1.00 0.00 C ATOM 1164 CD1 PHE A 86 9.010 -3.176 -4.269 1.00 0.00 C ATOM 1165 CD2 PHE A 86 11.337 -3.360 -3.783 1.00 0.00 C ATOM 1166 CE1 PHE A 86 9.093 -4.277 -5.099 1.00 0.00 C ATOM 1167 CE2 PHE A 86 11.426 -4.462 -4.612 1.00 0.00 C ATOM 1168 CZ PHE A 86 10.303 -4.920 -5.271 1.00 0.00 C ATOM 0 H PHE A 86 7.552 -1.115 -2.091 1.00 0.00 H new ATOM 0 HA PHE A 86 9.705 -2.810 -1.013 1.00 0.00 H new ATOM 0 HB2 PHE A 86 9.467 -0.729 -3.196 1.00 0.00 H new ATOM 0 HB3 PHE A 86 11.036 -1.119 -2.519 1.00 0.00 H new ATOM 0 HD1 PHE A 86 8.062 -2.676 -4.139 1.00 0.00 H new ATOM 0 HD2 PHE A 86 12.219 -3.004 -3.271 1.00 0.00 H new ATOM 0 HE1 PHE A 86 8.213 -4.634 -5.613 1.00 0.00 H new ATOM 0 HE2 PHE A 86 12.373 -4.964 -4.744 1.00 0.00 H new ATOM 0 HZ PHE A 86 10.371 -5.780 -5.920 1.00 0.00 H new ATOM 1178 N GLN A 87 10.667 -1.206 0.610 1.00 0.00 N ATOM 1179 CA GLN A 87 11.160 -0.317 1.658 1.00 0.00 C ATOM 1180 C GLN A 87 12.541 0.242 1.294 1.00 0.00 C ATOM 1181 O GLN A 87 13.374 0.480 2.172 1.00 0.00 O ATOM 1182 CB GLN A 87 11.224 -1.063 2.995 1.00 0.00 C ATOM 1183 CG GLN A 87 9.859 -1.481 3.526 1.00 0.00 C ATOM 1184 CD GLN A 87 9.595 -2.969 3.376 1.00 0.00 C ATOM 1185 OE1 GLN A 87 10.068 -3.607 2.434 1.00 0.00 O ATOM 1186 NE2 GLN A 87 8.830 -3.532 4.305 1.00 0.00 N ATOM 0 H GLN A 87 11.044 -2.153 0.651 1.00 0.00 H new ATOM 0 HA GLN A 87 10.468 0.520 1.753 1.00 0.00 H new ATOM 0 HB2 GLN A 87 11.846 -1.950 2.877 1.00 0.00 H new ATOM 0 HB3 GLN A 87 11.713 -0.427 3.733 1.00 0.00 H new ATOM 0 HG2 GLN A 87 9.786 -1.209 4.579 1.00 0.00 H new ATOM 0 HG3 GLN A 87 9.084 -0.925 2.998 1.00 0.00 H new ATOM 0 HE21 GLN A 87 8.458 -2.968 5.069 1.00 0.00 H new ATOM 0 HE22 GLN A 87 8.615 -4.528 4.254 1.00 0.00 H new ATOM 1195 N GLN A 88 12.770 0.455 -0.010 1.00 0.00 N ATOM 1196 CA GLN A 88 14.039 0.988 -0.515 1.00 0.00 C ATOM 1197 C GLN A 88 15.182 -0.018 -0.338 1.00 0.00 C ATOM 1198 O GLN A 88 15.142 -0.874 0.549 1.00 0.00 O ATOM 1199 CB GLN A 88 14.383 2.314 0.174 1.00 0.00 C ATOM 1200 CG GLN A 88 14.920 3.369 -0.782 1.00 0.00 C ATOM 1201 CD GLN A 88 13.866 3.862 -1.758 1.00 0.00 C ATOM 1202 OE1 GLN A 88 13.615 3.235 -2.789 1.00 0.00 O ATOM 1203 NE2 GLN A 88 13.240 4.990 -1.439 1.00 0.00 N ATOM 0 H GLN A 88 12.083 0.263 -0.739 1.00 0.00 H new ATOM 0 HA GLN A 88 13.916 1.170 -1.583 1.00 0.00 H new ATOM 0 HB2 GLN A 88 13.491 2.701 0.667 1.00 0.00 H new ATOM 0 HB3 GLN A 88 15.123 2.129 0.953 1.00 0.00 H new ATOM 0 HG2 GLN A 88 15.302 4.213 -0.208 1.00 0.00 H new ATOM 0 HG3 GLN A 88 15.761 2.955 -1.339 1.00 0.00 H new ATOM 0 HE21 GLN A 88 13.478 5.479 -0.576 1.00 0.00 H new ATOM 0 HE22 GLN A 88 12.522 5.367 -2.057 1.00 0.00 H new ATOM 1212 N GLN A 89 16.199 0.088 -1.196 1.00 0.00 N ATOM 1213 CA GLN A 89 17.349 -0.816 -1.140 1.00 0.00 C ATOM 1214 C GLN A 89 18.247 -0.483 0.045 1.00 0.00 C ATOM 1215 O GLN A 89 18.401 0.684 0.412 1.00 0.00 O ATOM 1216 CB GLN A 89 18.156 -0.768 -2.444 1.00 0.00 C ATOM 1217 CG GLN A 89 18.656 0.620 -2.824 1.00 0.00 C ATOM 1218 CD GLN A 89 17.748 1.312 -3.825 1.00 0.00 C ATOM 1219 OE1 GLN A 89 17.212 2.385 -3.553 1.00 0.00 O ATOM 1220 NE2 GLN A 89 17.564 0.694 -4.989 1.00 0.00 N ATOM 0 H GLN A 89 16.249 0.789 -1.936 1.00 0.00 H new ATOM 0 HA GLN A 89 16.964 -1.828 -1.011 1.00 0.00 H new ATOM 0 HB2 GLN A 89 19.012 -1.437 -2.352 1.00 0.00 H new ATOM 0 HB3 GLN A 89 17.537 -1.152 -3.255 1.00 0.00 H new ATOM 0 HG2 GLN A 89 18.735 1.233 -1.926 1.00 0.00 H new ATOM 0 HG3 GLN A 89 19.659 0.539 -3.244 1.00 0.00 H new ATOM 0 HE21 GLN A 89 18.028 -0.195 -5.173 1.00 0.00 H new ATOM 0 HE22 GLN A 89 16.959 1.110 -5.697 1.00 0.00 H new ATOM 1229 N THR A 90 18.831 -1.519 0.644 1.00 0.00 N ATOM 1230 CA THR A 90 19.707 -1.346 1.798 1.00 0.00 C ATOM 1231 C THR A 90 20.955 -2.222 1.677 1.00 0.00 C ATOM 1232 O THR A 90 21.004 -3.328 2.223 1.00 0.00 O ATOM 1233 CB THR A 90 18.952 -1.681 3.090 1.00 0.00 C ATOM 1234 OG1 THR A 90 17.565 -1.410 2.956 1.00 0.00 O ATOM 1235 CG2 THR A 90 19.454 -0.911 4.291 1.00 0.00 C ATOM 0 H THR A 90 18.712 -2.488 0.348 1.00 0.00 H new ATOM 0 HA THR A 90 20.024 -0.304 1.829 1.00 0.00 H new ATOM 0 HB THR A 90 19.129 -2.744 3.255 1.00 0.00 H new ATOM 0 HG1 THR A 90 17.106 -1.633 3.792 1.00 0.00 H new ATOM 0 HG21 THR A 90 18.878 -1.195 5.172 1.00 0.00 H new ATOM 0 HG22 THR A 90 20.507 -1.141 4.456 1.00 0.00 H new ATOM 0 HG23 THR A 90 19.340 0.158 4.111 1.00 0.00 H new ATOM 1243 N GLY A 91 21.961 -1.721 0.961 1.00 0.00 N ATOM 1244 CA GLY A 91 23.197 -2.468 0.783 1.00 0.00 C ATOM 1245 C GLY A 91 23.057 -3.619 -0.200 1.00 0.00 C ATOM 1246 O GLY A 91 22.170 -3.610 -1.056 1.00 0.00 O ATOM 0 H GLY A 91 21.942 -0.811 0.501 1.00 0.00 H new ATOM 0 HA2 GLY A 91 23.977 -1.792 0.434 1.00 0.00 H new ATOM 0 HA3 GLY A 91 23.522 -2.858 1.748 1.00 0.00 H new ATOM 1250 N GLY A 92 23.939 -4.612 -0.073 1.00 0.00 N ATOM 1251 CA GLY A 92 23.904 -5.767 -0.955 1.00 0.00 C ATOM 1252 C GLY A 92 24.497 -7.008 -0.313 1.00 0.00 C ATOM 1253 O GLY A 92 25.577 -6.902 0.307 1.00 0.00 O ATOM 0 H GLY A 92 24.679 -4.635 0.628 1.00 0.00 H new ATOM 0 HA2 GLY A 92 22.872 -5.969 -1.243 1.00 0.00 H new ATOM 0 HA3 GLY A 92 24.451 -5.538 -1.869 1.00 0.00 H new TER 1257 GLY A 92