USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 683 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 Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 150:sc= 0.19 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.143 X(o=-0.14,f=-0.29) USER MOD Single : A 17 SER OG : rot 136:sc= 0.914 USER MOD Single : A 18 ASN : amide:sc= -0.0141 K(o=-0.014,f=-1.2) USER MOD Single : A 21 CYS SG : rot 180:sc= -0.295 USER MOD Single : A 22 GLN : amide:sc= 1.51 K(o=1.5,f=-9.1!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.642 USER MOD Single : A 31 THR OG1 : rot -76:sc= 0.924 USER MOD Single : A 32 GLN : amide:sc= 0.907 K(o=0.91,f=-0.023) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 83:sc= 1.26 USER MOD Single : A 46 HIS : no HD1:sc= -0.115 K(o=-0.12,f=-1.8!) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= -0.0864 X(o=-0.086,f=-0.14) USER MOD Single : A 59 SER OG : rot 95:sc= 1.22 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 0:sc= 0.876 USER MOD Single : A 67 CYS SG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HD1:sc= -0.156 X(o=-0.16,f=-0.4) USER MOD Single : A 79 HIS : no HE2:sc= 0.992 K(o=0.99,f=-3.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 3 8.839 -15.394 -3.459 1.00 0.00 N ATOM 2 CA LYS A 3 7.655 -15.353 -2.610 1.00 0.00 C ATOM 3 C LYS A 3 7.014 -13.971 -2.626 1.00 0.00 C ATOM 4 O LYS A 3 5.816 -13.829 -2.377 1.00 0.00 O ATOM 5 CB LYS A 3 8.010 -15.751 -1.177 1.00 0.00 C ATOM 6 CG LYS A 3 8.469 -17.195 -1.020 1.00 0.00 C ATOM 7 CD LYS A 3 8.773 -17.525 0.434 1.00 0.00 C ATOM 8 CE LYS A 3 9.218 -18.972 0.592 1.00 0.00 C ATOM 9 NZ LYS A 3 9.517 -19.309 2.010 1.00 0.00 N ATOM 0 HA LYS A 3 6.934 -16.068 -3.008 1.00 0.00 H new ATOM 0 HB2 LYS A 3 8.798 -15.091 -0.814 1.00 0.00 H new ATOM 0 HB3 LYS A 3 7.140 -15.588 -0.541 1.00 0.00 H new ATOM 0 HG2 LYS A 3 7.696 -17.867 -1.393 1.00 0.00 H new ATOM 0 HG3 LYS A 3 9.359 -17.364 -1.627 1.00 0.00 H new ATOM 0 HD2 LYS A 3 9.553 -16.860 0.804 1.00 0.00 H new ATOM 0 HD3 LYS A 3 7.886 -17.347 1.043 1.00 0.00 H new ATOM 0 HE2 LYS A 3 8.437 -19.635 0.218 1.00 0.00 H new ATOM 0 HE3 LYS A 3 10.104 -19.148 -0.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 9.816 -20.303 2.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 10.279 -18.694 2.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 8.664 -19.166 2.588 1.00 0.00 H new ATOM 23 N ALA A 4 7.818 -12.955 -2.918 1.00 0.00 N ATOM 24 CA ALA A 4 7.336 -11.579 -2.944 1.00 0.00 C ATOM 25 C ALA A 4 6.312 -11.375 -4.052 1.00 0.00 C ATOM 26 O ALA A 4 5.458 -10.491 -3.967 1.00 0.00 O ATOM 27 CB ALA A 4 8.500 -10.612 -3.109 1.00 0.00 C ATOM 0 H ALA A 4 8.808 -13.059 -3.140 1.00 0.00 H new ATOM 0 HA ALA A 4 6.845 -11.376 -1.992 1.00 0.00 H new ATOM 0 HB1 ALA A 4 8.124 -9.589 -3.127 1.00 0.00 H new ATOM 0 HB2 ALA A 4 9.192 -10.730 -2.275 1.00 0.00 H new ATOM 0 HB3 ALA A 4 9.019 -10.824 -4.044 1.00 0.00 H new ATOM 33 N LYS A 5 6.400 -12.199 -5.092 1.00 0.00 N ATOM 34 CA LYS A 5 5.452 -12.138 -6.198 1.00 0.00 C ATOM 35 C LYS A 5 4.074 -12.628 -5.771 1.00 0.00 C ATOM 36 O LYS A 5 3.063 -12.268 -6.372 1.00 0.00 O ATOM 37 CB LYS A 5 5.959 -12.965 -7.381 1.00 0.00 C ATOM 38 CG LYS A 5 7.183 -12.382 -8.076 1.00 0.00 C ATOM 39 CD LYS A 5 7.637 -13.265 -9.229 1.00 0.00 C ATOM 40 CE LYS A 5 8.849 -12.674 -9.936 1.00 0.00 C ATOM 41 NZ LYS A 5 9.316 -13.537 -11.054 1.00 0.00 N ATOM 0 H LYS A 5 7.118 -12.916 -5.191 1.00 0.00 H new ATOM 0 HA LYS A 5 5.363 -11.096 -6.504 1.00 0.00 H new ATOM 0 HB2 LYS A 5 6.199 -13.969 -7.031 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.155 -13.065 -8.110 1.00 0.00 H new ATOM 0 HG2 LYS A 5 6.951 -11.384 -8.449 1.00 0.00 H new ATOM 0 HG3 LYS A 5 7.995 -12.273 -7.357 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.881 -14.259 -8.854 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.821 -13.385 -9.941 1.00 0.00 H new ATOM 0 HE2 LYS A 5 8.598 -11.686 -10.321 1.00 0.00 H new ATOM 0 HE3 LYS A 5 9.658 -12.541 -9.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 10.142 -13.099 -11.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 9.580 -14.472 -10.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 8.553 -13.644 -11.752 1.00 0.00 H new ATOM 55 N LEU A 6 4.042 -13.450 -4.727 1.00 0.00 N ATOM 56 CA LEU A 6 2.792 -14.028 -4.246 1.00 0.00 C ATOM 57 C LEU A 6 2.244 -13.243 -3.061 1.00 0.00 C ATOM 58 O LEU A 6 1.031 -13.152 -2.873 1.00 0.00 O ATOM 59 CB LEU A 6 3.001 -15.498 -3.861 1.00 0.00 C ATOM 60 CG LEU A 6 3.460 -16.413 -5.005 1.00 0.00 C ATOM 61 CD1 LEU A 6 3.724 -17.816 -4.476 1.00 0.00 C ATOM 62 CD2 LEU A 6 2.397 -16.437 -6.093 1.00 0.00 C ATOM 0 H LEU A 6 4.867 -13.731 -4.198 1.00 0.00 H new ATOM 0 HA LEU A 6 2.061 -13.974 -5.053 1.00 0.00 H new ATOM 0 HB2 LEU A 6 3.739 -15.546 -3.060 1.00 0.00 H new ATOM 0 HB3 LEU A 6 2.067 -15.888 -3.458 1.00 0.00 H new ATOM 0 HG LEU A 6 4.388 -16.029 -5.430 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.049 -18.458 -5.294 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.502 -17.777 -3.714 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.810 -18.219 -4.040 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.723 -17.087 -6.905 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.462 -16.814 -5.680 1.00 0.00 H new ATOM 0 HD23 LEU A 6 2.244 -15.428 -6.475 1.00 0.00 H new ATOM 74 N SER A 7 3.144 -12.677 -2.265 1.00 0.00 N ATOM 75 CA SER A 7 2.751 -11.888 -1.103 1.00 0.00 C ATOM 76 C SER A 7 2.201 -10.531 -1.519 1.00 0.00 C ATOM 77 O SER A 7 2.899 -9.732 -2.145 1.00 0.00 O ATOM 78 CB SER A 7 3.932 -11.715 -0.167 1.00 0.00 C ATOM 79 OG SER A 7 3.681 -10.760 0.827 1.00 0.00 O ATOM 0 H SER A 7 4.152 -12.750 -2.403 1.00 0.00 H new ATOM 0 HA SER A 7 1.959 -12.424 -0.580 1.00 0.00 H new ATOM 0 HB2 SER A 7 4.167 -12.671 0.301 1.00 0.00 H new ATOM 0 HB3 SER A 7 4.809 -11.418 -0.742 1.00 0.00 H new ATOM 0 HG SER A 7 4.182 -10.991 1.637 1.00 0.00 H new ATOM 85 N LEU A 8 0.946 -10.274 -1.169 1.00 0.00 N ATOM 86 CA LEU A 8 0.324 -8.983 -1.437 1.00 0.00 C ATOM 87 C LEU A 8 0.986 -7.874 -0.628 1.00 0.00 C ATOM 88 O LEU A 8 1.108 -6.742 -1.093 1.00 0.00 O ATOM 89 CB LEU A 8 -1.179 -9.044 -1.130 1.00 0.00 C ATOM 90 CG LEU A 8 -1.994 -9.967 -2.042 1.00 0.00 C ATOM 91 CD1 LEU A 8 -3.428 -10.064 -1.539 1.00 0.00 C ATOM 92 CD2 LEU A 8 -1.957 -9.437 -3.467 1.00 0.00 C ATOM 0 H LEU A 8 0.338 -10.944 -0.698 1.00 0.00 H new ATOM 0 HA LEU A 8 0.460 -8.755 -2.494 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.310 -9.371 -0.098 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.589 -8.036 -1.200 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.560 -10.967 -2.029 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.999 -10.722 -2.194 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -3.432 -10.467 -0.526 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -3.881 -9.072 -1.537 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.537 -10.094 -4.115 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.383 -8.434 -3.493 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.925 -9.402 -3.816 1.00 0.00 H new ATOM 104 N THR A 9 1.411 -8.209 0.586 1.00 0.00 N ATOM 105 CA THR A 9 2.128 -7.263 1.434 1.00 0.00 C ATOM 106 C THR A 9 3.428 -6.814 0.781 1.00 0.00 C ATOM 107 O THR A 9 3.736 -5.623 0.743 1.00 0.00 O ATOM 108 CB THR A 9 2.440 -7.866 2.815 1.00 0.00 C ATOM 109 OG1 THR A 9 1.215 -8.202 3.481 1.00 0.00 O ATOM 110 CG2 THR A 9 3.218 -6.875 3.667 1.00 0.00 C ATOM 0 H THR A 9 1.271 -9.129 1.005 1.00 0.00 H new ATOM 0 HA THR A 9 1.474 -6.401 1.564 1.00 0.00 H new ATOM 0 HB THR A 9 3.044 -8.762 2.674 1.00 0.00 H new ATOM 0 HG1 THR A 9 1.415 -8.587 4.359 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.429 -7.319 4.640 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.156 -6.626 3.170 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.627 -5.969 3.802 1.00 0.00 H new ATOM 118 N GLN A 10 4.189 -7.774 0.269 1.00 0.00 N ATOM 119 CA GLN A 10 5.447 -7.477 -0.407 1.00 0.00 C ATOM 120 C GLN A 10 5.215 -6.645 -1.661 1.00 0.00 C ATOM 121 O GLN A 10 5.914 -5.661 -1.904 1.00 0.00 O ATOM 122 CB GLN A 10 6.177 -8.772 -0.773 1.00 0.00 C ATOM 123 CG GLN A 10 6.735 -9.531 0.418 1.00 0.00 C ATOM 124 CD GLN A 10 7.775 -8.730 1.179 1.00 0.00 C ATOM 125 OE1 GLN A 10 8.670 -8.123 0.583 1.00 0.00 O ATOM 126 NE2 GLN A 10 7.667 -8.728 2.502 1.00 0.00 N ATOM 0 H GLN A 10 3.957 -8.766 0.309 1.00 0.00 H new ATOM 0 HA GLN A 10 6.065 -6.899 0.281 1.00 0.00 H new ATOM 0 HB2 GLN A 10 5.490 -9.422 -1.314 1.00 0.00 H new ATOM 0 HB3 GLN A 10 6.995 -8.535 -1.454 1.00 0.00 H new ATOM 0 HG2 GLN A 10 5.920 -9.795 1.091 1.00 0.00 H new ATOM 0 HG3 GLN A 10 7.180 -10.465 0.074 1.00 0.00 H new ATOM 0 HE21 GLN A 10 6.911 -9.244 2.953 1.00 0.00 H new ATOM 0 HE22 GLN A 10 8.340 -8.211 3.068 1.00 0.00 H new ATOM 135 N LEU A 11 4.229 -7.046 -2.456 1.00 0.00 N ATOM 136 CA LEU A 11 3.923 -6.355 -3.705 1.00 0.00 C ATOM 137 C LEU A 11 3.607 -4.886 -3.458 1.00 0.00 C ATOM 138 O LEU A 11 4.083 -4.010 -4.180 1.00 0.00 O ATOM 139 CB LEU A 11 2.749 -7.041 -4.414 1.00 0.00 C ATOM 140 CG LEU A 11 3.065 -8.414 -5.023 1.00 0.00 C ATOM 141 CD1 LEU A 11 1.784 -9.079 -5.506 1.00 0.00 C ATOM 142 CD2 LEU A 11 4.051 -8.247 -6.170 1.00 0.00 C ATOM 0 H LEU A 11 3.628 -7.846 -2.258 1.00 0.00 H new ATOM 0 HA LEU A 11 4.803 -6.406 -4.346 1.00 0.00 H new ATOM 0 HB2 LEU A 11 1.933 -7.157 -3.701 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.390 -6.384 -5.206 1.00 0.00 H new ATOM 0 HG LEU A 11 3.515 -9.053 -4.263 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.019 -10.052 -5.936 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.102 -9.209 -4.665 1.00 0.00 H new ATOM 0 HD13 LEU A 11 1.312 -8.452 -6.263 1.00 0.00 H new ATOM 0 HD21 LEU A 11 4.275 -9.222 -6.602 1.00 0.00 H new ATOM 0 HD22 LEU A 11 3.615 -7.603 -6.934 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.970 -7.796 -5.797 1.00 0.00 H new ATOM 154 N ILE A 12 2.802 -4.622 -2.433 1.00 0.00 N ATOM 155 CA ILE A 12 2.467 -3.254 -2.056 1.00 0.00 C ATOM 156 C ILE A 12 3.720 -2.446 -1.744 1.00 0.00 C ATOM 157 O ILE A 12 3.875 -1.317 -2.211 1.00 0.00 O ATOM 158 CB ILE A 12 1.528 -3.219 -0.837 1.00 0.00 C ATOM 159 CG1 ILE A 12 0.142 -3.746 -1.216 1.00 0.00 C ATOM 160 CG2 ILE A 12 1.431 -1.808 -0.280 1.00 0.00 C ATOM 161 CD1 ILE A 12 -0.749 -4.032 -0.028 1.00 0.00 C ATOM 0 H ILE A 12 2.370 -5.338 -1.849 1.00 0.00 H new ATOM 0 HA ILE A 12 1.956 -2.809 -2.910 1.00 0.00 H new ATOM 0 HB ILE A 12 1.941 -3.865 -0.062 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.350 -3.017 -1.860 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.258 -4.659 -1.799 1.00 0.00 H new ATOM 0 HG21 ILE A 12 0.763 -1.802 0.581 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.421 -1.469 0.026 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.040 -1.140 -1.047 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.713 -4.402 -0.377 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.280 -4.784 0.606 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.897 -3.116 0.544 1.00 0.00 H new ATOM 173 N LEU A 13 4.612 -3.030 -0.950 1.00 0.00 N ATOM 174 CA LEU A 13 5.799 -2.324 -0.483 1.00 0.00 C ATOM 175 C LEU A 13 6.811 -2.144 -1.607 1.00 0.00 C ATOM 176 O LEU A 13 7.580 -1.182 -1.614 1.00 0.00 O ATOM 177 CB LEU A 13 6.436 -3.077 0.692 1.00 0.00 C ATOM 178 CG LEU A 13 5.582 -3.143 1.965 1.00 0.00 C ATOM 179 CD1 LEU A 13 6.277 -3.995 3.016 1.00 0.00 C ATOM 180 CD2 LEU A 13 5.338 -1.734 2.486 1.00 0.00 C ATOM 0 H LEU A 13 4.535 -3.991 -0.617 1.00 0.00 H new ATOM 0 HA LEU A 13 5.492 -1.334 -0.145 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.661 -4.094 0.372 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.386 -2.602 0.935 1.00 0.00 H new ATOM 0 HG LEU A 13 4.621 -3.603 1.736 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.663 -4.036 3.916 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.421 -5.004 2.629 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.245 -3.557 3.257 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.731 -1.780 3.390 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.293 -1.260 2.713 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.815 -1.151 1.728 1.00 0.00 H new ATOM 192 N ILE A 14 6.805 -3.073 -2.557 1.00 0.00 N ATOM 193 CA ILE A 14 7.693 -2.995 -3.711 1.00 0.00 C ATOM 194 C ILE A 14 7.362 -1.788 -4.580 1.00 0.00 C ATOM 195 O ILE A 14 8.239 -0.993 -4.914 1.00 0.00 O ATOM 196 CB ILE A 14 7.616 -4.271 -4.570 1.00 0.00 C ATOM 197 CG1 ILE A 14 8.253 -5.451 -3.831 1.00 0.00 C ATOM 198 CG2 ILE A 14 8.296 -4.049 -5.913 1.00 0.00 C ATOM 199 CD1 ILE A 14 7.916 -6.798 -4.428 1.00 0.00 C ATOM 0 H ILE A 14 6.194 -3.890 -2.550 1.00 0.00 H new ATOM 0 HA ILE A 14 8.706 -2.891 -3.322 1.00 0.00 H new ATOM 0 HB ILE A 14 6.567 -4.505 -4.751 1.00 0.00 H new ATOM 0 HG12 ILE A 14 9.336 -5.325 -3.830 1.00 0.00 H new ATOM 0 HG13 ILE A 14 7.929 -5.434 -2.790 1.00 0.00 H new ATOM 0 HG21 ILE A 14 8.233 -4.960 -6.508 1.00 0.00 H new ATOM 0 HG22 ILE A 14 7.800 -3.235 -6.442 1.00 0.00 H new ATOM 0 HG23 ILE A 14 9.343 -3.792 -5.753 1.00 0.00 H new ATOM 0 HD11 ILE A 14 8.403 -7.584 -3.851 1.00 0.00 H new ATOM 0 HD12 ILE A 14 6.836 -6.947 -4.405 1.00 0.00 H new ATOM 0 HD13 ILE A 14 8.265 -6.836 -5.460 1.00 0.00 H new ATOM 211 N ARG A 15 6.090 -1.658 -4.943 1.00 0.00 N ATOM 212 CA ARG A 15 5.644 -0.559 -5.790 1.00 0.00 C ATOM 213 C ARG A 15 5.806 0.782 -5.084 1.00 0.00 C ATOM 214 O ARG A 15 6.207 1.772 -5.695 1.00 0.00 O ATOM 215 CB ARG A 15 4.221 -0.758 -6.288 1.00 0.00 C ATOM 216 CG ARG A 15 3.734 0.292 -7.273 1.00 0.00 C ATOM 217 CD ARG A 15 2.351 0.073 -7.769 1.00 0.00 C ATOM 218 NE ARG A 15 1.887 1.069 -8.721 1.00 0.00 N ATOM 219 CZ ARG A 15 1.897 0.912 -10.059 1.00 0.00 C ATOM 220 NH1 ARG A 15 2.378 -0.180 -10.610 1.00 0.00 N ATOM 221 NH2 ARG A 15 1.430 1.898 -10.807 1.00 0.00 N ATOM 0 H ARG A 15 5.350 -2.301 -4.663 1.00 0.00 H new ATOM 0 HA ARG A 15 6.287 -0.553 -6.670 1.00 0.00 H new ATOM 0 HB2 ARG A 15 4.151 -1.738 -6.760 1.00 0.00 H new ATOM 0 HB3 ARG A 15 3.549 -0.769 -5.429 1.00 0.00 H new ATOM 0 HG2 ARG A 15 3.785 1.271 -6.797 1.00 0.00 H new ATOM 0 HG3 ARG A 15 4.413 0.316 -8.125 1.00 0.00 H new ATOM 0 HD2 ARG A 15 2.298 -0.910 -8.236 1.00 0.00 H new ATOM 0 HD3 ARG A 15 1.671 0.059 -6.917 1.00 0.00 H new ATOM 0 HE ARG A 15 1.529 1.949 -8.350 1.00 0.00 H new ATOM 0 HH11 ARG A 15 2.752 -0.926 -10.023 1.00 0.00 H new ATOM 0 HH12 ARG A 15 2.378 -0.282 -11.625 1.00 0.00 H new ATOM 0 HH21 ARG A 15 1.076 2.748 -10.368 1.00 0.00 H new ATOM 0 HH22 ARG A 15 1.424 1.809 -11.823 1.00 0.00 H new ATOM 235 N LEU A 16 5.490 0.806 -3.794 1.00 0.00 N ATOM 236 CA LEU A 16 5.534 2.040 -3.018 1.00 0.00 C ATOM 237 C LEU A 16 6.971 2.479 -2.764 1.00 0.00 C ATOM 238 O LEU A 16 7.248 3.670 -2.612 1.00 0.00 O ATOM 239 CB LEU A 16 4.790 1.857 -1.689 1.00 0.00 C ATOM 240 CG LEU A 16 3.270 1.692 -1.809 1.00 0.00 C ATOM 241 CD1 LEU A 16 2.655 1.501 -0.428 1.00 0.00 C ATOM 242 CD2 LEU A 16 2.679 2.913 -2.498 1.00 0.00 C ATOM 0 H LEU A 16 5.200 -0.015 -3.263 1.00 0.00 H new ATOM 0 HA LEU A 16 5.040 2.821 -3.596 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.195 0.982 -1.182 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.997 2.718 -1.054 1.00 0.00 H new ATOM 0 HG LEU A 16 3.046 0.809 -2.407 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.575 1.385 -0.523 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.076 0.610 0.038 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.873 2.371 0.191 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.599 2.795 -2.583 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.902 3.805 -1.912 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.112 3.015 -3.493 1.00 0.00 H new ATOM 254 N SER A 17 7.881 1.514 -2.720 1.00 0.00 N ATOM 255 CA SER A 17 9.301 1.805 -2.560 1.00 0.00 C ATOM 256 C SER A 17 9.864 2.497 -3.795 1.00 0.00 C ATOM 257 O SER A 17 10.634 3.451 -3.687 1.00 0.00 O ATOM 258 CB SER A 17 10.067 0.528 -2.274 1.00 0.00 C ATOM 259 OG SER A 17 11.445 0.755 -2.161 1.00 0.00 O ATOM 0 H SER A 17 7.661 0.521 -2.793 1.00 0.00 H new ATOM 0 HA SER A 17 9.415 2.484 -1.715 1.00 0.00 H new ATOM 0 HB2 SER A 17 9.696 0.082 -1.351 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.883 -0.191 -3.072 1.00 0.00 H new ATOM 0 HG SER A 17 11.795 0.267 -1.387 1.00 0.00 H new ATOM 265 N ASN A 18 9.475 2.010 -4.969 1.00 0.00 N ATOM 266 CA ASN A 18 9.994 2.535 -6.225 1.00 0.00 C ATOM 267 C ASN A 18 9.320 3.852 -6.592 1.00 0.00 C ATOM 268 O ASN A 18 9.969 4.779 -7.077 1.00 0.00 O ATOM 269 CB ASN A 18 9.836 1.533 -7.354 1.00 0.00 C ATOM 270 CG ASN A 18 10.753 0.347 -7.242 1.00 0.00 C ATOM 271 OD1 ASN A 18 11.791 0.400 -6.573 1.00 0.00 O ATOM 272 ND2 ASN A 18 10.417 -0.696 -7.958 1.00 0.00 N ATOM 0 H ASN A 18 8.801 1.252 -5.076 1.00 0.00 H new ATOM 0 HA ASN A 18 11.058 2.720 -6.080 1.00 0.00 H new ATOM 0 HB2 ASN A 18 8.804 1.183 -7.375 1.00 0.00 H new ATOM 0 HB3 ASN A 18 10.021 2.036 -8.303 1.00 0.00 H new ATOM 0 HD21 ASN A 18 11.024 -1.516 -7.981 1.00 0.00 H new ATOM 0 HD22 ASN A 18 9.548 -0.689 -8.493 1.00 0.00 H new ATOM 279 N ARG A 19 8.013 3.927 -6.359 1.00 0.00 N ATOM 280 CA ARG A 19 7.216 5.054 -6.823 1.00 0.00 C ATOM 281 C ARG A 19 6.964 6.052 -5.701 1.00 0.00 C ATOM 282 O ARG A 19 6.527 7.177 -5.943 1.00 0.00 O ATOM 283 CB ARG A 19 5.915 4.608 -7.475 1.00 0.00 C ATOM 284 CG ARG A 19 6.083 3.826 -8.768 1.00 0.00 C ATOM 285 CD ARG A 19 4.810 3.339 -9.358 1.00 0.00 C ATOM 286 NE ARG A 19 4.970 2.546 -10.566 1.00 0.00 N ATOM 287 CZ ARG A 19 5.107 3.060 -11.805 1.00 0.00 C ATOM 288 NH1 ARG A 19 5.068 4.358 -12.009 1.00 0.00 N ATOM 289 NH2 ARG A 19 5.261 2.221 -12.814 1.00 0.00 N ATOM 0 H ARG A 19 7.484 3.218 -5.851 1.00 0.00 H new ATOM 0 HA ARG A 19 7.797 5.560 -7.594 1.00 0.00 H new ATOM 0 HB2 ARG A 19 5.362 3.993 -6.765 1.00 0.00 H new ATOM 0 HB3 ARG A 19 5.306 5.489 -7.677 1.00 0.00 H new ATOM 0 HG2 ARG A 19 6.590 4.458 -9.498 1.00 0.00 H new ATOM 0 HG3 ARG A 19 6.733 2.971 -8.580 1.00 0.00 H new ATOM 0 HD2 ARG A 19 4.284 2.741 -8.613 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.177 4.197 -9.583 1.00 0.00 H new ATOM 0 HE ARG A 19 4.979 1.531 -10.470 1.00 0.00 H new ATOM 0 HH11 ARG A 19 4.932 4.994 -11.223 1.00 0.00 H new ATOM 0 HH12 ARG A 19 5.173 4.729 -12.953 1.00 0.00 H new ATOM 0 HH21 ARG A 19 5.274 1.215 -12.644 1.00 0.00 H new ATOM 0 HH22 ARG A 19 5.367 2.579 -13.763 1.00 0.00 H new ATOM 303 N GLY A 20 7.242 5.633 -4.470 1.00 0.00 N ATOM 304 CA GLY A 20 7.123 6.514 -3.316 1.00 0.00 C ATOM 305 C GLY A 20 5.720 6.461 -2.725 1.00 0.00 C ATOM 306 O GLY A 20 5.539 6.111 -1.558 1.00 0.00 O ATOM 0 H GLY A 20 7.552 4.687 -4.247 1.00 0.00 H new ATOM 0 HA2 GLY A 20 7.851 6.225 -2.558 1.00 0.00 H new ATOM 0 HA3 GLY A 20 7.358 7.537 -3.610 1.00 0.00 H new ATOM 310 N CYS A 21 4.729 6.811 -3.537 1.00 0.00 N ATOM 311 CA CYS A 21 3.339 6.818 -3.092 1.00 0.00 C ATOM 312 C CYS A 21 2.389 6.523 -4.246 1.00 0.00 C ATOM 313 O CYS A 21 2.504 7.109 -5.322 1.00 0.00 O ATOM 314 CB CYS A 21 3.153 8.252 -2.593 1.00 0.00 C ATOM 315 SG CYS A 21 1.491 8.622 -1.982 1.00 0.00 S ATOM 0 H CYS A 21 4.862 7.094 -4.508 1.00 0.00 H new ATOM 0 HA CYS A 21 3.127 6.061 -2.338 1.00 0.00 H new ATOM 0 HB2 CYS A 21 3.871 8.442 -1.795 1.00 0.00 H new ATOM 0 HB3 CYS A 21 3.390 8.940 -3.405 1.00 0.00 H new ATOM 0 HG CYS A 21 1.441 9.858 -1.583 1.00 0.00 H new ATOM 321 N GLN A 22 1.451 5.613 -4.013 1.00 0.00 N ATOM 322 CA GLN A 22 0.484 5.231 -5.035 1.00 0.00 C ATOM 323 C GLN A 22 -0.933 5.210 -4.476 1.00 0.00 C ATOM 324 O GLN A 22 -1.129 5.130 -3.263 1.00 0.00 O ATOM 325 CB GLN A 22 0.832 3.856 -5.615 1.00 0.00 C ATOM 326 CG GLN A 22 2.068 3.846 -6.494 1.00 0.00 C ATOM 327 CD GLN A 22 1.836 4.524 -7.831 1.00 0.00 C ATOM 328 OE1 GLN A 22 1.505 3.873 -8.824 1.00 0.00 O ATOM 329 NE2 GLN A 22 2.013 5.840 -7.865 1.00 0.00 N ATOM 0 H GLN A 22 1.339 5.125 -3.124 1.00 0.00 H new ATOM 0 HA GLN A 22 0.530 5.978 -5.828 1.00 0.00 H new ATOM 0 HB2 GLN A 22 0.978 3.154 -4.794 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -0.016 3.494 -6.196 1.00 0.00 H new ATOM 0 HG2 GLN A 22 2.884 4.347 -5.973 1.00 0.00 H new ATOM 0 HG3 GLN A 22 2.382 2.816 -6.662 1.00 0.00 H new ATOM 0 HE21 GLN A 22 2.287 6.340 -7.019 1.00 0.00 H new ATOM 0 HE22 GLN A 22 1.875 6.351 -8.737 1.00 0.00 H new ATOM 338 N THR A 23 -1.916 5.282 -5.366 1.00 0.00 N ATOM 339 CA THR A 23 -3.317 5.228 -4.965 1.00 0.00 C ATOM 340 C THR A 23 -3.747 3.800 -4.654 1.00 0.00 C ATOM 341 O THR A 23 -3.073 2.843 -5.034 1.00 0.00 O ATOM 342 CB THR A 23 -4.240 5.804 -6.055 1.00 0.00 C ATOM 343 OG1 THR A 23 -4.206 4.957 -7.211 1.00 0.00 O ATOM 344 CG2 THR A 23 -3.793 7.205 -6.447 1.00 0.00 C ATOM 0 H THR A 23 -1.769 5.378 -6.371 1.00 0.00 H new ATOM 0 HA THR A 23 -3.408 5.836 -4.065 1.00 0.00 H new ATOM 0 HB THR A 23 -5.255 5.853 -5.661 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.795 5.324 -7.903 1.00 0.00 H new ATOM 0 HG21 THR A 23 -4.457 7.596 -7.218 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.828 7.856 -5.573 1.00 0.00 H new ATOM 0 HG23 THR A 23 -2.773 7.168 -6.831 1.00 0.00 H new ATOM 352 N LEU A 24 -4.871 3.664 -3.960 1.00 0.00 N ATOM 353 CA LEU A 24 -5.483 2.358 -3.739 1.00 0.00 C ATOM 354 C LEU A 24 -5.742 1.642 -5.058 1.00 0.00 C ATOM 355 O LEU A 24 -5.544 0.432 -5.167 1.00 0.00 O ATOM 356 CB LEU A 24 -6.788 2.512 -2.950 1.00 0.00 C ATOM 357 CG LEU A 24 -7.526 1.200 -2.646 1.00 0.00 C ATOM 358 CD1 LEU A 24 -6.646 0.292 -1.798 1.00 0.00 C ATOM 359 CD2 LEU A 24 -8.833 1.506 -1.931 1.00 0.00 C ATOM 0 H LEU A 24 -5.378 4.443 -3.540 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.788 1.751 -3.159 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.567 3.013 -2.007 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.457 3.166 -3.509 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.750 0.683 -3.579 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.177 -0.636 -1.587 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.726 0.069 -2.338 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.404 0.792 -0.860 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.357 0.575 -1.715 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.623 2.029 -0.998 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.457 2.134 -2.567 1.00 0.00 H new ATOM 371 N GLU A 25 -6.183 2.396 -6.059 1.00 0.00 N ATOM 372 CA GLU A 25 -6.490 1.830 -7.367 1.00 0.00 C ATOM 373 C GLU A 25 -5.226 1.349 -8.069 1.00 0.00 C ATOM 374 O GLU A 25 -5.210 0.276 -8.671 1.00 0.00 O ATOM 375 CB GLU A 25 -7.216 2.856 -8.238 1.00 0.00 C ATOM 376 CG GLU A 25 -7.629 2.340 -9.609 1.00 0.00 C ATOM 377 CD GLU A 25 -8.377 3.387 -10.386 1.00 0.00 C ATOM 378 OE1 GLU A 25 -8.572 4.460 -9.866 1.00 0.00 O ATOM 379 OE2 GLU A 25 -8.654 3.158 -11.539 1.00 0.00 O ATOM 0 H GLU A 25 -6.336 3.402 -5.989 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.143 0.971 -7.213 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.106 3.198 -7.709 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -6.570 3.724 -8.370 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -6.744 2.034 -10.166 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.254 1.455 -9.493 1.00 0.00 H new ATOM 386 N GLU A 26 -4.170 2.151 -7.988 1.00 0.00 N ATOM 387 CA GLU A 26 -2.899 1.806 -8.614 1.00 0.00 C ATOM 388 C GLU A 26 -2.260 0.602 -7.937 1.00 0.00 C ATOM 389 O GLU A 26 -1.631 -0.231 -8.592 1.00 0.00 O ATOM 390 CB GLU A 26 -1.942 3.000 -8.575 1.00 0.00 C ATOM 391 CG GLU A 26 -2.286 4.115 -9.553 1.00 0.00 C ATOM 392 CD GLU A 26 -1.574 5.391 -9.199 1.00 0.00 C ATOM 393 OE1 GLU A 26 -1.026 5.466 -8.126 1.00 0.00 O ATOM 394 OE2 GLU A 26 -1.482 6.249 -10.045 1.00 0.00 O ATOM 0 H GLU A 26 -4.169 3.044 -7.495 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.099 1.545 -9.653 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.933 3.410 -7.565 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.932 2.648 -8.785 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.013 3.812 -10.564 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.363 4.284 -9.551 1.00 0.00 H new ATOM 401 N LEU A 27 -2.422 0.512 -6.621 1.00 0.00 N ATOM 402 CA LEU A 27 -1.978 -0.656 -5.871 1.00 0.00 C ATOM 403 C LEU A 27 -2.852 -1.867 -6.170 1.00 0.00 C ATOM 404 O LEU A 27 -2.368 -2.999 -6.211 1.00 0.00 O ATOM 405 CB LEU A 27 -1.983 -0.354 -4.368 1.00 0.00 C ATOM 406 CG LEU A 27 -0.914 0.642 -3.899 1.00 0.00 C ATOM 407 CD1 LEU A 27 -1.152 1.016 -2.442 1.00 0.00 C ATOM 408 CD2 LEU A 27 0.466 0.029 -4.080 1.00 0.00 C ATOM 0 H LEU A 27 -2.859 1.236 -6.051 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.960 -0.891 -6.182 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.964 0.035 -4.095 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.848 -1.290 -3.825 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.975 1.550 -4.498 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.388 1.723 -2.118 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.136 1.473 -2.340 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.102 0.120 -1.823 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.225 0.737 -3.747 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.538 -0.885 -3.490 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.625 -0.205 -5.133 1.00 0.00 H new ATOM 420 N GLU A 28 -4.142 -1.624 -6.380 1.00 0.00 N ATOM 421 CA GLU A 28 -5.070 -2.682 -6.757 1.00 0.00 C ATOM 422 C GLU A 28 -4.638 -3.359 -8.053 1.00 0.00 C ATOM 423 O GLU A 28 -4.609 -4.586 -8.143 1.00 0.00 O ATOM 424 CB GLU A 28 -6.487 -2.125 -6.903 1.00 0.00 C ATOM 425 CG GLU A 28 -7.525 -3.151 -7.341 1.00 0.00 C ATOM 426 CD GLU A 28 -8.825 -2.491 -7.702 1.00 0.00 C ATOM 427 OE1 GLU A 28 -8.888 -1.285 -7.671 1.00 0.00 O ATOM 428 OE2 GLU A 28 -9.726 -3.184 -8.115 1.00 0.00 O ATOM 0 H GLU A 28 -4.568 -0.701 -6.295 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.063 -3.429 -5.963 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.796 -1.698 -5.949 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.471 -1.310 -7.627 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.148 -3.710 -8.197 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.690 -3.870 -6.539 1.00 0.00 H new ATOM 435 N GLU A 29 -4.304 -2.550 -9.053 1.00 0.00 N ATOM 436 CA GLU A 29 -3.951 -3.067 -10.370 1.00 0.00 C ATOM 437 C GLU A 29 -2.623 -3.812 -10.333 1.00 0.00 C ATOM 438 O GLU A 29 -2.458 -4.840 -10.989 1.00 0.00 O ATOM 439 CB GLU A 29 -3.887 -1.930 -11.392 1.00 0.00 C ATOM 440 CG GLU A 29 -5.236 -1.317 -11.736 1.00 0.00 C ATOM 441 CD GLU A 29 -5.082 -0.132 -12.647 1.00 0.00 C ATOM 442 OE1 GLU A 29 -3.967 0.223 -12.947 1.00 0.00 O ATOM 443 OE2 GLU A 29 -6.077 0.351 -13.137 1.00 0.00 O ATOM 0 H GLU A 29 -4.270 -1.533 -8.976 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.728 -3.771 -10.670 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -3.234 -1.147 -11.006 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -3.428 -2.306 -12.307 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -5.867 -2.066 -12.214 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -5.743 -1.011 -10.821 1.00 0.00 H new ATOM 450 N PHE A 30 -1.678 -3.288 -9.559 1.00 0.00 N ATOM 451 CA PHE A 30 -0.365 -3.907 -9.427 1.00 0.00 C ATOM 452 C PHE A 30 -0.463 -5.270 -8.757 1.00 0.00 C ATOM 453 O PHE A 30 0.171 -6.233 -9.188 1.00 0.00 O ATOM 454 CB PHE A 30 0.578 -2.997 -8.637 1.00 0.00 C ATOM 455 CG PHE A 30 1.971 -3.542 -8.501 1.00 0.00 C ATOM 456 CD1 PHE A 30 2.877 -3.441 -9.546 1.00 0.00 C ATOM 457 CD2 PHE A 30 2.379 -4.157 -7.326 1.00 0.00 C ATOM 458 CE1 PHE A 30 4.160 -3.942 -9.421 1.00 0.00 C ATOM 459 CE2 PHE A 30 3.661 -4.658 -7.199 1.00 0.00 C ATOM 460 CZ PHE A 30 4.551 -4.550 -8.247 1.00 0.00 C ATOM 0 H PHE A 30 -1.798 -2.435 -9.013 1.00 0.00 H new ATOM 0 HA PHE A 30 0.039 -4.050 -10.429 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.624 -2.024 -9.127 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.163 -2.834 -7.643 1.00 0.00 H new ATOM 0 HD1 PHE A 30 2.577 -2.966 -10.468 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.687 -4.245 -6.501 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.855 -3.857 -10.243 1.00 0.00 H new ATOM 0 HE2 PHE A 30 3.966 -5.134 -6.279 1.00 0.00 H new ATOM 0 HZ PHE A 30 5.553 -4.941 -8.148 1.00 0.00 H new ATOM 470 N THR A 31 -1.262 -5.346 -7.697 1.00 0.00 N ATOM 471 CA THR A 31 -1.349 -6.556 -6.888 1.00 0.00 C ATOM 472 C THR A 31 -2.425 -7.497 -7.420 1.00 0.00 C ATOM 473 O THR A 31 -2.454 -8.678 -7.076 1.00 0.00 O ATOM 474 CB THR A 31 -1.652 -6.231 -5.414 1.00 0.00 C ATOM 475 OG1 THR A 31 -2.926 -5.581 -5.316 1.00 0.00 O ATOM 476 CG2 THR A 31 -0.577 -5.322 -4.838 1.00 0.00 C ATOM 0 H THR A 31 -1.859 -4.583 -7.378 1.00 0.00 H new ATOM 0 HA THR A 31 -0.377 -7.045 -6.950 1.00 0.00 H new ATOM 0 HB THR A 31 -1.668 -7.162 -4.848 1.00 0.00 H new ATOM 0 HG1 THR A 31 -2.842 -4.650 -5.610 1.00 0.00 H new ATOM 0 HG21 THR A 31 -0.807 -5.102 -3.795 1.00 0.00 H new ATOM 0 HG22 THR A 31 0.391 -5.819 -4.899 1.00 0.00 H new ATOM 0 HG23 THR A 31 -0.544 -4.392 -5.406 1.00 0.00 H new ATOM 484 N GLN A 32 -3.304 -6.965 -8.260 1.00 0.00 N ATOM 485 CA GLN A 32 -4.427 -7.735 -8.782 1.00 0.00 C ATOM 486 C GLN A 32 -5.184 -8.435 -7.660 1.00 0.00 C ATOM 487 O GLN A 32 -5.309 -9.660 -7.651 1.00 0.00 O ATOM 488 CB GLN A 32 -3.939 -8.771 -9.800 1.00 0.00 C ATOM 489 CG GLN A 32 -3.437 -8.175 -11.103 1.00 0.00 C ATOM 490 CD GLN A 32 -4.562 -7.651 -11.973 1.00 0.00 C ATOM 491 OE1 GLN A 32 -5.473 -8.394 -12.348 1.00 0.00 O ATOM 492 NE2 GLN A 32 -4.505 -6.366 -12.305 1.00 0.00 N ATOM 0 H GLN A 32 -3.261 -6.002 -8.595 1.00 0.00 H new ATOM 0 HA GLN A 32 -5.105 -7.039 -9.275 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -3.138 -9.357 -9.349 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -4.754 -9.460 -10.019 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -2.743 -7.363 -10.884 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -2.879 -8.932 -11.654 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -3.734 -5.787 -11.973 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -5.233 -5.958 -12.892 1.00 0.00 H new ATOM 501 N ALA A 33 -5.689 -7.649 -6.715 1.00 0.00 N ATOM 502 CA ALA A 33 -6.384 -8.195 -5.556 1.00 0.00 C ATOM 503 C ALA A 33 -7.567 -7.321 -5.162 1.00 0.00 C ATOM 504 O ALA A 33 -7.651 -6.158 -5.555 1.00 0.00 O ATOM 505 CB ALA A 33 -5.422 -8.351 -4.386 1.00 0.00 C ATOM 0 H ALA A 33 -5.630 -6.631 -6.730 1.00 0.00 H new ATOM 0 HA ALA A 33 -6.769 -9.178 -5.826 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.956 -8.760 -3.528 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -4.614 -9.027 -4.667 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.006 -7.378 -4.125 1.00 0.00 H new ATOM 511 N LYS A 34 -8.482 -7.889 -4.382 1.00 0.00 N ATOM 512 CA LYS A 34 -9.654 -7.156 -3.918 1.00 0.00 C ATOM 513 C LYS A 34 -9.270 -6.090 -2.900 1.00 0.00 C ATOM 514 O LYS A 34 -8.343 -6.274 -2.112 1.00 0.00 O ATOM 515 CB LYS A 34 -10.680 -8.116 -3.312 1.00 0.00 C ATOM 516 CG LYS A 34 -11.324 -9.064 -4.315 1.00 0.00 C ATOM 517 CD LYS A 34 -12.361 -9.954 -3.648 1.00 0.00 C ATOM 518 CE LYS A 34 -12.995 -10.912 -4.646 1.00 0.00 C ATOM 519 NZ LYS A 34 -14.030 -11.773 -4.012 1.00 0.00 N ATOM 0 H LYS A 34 -8.434 -8.855 -4.058 1.00 0.00 H new ATOM 0 HA LYS A 34 -10.099 -6.659 -4.780 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -10.193 -8.705 -2.535 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -11.463 -7.533 -2.827 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.795 -8.488 -5.112 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -10.556 -9.682 -4.779 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.892 -10.521 -2.844 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -13.135 -9.336 -3.193 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -13.445 -10.343 -5.459 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -12.221 -11.540 -5.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -14.436 -12.410 -4.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -13.596 -12.336 -3.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -14.782 -11.175 -3.613 1.00 0.00 H new ATOM 533 N ARG A 35 -9.990 -4.973 -2.921 1.00 0.00 N ATOM 534 CA ARG A 35 -9.726 -3.874 -2.000 1.00 0.00 C ATOM 535 C ARG A 35 -10.037 -4.274 -0.563 1.00 0.00 C ATOM 536 O ARG A 35 -9.406 -3.790 0.376 1.00 0.00 O ATOM 537 CB ARG A 35 -10.464 -2.604 -2.396 1.00 0.00 C ATOM 538 CG ARG A 35 -9.977 -1.957 -3.683 1.00 0.00 C ATOM 539 CD ARG A 35 -10.811 -0.821 -4.151 1.00 0.00 C ATOM 540 NE ARG A 35 -10.490 -0.348 -5.489 1.00 0.00 N ATOM 541 CZ ARG A 35 -11.120 0.667 -6.113 1.00 0.00 C ATOM 542 NH1 ARG A 35 -12.126 1.292 -5.544 1.00 0.00 N ATOM 543 NH2 ARG A 35 -10.714 1.001 -7.325 1.00 0.00 N ATOM 0 H ARG A 35 -10.762 -4.805 -3.567 1.00 0.00 H new ATOM 0 HA ARG A 35 -8.661 -3.652 -2.063 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -11.524 -2.835 -2.501 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -10.374 -1.881 -1.586 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -8.956 -1.606 -3.535 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -9.943 -2.714 -4.466 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -11.858 -1.122 -4.127 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -10.701 0.007 -3.451 1.00 0.00 H new ATOM 0 HE ARG A 35 -9.735 -0.817 -5.990 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -12.442 1.011 -4.616 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -12.591 2.058 -6.031 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -9.944 0.495 -7.762 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -11.171 1.765 -7.823 1.00 0.00 H new ATOM 557 N GLU A 36 -11.012 -5.161 -0.399 1.00 0.00 N ATOM 558 CA GLU A 36 -11.361 -5.682 0.917 1.00 0.00 C ATOM 559 C GLU A 36 -10.188 -6.428 1.543 1.00 0.00 C ATOM 560 O GLU A 36 -10.037 -6.457 2.764 1.00 0.00 O ATOM 561 CB GLU A 36 -12.578 -6.603 0.824 1.00 0.00 C ATOM 562 CG GLU A 36 -13.886 -5.887 0.517 1.00 0.00 C ATOM 563 CD GLU A 36 -15.015 -6.863 0.338 1.00 0.00 C ATOM 564 OE1 GLU A 36 -14.767 -8.045 0.390 1.00 0.00 O ATOM 565 OE2 GLU A 36 -16.141 -6.431 0.259 1.00 0.00 O ATOM 0 H GLU A 36 -11.576 -5.535 -1.163 1.00 0.00 H new ATOM 0 HA GLU A 36 -11.607 -4.834 1.556 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -12.396 -7.349 0.050 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -12.685 -7.141 1.766 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -14.124 -5.197 1.327 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -13.772 -5.290 -0.388 1.00 0.00 H new ATOM 572 N VAL A 37 -9.358 -7.031 0.697 1.00 0.00 N ATOM 573 CA VAL A 37 -8.169 -7.733 1.162 1.00 0.00 C ATOM 574 C VAL A 37 -6.995 -6.776 1.331 1.00 0.00 C ATOM 575 O VAL A 37 -6.282 -6.826 2.333 1.00 0.00 O ATOM 576 CB VAL A 37 -7.763 -8.859 0.193 1.00 0.00 C ATOM 577 CG1 VAL A 37 -6.461 -9.505 0.641 1.00 0.00 C ATOM 578 CG2 VAL A 37 -8.866 -9.902 0.096 1.00 0.00 C ATOM 0 H VAL A 37 -9.488 -7.047 -0.315 1.00 0.00 H new ATOM 0 HA VAL A 37 -8.420 -8.170 2.128 1.00 0.00 H new ATOM 0 HB VAL A 37 -7.611 -8.424 -0.795 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -6.190 -10.298 -0.056 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.671 -8.755 0.662 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.588 -9.926 1.638 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -8.562 -10.690 -0.593 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.048 -10.332 1.081 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -9.779 -9.433 -0.270 1.00 0.00 H new ATOM 588 N LEU A 38 -6.800 -5.906 0.347 1.00 0.00 N ATOM 589 CA LEU A 38 -5.640 -5.022 0.324 1.00 0.00 C ATOM 590 C LEU A 38 -5.699 -4.006 1.458 1.00 0.00 C ATOM 591 O LEU A 38 -4.677 -3.664 2.051 1.00 0.00 O ATOM 592 CB LEU A 38 -5.546 -4.307 -1.030 1.00 0.00 C ATOM 593 CG LEU A 38 -5.202 -5.208 -2.222 1.00 0.00 C ATOM 594 CD1 LEU A 38 -5.354 -4.433 -3.523 1.00 0.00 C ATOM 595 CD2 LEU A 38 -3.782 -5.732 -2.070 1.00 0.00 C ATOM 0 H LEU A 38 -7.431 -5.794 -0.447 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.747 -5.631 0.466 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.498 -3.815 -1.230 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.791 -3.524 -0.958 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.888 -6.055 -2.247 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.107 -5.081 -4.364 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.383 -4.086 -3.622 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.681 -3.576 -3.517 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.538 -6.372 -2.918 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.086 -4.893 -2.037 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.703 -6.306 -1.147 1.00 0.00 H new ATOM 607 N LEU A 39 -6.903 -3.526 1.753 1.00 0.00 N ATOM 608 CA LEU A 39 -7.088 -2.495 2.767 1.00 0.00 C ATOM 609 C LEU A 39 -6.735 -3.017 4.154 1.00 0.00 C ATOM 610 O LEU A 39 -6.300 -2.259 5.021 1.00 0.00 O ATOM 611 CB LEU A 39 -8.533 -1.981 2.742 1.00 0.00 C ATOM 612 CG LEU A 39 -8.896 -1.110 1.533 1.00 0.00 C ATOM 613 CD1 LEU A 39 -10.394 -0.843 1.512 1.00 0.00 C ATOM 614 CD2 LEU A 39 -8.117 0.197 1.598 1.00 0.00 C ATOM 0 H LEU A 39 -7.765 -3.835 1.304 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.414 -1.670 2.538 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -9.207 -2.837 2.768 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.713 -1.406 3.651 1.00 0.00 H new ATOM 0 HG LEU A 39 -8.631 -1.633 0.615 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.641 -0.224 0.650 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -10.931 -1.789 1.445 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -10.684 -0.325 2.426 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -8.374 0.817 0.739 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.370 0.726 2.517 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.048 -0.016 1.585 1.00 0.00 H new ATOM 626 N VAL A 40 -6.924 -4.317 4.358 1.00 0.00 N ATOM 627 CA VAL A 40 -6.521 -4.965 5.600 1.00 0.00 C ATOM 628 C VAL A 40 -5.011 -4.905 5.787 1.00 0.00 C ATOM 629 O VAL A 40 -4.522 -4.525 6.851 1.00 0.00 O ATOM 630 CB VAL A 40 -6.977 -6.435 5.645 1.00 0.00 C ATOM 631 CG1 VAL A 40 -6.371 -7.145 6.846 1.00 0.00 C ATOM 632 CG2 VAL A 40 -8.495 -6.522 5.687 1.00 0.00 C ATOM 0 H VAL A 40 -7.355 -4.943 3.677 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.006 -4.420 6.410 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.628 -6.930 4.739 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -6.704 -8.183 6.862 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -5.284 -7.114 6.776 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -6.690 -6.648 7.762 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -8.799 -7.568 5.718 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -8.864 -6.010 6.576 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -8.911 -6.050 4.797 1.00 0.00 H new ATOM 642 N THR A 41 -4.275 -5.281 4.747 1.00 0.00 N ATOM 643 CA THR A 41 -2.819 -5.213 4.773 1.00 0.00 C ATOM 644 C THR A 41 -2.338 -3.771 4.872 1.00 0.00 C ATOM 645 O THR A 41 -1.405 -3.467 5.617 1.00 0.00 O ATOM 646 CB THR A 41 -2.200 -5.864 3.522 1.00 0.00 C ATOM 647 OG1 THR A 41 -2.526 -7.259 3.496 1.00 0.00 O ATOM 648 CG2 THR A 41 -0.688 -5.700 3.529 1.00 0.00 C ATOM 0 H THR A 41 -4.664 -5.637 3.874 1.00 0.00 H new ATOM 0 HA THR A 41 -2.495 -5.764 5.656 1.00 0.00 H new ATOM 0 HB THR A 41 -2.604 -5.373 2.637 1.00 0.00 H new ATOM 0 HG1 THR A 41 -2.133 -7.672 2.699 1.00 0.00 H new ATOM 0 HG21 THR A 41 -0.267 -6.166 2.638 1.00 0.00 H new ATOM 0 HG22 THR A 41 -0.437 -4.639 3.537 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.274 -6.177 4.417 1.00 0.00 H new ATOM 656 N LEU A 42 -2.979 -2.885 4.119 1.00 0.00 N ATOM 657 CA LEU A 42 -2.577 -1.483 4.072 1.00 0.00 C ATOM 658 C LEU A 42 -2.775 -0.810 5.424 1.00 0.00 C ATOM 659 O LEU A 42 -1.930 -0.032 5.870 1.00 0.00 O ATOM 660 CB LEU A 42 -3.365 -0.741 2.985 1.00 0.00 C ATOM 661 CG LEU A 42 -2.985 -1.103 1.544 1.00 0.00 C ATOM 662 CD1 LEU A 42 -4.041 -0.578 0.579 1.00 0.00 C ATOM 663 CD2 LEU A 42 -1.619 -0.520 1.216 1.00 0.00 C ATOM 0 H LEU A 42 -3.781 -3.113 3.531 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.515 -1.442 3.828 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.427 -0.943 3.126 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.223 0.331 3.123 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.937 -2.187 1.442 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.763 -0.840 -0.442 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.006 -1.024 0.818 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.110 0.506 0.670 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.350 -0.778 0.192 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.652 0.564 1.321 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.875 -0.928 1.900 1.00 0.00 H new ATOM 675 N THR A 43 -3.894 -1.110 6.071 1.00 0.00 N ATOM 676 CA THR A 43 -4.192 -0.555 7.387 1.00 0.00 C ATOM 677 C THR A 43 -3.258 -1.125 8.447 1.00 0.00 C ATOM 678 O THR A 43 -2.806 -0.407 9.340 1.00 0.00 O ATOM 679 CB THR A 43 -5.650 -0.830 7.801 1.00 0.00 C ATOM 680 OG1 THR A 43 -6.539 -0.174 6.888 1.00 0.00 O ATOM 681 CG2 THR A 43 -5.910 -0.322 9.210 1.00 0.00 C ATOM 0 H THR A 43 -4.612 -1.736 5.706 1.00 0.00 H new ATOM 0 HA THR A 43 -4.043 0.522 7.315 1.00 0.00 H new ATOM 0 HB THR A 43 -5.822 -1.906 7.778 1.00 0.00 H new ATOM 0 HG1 THR A 43 -6.657 -0.730 6.090 1.00 0.00 H new ATOM 0 HG21 THR A 43 -6.945 -0.525 9.485 1.00 0.00 H new ATOM 0 HG22 THR A 43 -5.243 -0.828 9.908 1.00 0.00 H new ATOM 0 HG23 THR A 43 -5.728 0.752 9.249 1.00 0.00 H new ATOM 689 N ARG A 44 -2.974 -2.419 8.346 1.00 0.00 N ATOM 690 CA ARG A 44 -2.077 -3.083 9.285 1.00 0.00 C ATOM 691 C ARG A 44 -0.663 -2.529 9.180 1.00 0.00 C ATOM 692 O ARG A 44 0.023 -2.355 10.188 1.00 0.00 O ATOM 693 CB ARG A 44 -2.096 -4.596 9.124 1.00 0.00 C ATOM 694 CG ARG A 44 -3.332 -5.283 9.684 1.00 0.00 C ATOM 695 CD ARG A 44 -3.365 -6.752 9.468 1.00 0.00 C ATOM 696 NE ARG A 44 -4.515 -7.421 10.056 1.00 0.00 N ATOM 697 CZ ARG A 44 -4.759 -8.743 9.969 1.00 0.00 C ATOM 698 NH1 ARG A 44 -3.959 -9.536 9.290 1.00 0.00 N ATOM 699 NH2 ARG A 44 -5.838 -9.220 10.564 1.00 0.00 N ATOM 0 H ARG A 44 -3.353 -3.030 7.622 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.446 -2.868 10.288 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.014 -4.835 8.064 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -1.215 -5.010 9.613 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -3.391 -5.083 10.754 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -4.218 -4.840 9.228 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.354 -6.950 8.396 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.456 -7.188 9.882 1.00 0.00 H new ATOM 0 HE ARG A 44 -5.184 -6.849 10.571 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.139 -9.152 8.819 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -4.158 -10.535 9.234 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -6.460 -8.591 11.072 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -6.049 -10.217 10.515 1.00 0.00 H new ATOM 713 N LEU A 45 -0.229 -2.252 7.954 1.00 0.00 N ATOM 714 CA LEU A 45 1.057 -1.607 7.724 1.00 0.00 C ATOM 715 C LEU A 45 1.067 -0.187 8.274 1.00 0.00 C ATOM 716 O LEU A 45 2.051 0.249 8.874 1.00 0.00 O ATOM 717 CB LEU A 45 1.386 -1.600 6.225 1.00 0.00 C ATOM 718 CG LEU A 45 1.709 -2.973 5.621 1.00 0.00 C ATOM 719 CD1 LEU A 45 1.818 -2.864 4.107 1.00 0.00 C ATOM 720 CD2 LEU A 45 3.005 -3.501 6.219 1.00 0.00 C ATOM 0 H LEU A 45 -0.751 -2.465 7.104 1.00 0.00 H new ATOM 0 HA LEU A 45 1.821 -2.178 8.252 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.540 -1.173 5.686 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.236 -0.939 6.059 1.00 0.00 H new ATOM 0 HG LEU A 45 0.906 -3.671 5.856 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.047 -3.843 3.687 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.872 -2.507 3.699 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.612 -2.164 3.849 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.233 -4.476 5.789 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.817 -2.808 5.998 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.895 -3.597 7.299 1.00 0.00 H new ATOM 732 N HIS A 46 -0.031 0.529 8.070 1.00 0.00 N ATOM 733 CA HIS A 46 -0.180 1.876 8.610 1.00 0.00 C ATOM 734 C HIS A 46 -0.033 1.881 10.126 1.00 0.00 C ATOM 735 O HIS A 46 0.670 2.722 10.688 1.00 0.00 O ATOM 736 CB HIS A 46 -1.534 2.471 8.214 1.00 0.00 C ATOM 737 CG HIS A 46 -1.764 3.851 8.747 1.00 0.00 C ATOM 738 ND1 HIS A 46 -1.184 4.972 8.188 1.00 0.00 N ATOM 739 CD2 HIS A 46 -2.508 4.294 9.788 1.00 0.00 C ATOM 740 CE1 HIS A 46 -1.563 6.043 8.862 1.00 0.00 C ATOM 741 NE2 HIS A 46 -2.367 5.658 9.839 1.00 0.00 N ATOM 0 H HIS A 46 -0.834 0.200 7.534 1.00 0.00 H new ATOM 0 HA HIS A 46 0.614 2.491 8.186 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -1.607 2.494 7.127 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -2.328 1.816 8.573 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -3.102 3.686 10.455 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -1.267 7.060 8.651 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -2.810 6.275 10.520 1.00 0.00 H new ATOM 749 N GLN A 47 -0.699 0.938 10.784 1.00 0.00 N ATOM 750 CA GLN A 47 -0.620 0.814 12.233 1.00 0.00 C ATOM 751 C GLN A 47 0.773 0.384 12.675 1.00 0.00 C ATOM 752 O GLN A 47 1.242 0.770 13.745 1.00 0.00 O ATOM 753 CB GLN A 47 -1.657 -0.191 12.742 1.00 0.00 C ATOM 754 CG GLN A 47 -3.092 0.297 12.656 1.00 0.00 C ATOM 755 CD GLN A 47 -4.090 -0.764 13.079 1.00 0.00 C ATOM 756 OE1 GLN A 47 -3.718 -1.894 13.403 1.00 0.00 O ATOM 757 NE2 GLN A 47 -5.369 -0.406 13.074 1.00 0.00 N ATOM 0 H GLN A 47 -1.300 0.248 10.335 1.00 0.00 H new ATOM 0 HA GLN A 47 -0.830 1.794 12.661 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.564 -1.114 12.169 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -1.430 -0.436 13.780 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -3.212 1.177 13.288 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -3.307 0.607 11.633 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -5.633 0.540 12.799 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -6.088 -1.077 13.345 1.00 0.00 H new ATOM 766 N ARG A 48 1.431 -0.419 11.843 1.00 0.00 N ATOM 767 CA ARG A 48 2.795 -0.853 12.117 1.00 0.00 C ATOM 768 C ARG A 48 3.777 0.306 11.993 1.00 0.00 C ATOM 769 O ARG A 48 4.854 0.285 12.588 1.00 0.00 O ATOM 770 CB ARG A 48 3.209 -2.028 11.244 1.00 0.00 C ATOM 771 CG ARG A 48 2.601 -3.364 11.642 1.00 0.00 C ATOM 772 CD ARG A 48 2.750 -4.433 10.620 1.00 0.00 C ATOM 773 NE ARG A 48 4.127 -4.771 10.300 1.00 0.00 N ATOM 774 CZ ARG A 48 4.496 -5.679 9.375 1.00 0.00 C ATOM 775 NH1 ARG A 48 3.599 -6.368 8.706 1.00 0.00 N ATOM 776 NH2 ARG A 48 5.787 -5.877 9.175 1.00 0.00 N ATOM 0 H ARG A 48 1.040 -0.782 10.973 1.00 0.00 H new ATOM 0 HA ARG A 48 2.819 -1.203 13.149 1.00 0.00 H new ATOM 0 HB2 ARG A 48 2.932 -1.811 10.212 1.00 0.00 H new ATOM 0 HB3 ARG A 48 4.295 -2.117 11.270 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.064 -3.698 12.570 1.00 0.00 H new ATOM 0 HG3 ARG A 48 1.540 -3.220 11.848 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.241 -5.330 10.973 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.244 -4.119 9.707 1.00 0.00 H new ATOM 0 HE ARG A 48 4.865 -4.287 10.811 1.00 0.00 H new ATOM 0 HH11 ARG A 48 2.606 -6.220 8.883 1.00 0.00 H new ATOM 0 HH12 ARG A 48 3.896 -7.051 8.009 1.00 0.00 H new ATOM 0 HH21 ARG A 48 6.473 -5.349 9.714 1.00 0.00 H new ATOM 0 HH22 ARG A 48 6.097 -6.558 8.482 1.00 0.00 H new ATOM 790 N GLY A 49 3.398 1.316 11.218 1.00 0.00 N ATOM 791 CA GLY A 49 4.265 2.463 10.975 1.00 0.00 C ATOM 792 C GLY A 49 5.135 2.246 9.745 1.00 0.00 C ATOM 793 O GLY A 49 6.182 2.874 9.594 1.00 0.00 O ATOM 0 H GLY A 49 2.495 1.364 10.747 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.658 3.359 10.841 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.898 2.634 11.846 1.00 0.00 H new ATOM 797 N VAL A 50 4.694 1.353 8.864 1.00 0.00 N ATOM 798 CA VAL A 50 5.424 1.061 7.637 1.00 0.00 C ATOM 799 C VAL A 50 5.061 2.045 6.532 1.00 0.00 C ATOM 800 O VAL A 50 5.934 2.695 5.955 1.00 0.00 O ATOM 801 CB VAL A 50 5.153 -0.372 7.144 1.00 0.00 C ATOM 802 CG1 VAL A 50 5.865 -0.625 5.825 1.00 0.00 C ATOM 803 CG2 VAL A 50 5.591 -1.387 8.188 1.00 0.00 C ATOM 0 H VAL A 50 3.833 0.819 8.978 1.00 0.00 H new ATOM 0 HA VAL A 50 6.484 1.159 7.873 1.00 0.00 H new ATOM 0 HB VAL A 50 4.081 -0.483 6.984 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.662 -1.643 5.491 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.505 0.081 5.076 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.939 -0.495 5.960 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.392 -2.394 7.822 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.658 -1.275 8.379 1.00 0.00 H new ATOM 0 HG23 VAL A 50 5.037 -1.220 9.112 1.00 0.00 H new ATOM 813 N ILE A 51 3.769 2.151 6.243 1.00 0.00 N ATOM 814 CA ILE A 51 3.277 3.128 5.278 1.00 0.00 C ATOM 815 C ILE A 51 2.362 4.147 5.944 1.00 0.00 C ATOM 816 O ILE A 51 1.932 3.960 7.083 1.00 0.00 O ATOM 817 CB ILE A 51 2.518 2.449 4.123 1.00 0.00 C ATOM 818 CG1 ILE A 51 1.278 1.725 4.652 1.00 0.00 C ATOM 819 CG2 ILE A 51 3.430 1.480 3.386 1.00 0.00 C ATOM 820 CD1 ILE A 51 0.374 1.189 3.566 1.00 0.00 C ATOM 0 H ILE A 51 3.042 1.572 6.664 1.00 0.00 H new ATOM 0 HA ILE A 51 4.152 3.639 4.875 1.00 0.00 H new ATOM 0 HB ILE A 51 2.194 3.217 3.421 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.595 0.899 5.288 1.00 0.00 H new ATOM 0 HG13 ILE A 51 0.709 2.411 5.280 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.878 1.008 2.573 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.284 2.022 2.979 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.782 0.714 4.077 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -0.482 0.689 4.019 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.026 2.013 2.943 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.926 0.478 2.952 1.00 0.00 H new ATOM 832 N TYR A 52 2.069 5.227 5.228 1.00 0.00 N ATOM 833 CA TYR A 52 1.172 6.260 5.733 1.00 0.00 C ATOM 834 C TYR A 52 0.030 6.521 4.759 1.00 0.00 C ATOM 835 O TYR A 52 0.233 6.564 3.546 1.00 0.00 O ATOM 836 CB TYR A 52 1.943 7.555 5.999 1.00 0.00 C ATOM 837 CG TYR A 52 3.019 7.423 7.052 1.00 0.00 C ATOM 838 CD1 TYR A 52 4.312 7.051 6.708 1.00 0.00 C ATOM 839 CD2 TYR A 52 2.742 7.672 8.388 1.00 0.00 C ATOM 840 CE1 TYR A 52 5.299 6.928 7.667 1.00 0.00 C ATOM 841 CE2 TYR A 52 3.721 7.553 9.354 1.00 0.00 C ATOM 842 CZ TYR A 52 4.999 7.182 8.990 1.00 0.00 C ATOM 843 OH TYR A 52 5.979 7.061 9.948 1.00 0.00 O ATOM 0 H TYR A 52 2.440 5.410 4.296 1.00 0.00 H new ATOM 0 HA TYR A 52 0.746 5.903 6.670 1.00 0.00 H new ATOM 0 HB2 TYR A 52 2.399 7.892 5.068 1.00 0.00 H new ATOM 0 HB3 TYR A 52 1.239 8.328 6.308 1.00 0.00 H new ATOM 0 HD1 TYR A 52 4.550 6.854 5.673 1.00 0.00 H new ATOM 0 HD2 TYR A 52 1.743 7.964 8.678 1.00 0.00 H new ATOM 0 HE1 TYR A 52 6.299 6.635 7.383 1.00 0.00 H new ATOM 0 HE2 TYR A 52 3.488 7.749 10.390 1.00 0.00 H new ATOM 0 HH TYR A 52 5.605 7.276 10.828 1.00 0.00 H new ATOM 853 N ARG A 53 -1.172 6.697 5.298 1.00 0.00 N ATOM 854 CA ARG A 53 -2.348 6.966 4.479 1.00 0.00 C ATOM 855 C ARG A 53 -2.552 8.462 4.283 1.00 0.00 C ATOM 856 O ARG A 53 -2.395 9.247 5.217 1.00 0.00 O ATOM 857 CB ARG A 53 -3.598 6.300 5.033 1.00 0.00 C ATOM 858 CG ARG A 53 -4.866 6.549 4.230 1.00 0.00 C ATOM 859 CD ARG A 53 -6.085 5.917 4.797 1.00 0.00 C ATOM 860 NE ARG A 53 -6.163 4.478 4.601 1.00 0.00 N ATOM 861 CZ ARG A 53 -6.046 3.564 5.584 1.00 0.00 C ATOM 862 NH1 ARG A 53 -5.807 3.931 6.824 1.00 0.00 N ATOM 863 NH2 ARG A 53 -6.152 2.287 5.264 1.00 0.00 N ATOM 0 H ARG A 53 -1.357 6.658 6.300 1.00 0.00 H new ATOM 0 HA ARG A 53 -2.165 6.524 3.500 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.425 5.225 5.088 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -3.757 6.650 6.053 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -5.030 7.624 4.156 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -4.718 6.179 3.216 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.125 6.128 5.866 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -6.963 6.381 4.347 1.00 0.00 H new ATOM 0 HE ARG A 53 -6.317 4.137 3.652 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.707 4.920 7.053 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.721 3.227 7.557 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -6.318 2.016 4.295 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -6.068 1.572 5.986 1.00 0.00 H new ATOM 877 N LYS A 54 -2.905 8.851 3.062 1.00 0.00 N ATOM 878 CA LYS A 54 -3.142 10.254 2.744 1.00 0.00 C ATOM 879 C LYS A 54 -4.521 10.454 2.126 1.00 0.00 C ATOM 880 O LYS A 54 -4.897 9.755 1.185 1.00 0.00 O ATOM 881 CB LYS A 54 -2.062 10.778 1.797 1.00 0.00 C ATOM 882 CG LYS A 54 -2.186 12.258 1.459 1.00 0.00 C ATOM 883 CD LYS A 54 -1.031 12.726 0.584 1.00 0.00 C ATOM 884 CE LYS A 54 -1.150 14.205 0.253 1.00 0.00 C ATOM 885 NZ LYS A 54 0.030 14.702 -0.504 1.00 0.00 N ATOM 0 H LYS A 54 -3.033 8.213 2.276 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.101 10.818 3.676 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.085 10.601 2.246 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.096 10.202 0.872 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.130 12.438 0.945 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -2.208 12.842 2.379 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.087 12.541 1.096 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.013 12.145 -0.338 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.054 14.374 -0.332 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.256 14.776 1.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -0.091 15.714 -0.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 0.890 14.564 0.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.117 14.175 -1.397 1.00 0.00 H new ATOM 899 N TRP A 55 -5.270 11.411 2.663 1.00 0.00 N ATOM 900 CA TRP A 55 -6.642 11.644 2.227 1.00 0.00 C ATOM 901 C TRP A 55 -6.727 12.835 1.284 1.00 0.00 C ATOM 902 O TRP A 55 -6.687 13.987 1.718 1.00 0.00 O ATOM 903 CB TRP A 55 -7.554 11.864 3.436 1.00 0.00 C ATOM 904 CG TRP A 55 -7.685 10.659 4.316 1.00 0.00 C ATOM 905 CD1 TRP A 55 -8.666 9.713 4.263 1.00 0.00 C ATOM 906 CD2 TRP A 55 -6.805 10.267 5.378 1.00 0.00 C ATOM 907 NE1 TRP A 55 -8.454 8.758 5.227 1.00 0.00 N ATOM 908 CE2 TRP A 55 -7.315 9.076 5.923 1.00 0.00 C ATOM 909 CE3 TRP A 55 -5.632 10.810 5.918 1.00 0.00 C ATOM 910 CZ2 TRP A 55 -6.702 8.421 6.980 1.00 0.00 C ATOM 911 CZ3 TRP A 55 -5.018 10.152 6.976 1.00 0.00 C ATOM 912 CH2 TRP A 55 -5.536 8.991 7.491 1.00 0.00 C ATOM 0 H TRP A 55 -4.950 12.038 3.401 1.00 0.00 H new ATOM 0 HA TRP A 55 -6.976 10.759 1.685 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -7.166 12.694 4.026 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -8.544 12.157 3.085 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -9.490 9.715 3.565 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -9.046 7.945 5.398 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -5.213 11.722 5.520 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -7.110 7.509 7.390 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -4.114 10.563 7.402 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -5.029 8.506 8.312 1.00 0.00 H new ATOM 923 N ARG A 56 -6.843 12.554 -0.009 1.00 0.00 N ATOM 924 CA ARG A 56 -7.018 13.601 -1.009 1.00 0.00 C ATOM 925 C ARG A 56 -8.482 13.754 -1.396 1.00 0.00 C ATOM 926 O ARG A 56 -9.231 12.778 -1.427 1.00 0.00 O ATOM 927 CB ARG A 56 -6.137 13.380 -2.231 1.00 0.00 C ATOM 928 CG ARG A 56 -4.642 13.456 -1.965 1.00 0.00 C ATOM 929 CD ARG A 56 -3.797 13.314 -3.179 1.00 0.00 C ATOM 930 NE ARG A 56 -3.876 14.432 -4.104 1.00 0.00 N ATOM 931 CZ ARG A 56 -3.352 14.437 -5.345 1.00 0.00 C ATOM 932 NH1 ARG A 56 -2.682 13.403 -5.801 1.00 0.00 N ATOM 933 NH2 ARG A 56 -3.511 15.521 -6.084 1.00 0.00 N ATOM 0 H ARG A 56 -6.819 11.608 -0.390 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.695 14.537 -0.553 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -6.367 12.402 -2.654 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.395 14.123 -2.986 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.417 14.411 -1.490 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.371 12.675 -1.255 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -2.759 13.187 -2.871 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.087 12.404 -3.704 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.363 15.272 -3.792 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.552 12.580 -5.213 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -2.292 13.423 -6.743 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -4.019 16.323 -5.710 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -3.126 15.556 -7.028 1.00 0.00 H new ATOM 947 N HIS A 57 -8.884 14.985 -1.693 1.00 0.00 N ATOM 948 CA HIS A 57 -10.268 15.273 -2.053 1.00 0.00 C ATOM 949 C HIS A 57 -10.341 16.214 -3.249 1.00 0.00 C ATOM 950 O HIS A 57 -9.748 17.293 -3.239 1.00 0.00 O ATOM 951 CB HIS A 57 -11.022 15.877 -0.865 1.00 0.00 C ATOM 952 CG HIS A 57 -11.009 15.014 0.358 1.00 0.00 C ATOM 953 ND1 HIS A 57 -11.872 13.951 0.527 1.00 0.00 N ATOM 954 CD2 HIS A 57 -10.242 15.057 1.472 1.00 0.00 C ATOM 955 CE1 HIS A 57 -11.633 13.376 1.693 1.00 0.00 C ATOM 956 NE2 HIS A 57 -10.649 14.028 2.286 1.00 0.00 N ATOM 0 H HIS A 57 -8.271 15.800 -1.692 1.00 0.00 H new ATOM 0 HA HIS A 57 -10.741 14.330 -2.328 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -10.583 16.844 -0.621 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -12.056 16.061 -1.158 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -9.456 15.768 1.682 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -12.154 12.519 2.093 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -10.255 13.804 3.200 1.00 0.00 H new ATOM 964 N PHE A 58 -11.070 15.798 -4.278 1.00 0.00 N ATOM 965 CA PHE A 58 -11.189 16.583 -5.501 1.00 0.00 C ATOM 966 C PHE A 58 -12.532 16.345 -6.182 1.00 0.00 C ATOM 967 O PHE A 58 -12.902 15.205 -6.463 1.00 0.00 O ATOM 968 CB PHE A 58 -10.046 16.252 -6.462 1.00 0.00 C ATOM 969 CG PHE A 58 -10.074 17.049 -7.736 1.00 0.00 C ATOM 970 CD1 PHE A 58 -9.722 18.391 -7.737 1.00 0.00 C ATOM 971 CD2 PHE A 58 -10.452 16.460 -8.932 1.00 0.00 C ATOM 972 CE1 PHE A 58 -9.747 19.125 -8.908 1.00 0.00 C ATOM 973 CE2 PHE A 58 -10.476 17.192 -10.103 1.00 0.00 C ATOM 974 CZ PHE A 58 -10.124 18.526 -10.090 1.00 0.00 C ATOM 0 H PHE A 58 -11.589 14.920 -4.290 1.00 0.00 H new ATOM 0 HA PHE A 58 -11.129 17.636 -5.228 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -9.096 16.427 -5.956 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -10.086 15.191 -6.707 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -9.426 18.867 -6.814 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -10.731 15.417 -8.949 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -9.471 20.169 -8.896 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -10.770 16.720 -11.029 1.00 0.00 H new ATOM 0 HZ PHE A 58 -10.144 19.100 -11.005 1.00 0.00 H new ATOM 984 N SER A 59 -13.256 17.428 -6.444 1.00 0.00 N ATOM 985 CA SER A 59 -14.544 17.342 -7.123 1.00 0.00 C ATOM 986 C SER A 59 -15.541 16.527 -6.309 1.00 0.00 C ATOM 987 O SER A 59 -16.452 15.911 -6.864 1.00 0.00 O ATOM 988 CB SER A 59 -14.367 16.736 -8.502 1.00 0.00 C ATOM 989 OG SER A 59 -13.529 17.511 -9.315 1.00 0.00 O ATOM 0 H SER A 59 -12.973 18.376 -6.196 1.00 0.00 H new ATOM 0 HA SER A 59 -14.942 18.351 -7.227 1.00 0.00 H new ATOM 0 HB2 SER A 59 -13.952 15.733 -8.406 1.00 0.00 H new ATOM 0 HB3 SER A 59 -15.341 16.633 -8.980 1.00 0.00 H new ATOM 0 HG SER A 59 -12.612 17.169 -9.260 1.00 0.00 H new ATOM 995 N GLY A 60 -15.365 16.527 -4.993 1.00 0.00 N ATOM 996 CA GLY A 60 -16.279 15.829 -4.096 1.00 0.00 C ATOM 997 C GLY A 60 -15.944 14.346 -4.014 1.00 0.00 C ATOM 998 O GLY A 60 -16.657 13.573 -3.373 1.00 0.00 O ATOM 0 H GLY A 60 -14.596 17.004 -4.522 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -16.226 16.272 -3.102 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -17.303 15.954 -4.447 1.00 0.00 H new ATOM 1002 N ARG A 61 -14.855 13.953 -4.666 1.00 0.00 N ATOM 1003 CA ARG A 61 -14.442 12.554 -4.694 1.00 0.00 C ATOM 1004 C ARG A 61 -13.316 12.294 -3.700 1.00 0.00 C ATOM 1005 O ARG A 61 -12.461 13.151 -3.478 1.00 0.00 O ATOM 1006 CB ARG A 61 -14.065 12.095 -6.095 1.00 0.00 C ATOM 1007 CG ARG A 61 -15.208 12.097 -7.096 1.00 0.00 C ATOM 1008 CD ARG A 61 -14.842 11.594 -8.446 1.00 0.00 C ATOM 1009 NE ARG A 61 -15.899 11.704 -9.437 1.00 0.00 N ATOM 1010 CZ ARG A 61 -15.790 11.298 -10.718 1.00 0.00 C ATOM 1011 NH1 ARG A 61 -14.667 10.793 -11.176 1.00 0.00 N ATOM 1012 NH2 ARG A 61 -16.839 11.446 -11.509 1.00 0.00 N ATOM 0 H ARG A 61 -14.242 14.584 -5.183 1.00 0.00 H new ATOM 0 HA ARG A 61 -15.303 11.959 -4.389 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -13.270 12.739 -6.471 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -13.656 11.086 -6.034 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -16.021 11.487 -6.702 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -15.590 13.114 -7.191 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -13.970 12.144 -8.801 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -14.547 10.548 -8.362 1.00 0.00 H new ATOM 0 HE ARG A 61 -16.784 12.117 -9.143 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -13.859 10.703 -10.559 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -14.603 10.491 -12.148 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -17.698 11.857 -11.145 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -16.789 11.149 -12.483 1.00 0.00 H new ATOM 1026 N LYS A 62 -13.323 11.106 -3.105 1.00 0.00 N ATOM 1027 CA LYS A 62 -12.294 10.727 -2.144 1.00 0.00 C ATOM 1028 C LYS A 62 -11.198 9.902 -2.806 1.00 0.00 C ATOM 1029 O LYS A 62 -11.478 8.951 -3.535 1.00 0.00 O ATOM 1030 CB LYS A 62 -12.911 9.944 -0.983 1.00 0.00 C ATOM 1031 CG LYS A 62 -13.858 10.757 -0.109 1.00 0.00 C ATOM 1032 CD LYS A 62 -14.457 9.904 1.000 1.00 0.00 C ATOM 1033 CE LYS A 62 -15.428 10.707 1.852 1.00 0.00 C ATOM 1034 NZ LYS A 62 -16.058 9.873 2.912 1.00 0.00 N ATOM 0 H LYS A 62 -14.030 10.389 -3.271 1.00 0.00 H new ATOM 0 HA LYS A 62 -11.845 11.642 -1.758 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -13.452 9.088 -1.385 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -12.109 9.550 -0.359 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -13.321 11.599 0.327 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -14.657 11.172 -0.723 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -14.973 9.048 0.565 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -13.659 9.509 1.629 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -14.901 11.543 2.313 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -16.204 11.132 1.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -16.713 10.457 3.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -16.582 9.090 2.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -15.320 9.488 3.535 1.00 0.00 H new ATOM 1048 N TYR A 63 -9.949 10.273 -2.547 1.00 0.00 N ATOM 1049 CA TYR A 63 -8.807 9.577 -3.131 1.00 0.00 C ATOM 1050 C TYR A 63 -7.854 9.082 -2.051 1.00 0.00 C ATOM 1051 O TYR A 63 -7.169 9.875 -1.405 1.00 0.00 O ATOM 1052 CB TYR A 63 -8.065 10.493 -4.107 1.00 0.00 C ATOM 1053 CG TYR A 63 -8.911 10.963 -5.271 1.00 0.00 C ATOM 1054 CD1 TYR A 63 -9.667 12.122 -5.179 1.00 0.00 C ATOM 1055 CD2 TYR A 63 -8.948 10.247 -6.456 1.00 0.00 C ATOM 1056 CE1 TYR A 63 -10.442 12.556 -6.236 1.00 0.00 C ATOM 1057 CE2 TYR A 63 -9.718 10.671 -7.522 1.00 0.00 C ATOM 1058 CZ TYR A 63 -10.464 11.826 -7.409 1.00 0.00 C ATOM 1059 OH TYR A 63 -11.232 12.254 -8.467 1.00 0.00 O ATOM 0 H TYR A 63 -9.701 11.052 -1.937 1.00 0.00 H new ATOM 0 HA TYR A 63 -9.185 8.711 -3.675 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -7.696 11.363 -3.564 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -7.193 9.965 -4.494 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -9.649 12.695 -4.264 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -8.365 9.342 -6.548 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -11.027 13.460 -6.147 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -9.736 10.101 -8.439 1.00 0.00 H new ATOM 0 HH TYR A 63 -11.135 11.629 -9.216 1.00 0.00 H new ATOM 1069 N ARG A 64 -7.813 7.768 -1.862 1.00 0.00 N ATOM 1070 CA ARG A 64 -6.926 7.163 -0.876 1.00 0.00 C ATOM 1071 C ARG A 64 -5.544 6.905 -1.462 1.00 0.00 C ATOM 1072 O ARG A 64 -5.394 6.124 -2.402 1.00 0.00 O ATOM 1073 CB ARG A 64 -7.519 5.899 -0.269 1.00 0.00 C ATOM 1074 CG ARG A 64 -8.808 6.106 0.507 1.00 0.00 C ATOM 1075 CD ARG A 64 -9.430 4.854 1.009 1.00 0.00 C ATOM 1076 NE ARG A 64 -10.684 5.046 1.720 1.00 0.00 N ATOM 1077 CZ ARG A 64 -11.489 4.047 2.133 1.00 0.00 C ATOM 1078 NH1 ARG A 64 -11.199 2.792 1.875 1.00 0.00 N ATOM 1079 NH2 ARG A 64 -12.595 4.366 2.783 1.00 0.00 N ATOM 0 H ARG A 64 -8.385 7.100 -2.380 1.00 0.00 H new ATOM 0 HA ARG A 64 -6.815 7.880 -0.063 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -7.705 5.182 -1.069 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.780 5.451 0.395 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -8.607 6.762 1.354 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -9.524 6.622 -0.133 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -9.604 4.186 0.165 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -8.724 4.353 1.672 1.00 0.00 H new ATOM 0 HE ARG A 64 -10.974 6.003 1.920 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -10.353 2.561 1.354 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -11.820 2.049 2.195 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -12.819 5.345 2.959 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -13.225 3.633 3.108 1.00 0.00 H new ATOM 1093 N GLU A 65 -4.538 7.567 -0.903 1.00 0.00 N ATOM 1094 CA GLU A 65 -3.153 7.336 -1.302 1.00 0.00 C ATOM 1095 C GLU A 65 -2.350 6.714 -0.169 1.00 0.00 C ATOM 1096 O GLU A 65 -2.635 6.944 1.007 1.00 0.00 O ATOM 1097 CB GLU A 65 -2.502 8.645 -1.752 1.00 0.00 C ATOM 1098 CG GLU A 65 -3.050 9.204 -3.059 1.00 0.00 C ATOM 1099 CD GLU A 65 -2.236 10.373 -3.538 1.00 0.00 C ATOM 1100 OE1 GLU A 65 -1.352 10.788 -2.826 1.00 0.00 O ATOM 1101 OE2 GLU A 65 -2.421 10.782 -4.660 1.00 0.00 O ATOM 0 H GLU A 65 -4.654 8.268 -0.172 1.00 0.00 H new ATOM 0 HA GLU A 65 -3.158 6.637 -2.138 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.635 9.391 -0.968 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -1.429 8.484 -1.861 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -3.050 8.423 -3.819 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -4.086 9.513 -2.919 1.00 0.00 H new ATOM 1108 N TYR A 66 -1.341 5.926 -0.527 1.00 0.00 N ATOM 1109 CA TYR A 66 -0.461 5.312 0.458 1.00 0.00 C ATOM 1110 C TYR A 66 1.004 5.529 0.101 1.00 0.00 C ATOM 1111 O TYR A 66 1.420 5.276 -1.031 1.00 0.00 O ATOM 1112 CB TYR A 66 -0.754 3.815 0.581 1.00 0.00 C ATOM 1113 CG TYR A 66 -2.155 3.503 1.058 1.00 0.00 C ATOM 1114 CD1 TYR A 66 -3.203 3.374 0.157 1.00 0.00 C ATOM 1115 CD2 TYR A 66 -2.426 3.335 2.407 1.00 0.00 C ATOM 1116 CE1 TYR A 66 -4.486 3.089 0.587 1.00 0.00 C ATOM 1117 CE2 TYR A 66 -3.703 3.049 2.850 1.00 0.00 C ATOM 1118 CZ TYR A 66 -4.730 2.927 1.936 1.00 0.00 C ATOM 1119 OH TYR A 66 -6.004 2.641 2.370 1.00 0.00 O ATOM 0 H TYR A 66 -1.113 5.698 -1.495 1.00 0.00 H new ATOM 0 HA TYR A 66 -0.653 5.791 1.418 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -0.597 3.343 -0.389 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -0.038 3.370 1.272 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -3.013 3.498 -0.899 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -1.624 3.429 3.125 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -5.291 2.994 -0.127 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -3.896 2.922 3.905 1.00 0.00 H new ATOM 0 HH TYR A 66 -6.608 2.587 1.600 1.00 0.00 H new ATOM 1129 N CYS A 67 1.782 5.999 1.068 1.00 0.00 N ATOM 1130 CA CYS A 67 3.196 6.277 0.850 1.00 0.00 C ATOM 1131 C CYS A 67 4.072 5.433 1.765 1.00 0.00 C ATOM 1132 O CYS A 67 3.772 5.266 2.948 1.00 0.00 O ATOM 1133 CB CYS A 67 3.308 7.759 1.212 1.00 0.00 C ATOM 1134 SG CYS A 67 4.984 8.433 1.096 1.00 0.00 S ATOM 0 H CYS A 67 1.456 6.196 2.014 1.00 0.00 H new ATOM 0 HA CYS A 67 3.526 6.048 -0.163 1.00 0.00 H new ATOM 0 HB2 CYS A 67 2.653 8.331 0.555 1.00 0.00 H new ATOM 0 HB3 CYS A 67 2.942 7.901 2.229 1.00 0.00 H new ATOM 0 HG CYS A 67 4.969 9.692 1.420 1.00 0.00 H new ATOM 1140 N LEU A 68 5.158 4.902 1.213 1.00 0.00 N ATOM 1141 CA LEU A 68 6.104 4.110 1.989 1.00 0.00 C ATOM 1142 C LEU A 68 7.329 4.932 2.369 1.00 0.00 C ATOM 1143 O LEU A 68 8.072 5.394 1.503 1.00 0.00 O ATOM 1144 CB LEU A 68 6.522 2.862 1.202 1.00 0.00 C ATOM 1145 CG LEU A 68 7.626 2.019 1.853 1.00 0.00 C ATOM 1146 CD1 LEU A 68 7.162 1.508 3.211 1.00 0.00 C ATOM 1147 CD2 LEU A 68 7.989 0.860 0.936 1.00 0.00 C ATOM 0 H LEU A 68 5.405 5.006 0.229 1.00 0.00 H new ATOM 0 HA LEU A 68 5.610 3.799 2.909 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.644 2.232 1.057 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.859 3.172 0.213 1.00 0.00 H new ATOM 0 HG LEU A 68 8.511 2.636 2.006 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.953 0.911 3.665 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.930 2.354 3.858 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.271 0.893 3.083 1.00 0.00 H new ATOM 0 HD21 LEU A 68 8.773 0.261 1.399 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.109 0.239 0.769 1.00 0.00 H new ATOM 0 HD23 LEU A 68 8.345 1.249 -0.018 1.00 0.00 H new ATOM 1159 N LYS A 69 7.534 5.112 3.670 1.00 0.00 N ATOM 1160 CA LYS A 69 8.682 5.859 4.168 1.00 0.00 C ATOM 1161 C LYS A 69 9.569 4.986 5.045 1.00 0.00 C ATOM 1162 O LYS A 69 10.758 5.261 5.214 1.00 0.00 O ATOM 1163 CB LYS A 69 8.222 7.092 4.947 1.00 0.00 C ATOM 1164 CG LYS A 69 7.431 8.099 4.122 1.00 0.00 C ATOM 1165 CD LYS A 69 7.031 9.305 4.957 1.00 0.00 C ATOM 1166 CE LYS A 69 6.213 10.297 4.143 1.00 0.00 C ATOM 1167 NZ LYS A 69 5.811 11.481 4.949 1.00 0.00 N ATOM 0 H LYS A 69 6.919 4.750 4.399 1.00 0.00 H new ATOM 0 HA LYS A 69 9.267 6.183 3.307 1.00 0.00 H new ATOM 0 HB2 LYS A 69 7.609 6.768 5.788 1.00 0.00 H new ATOM 0 HB3 LYS A 69 9.097 7.590 5.365 1.00 0.00 H new ATOM 0 HG2 LYS A 69 8.029 8.425 3.271 1.00 0.00 H new ATOM 0 HG3 LYS A 69 6.538 7.621 3.719 1.00 0.00 H new ATOM 0 HD2 LYS A 69 6.453 8.976 5.820 1.00 0.00 H new ATOM 0 HD3 LYS A 69 7.925 9.797 5.341 1.00 0.00 H new ATOM 0 HE2 LYS A 69 6.794 10.625 3.281 1.00 0.00 H new ATOM 0 HE3 LYS A 69 5.322 9.802 3.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 5.256 12.132 4.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 5.235 11.171 5.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 6.661 11.969 5.297 1.00 0.00 H new ATOM 1181 N HIS A 70 8.986 3.930 5.603 1.00 0.00 N ATOM 1182 CA HIS A 70 9.720 3.021 6.476 1.00 0.00 C ATOM 1183 C HIS A 70 10.825 2.300 5.716 1.00 0.00 C ATOM 1184 O HIS A 70 10.613 1.818 4.603 1.00 0.00 O ATOM 1185 CB HIS A 70 8.772 2.001 7.115 1.00 0.00 C ATOM 1186 CG HIS A 70 9.446 1.074 8.078 1.00 0.00 C ATOM 1187 ND1 HIS A 70 10.018 1.512 9.254 1.00 0.00 N ATOM 1188 CD2 HIS A 70 9.640 -0.265 8.039 1.00 0.00 C ATOM 1189 CE1 HIS A 70 10.536 0.479 9.898 1.00 0.00 C ATOM 1190 NE2 HIS A 70 10.319 -0.609 9.182 1.00 0.00 N ATOM 0 H HIS A 70 8.006 3.682 5.466 1.00 0.00 H new ATOM 0 HA HIS A 70 10.179 3.618 7.264 1.00 0.00 H new ATOM 0 HB2 HIS A 70 7.976 2.534 7.634 1.00 0.00 H new ATOM 0 HB3 HIS A 70 8.301 1.413 6.327 1.00 0.00 H new ATOM 0 HD2 HIS A 70 9.321 -0.937 7.256 1.00 0.00 H new ATOM 0 HE1 HIS A 70 11.049 0.519 10.848 1.00 0.00 H new ATOM 0 HE2 HIS A 70 10.609 -1.553 9.437 1.00 0.00 H new ATOM 1198 N ARG A 71 12.005 2.228 6.323 1.00 0.00 N ATOM 1199 CA ARG A 71 13.153 1.588 5.693 1.00 0.00 C ATOM 1200 C ARG A 71 12.833 0.153 5.292 1.00 0.00 C ATOM 1201 O ARG A 71 12.291 -0.617 6.084 1.00 0.00 O ATOM 1202 CB ARG A 71 14.399 1.658 6.563 1.00 0.00 C ATOM 1203 CG ARG A 71 15.676 1.180 5.892 1.00 0.00 C ATOM 1204 CD ARG A 71 16.892 1.289 6.740 1.00 0.00 C ATOM 1205 NE ARG A 71 18.106 0.789 6.117 1.00 0.00 N ATOM 1206 CZ ARG A 71 18.909 1.514 5.315 1.00 0.00 C ATOM 1207 NH1 ARG A 71 18.612 2.756 5.003 1.00 0.00 N ATOM 1208 NH2 ARG A 71 19.993 0.935 4.828 1.00 0.00 N ATOM 0 H ARG A 71 12.191 2.606 7.252 1.00 0.00 H new ATOM 0 HA ARG A 71 13.372 2.148 4.784 1.00 0.00 H new ATOM 0 HB2 ARG A 71 14.540 2.689 6.887 1.00 0.00 H new ATOM 0 HB3 ARG A 71 14.232 1.062 7.460 1.00 0.00 H new ATOM 0 HG2 ARG A 71 15.548 0.140 5.594 1.00 0.00 H new ATOM 0 HG3 ARG A 71 15.831 1.757 4.980 1.00 0.00 H new ATOM 0 HD2 ARG A 71 17.040 2.335 7.008 1.00 0.00 H new ATOM 0 HD3 ARG A 71 16.723 0.743 7.668 1.00 0.00 H new ATOM 0 HE ARG A 71 18.368 -0.180 6.300 1.00 0.00 H new ATOM 0 HH11 ARG A 71 17.762 3.185 5.370 1.00 0.00 H new ATOM 0 HH12 ARG A 71 19.231 3.291 4.394 1.00 0.00 H new ATOM 0 HH21 ARG A 71 20.202 -0.035 5.063 1.00 0.00 H new ATOM 0 HH22 ARG A 71 20.620 1.459 4.218 1.00 0.00 H new ATOM 1222 N ASP A 72 13.171 -0.199 4.055 1.00 0.00 N ATOM 1223 CA ASP A 72 12.911 -1.539 3.544 1.00 0.00 C ATOM 1224 C ASP A 72 13.690 -2.589 4.325 1.00 0.00 C ATOM 1225 O ASP A 72 13.178 -3.671 4.609 1.00 0.00 O ATOM 1226 CB ASP A 72 13.263 -1.622 2.055 1.00 0.00 C ATOM 1227 CG ASP A 72 12.295 -0.887 1.139 1.00 0.00 C ATOM 1228 OD1 ASP A 72 11.247 -0.499 1.601 1.00 0.00 O ATOM 1229 OD2 ASP A 72 12.672 -0.581 0.032 1.00 0.00 O ATOM 0 H ASP A 72 13.625 0.426 3.389 1.00 0.00 H new ATOM 0 HA ASP A 72 11.847 -1.742 3.669 1.00 0.00 H new ATOM 0 HB2 ASP A 72 14.264 -1.216 1.907 1.00 0.00 H new ATOM 0 HB3 ASP A 72 13.298 -2.671 1.760 1.00 0.00 H new ATOM 1234 N GLU A 73 14.932 -2.263 4.668 1.00 0.00 N ATOM 1235 CA GLU A 73 15.758 -3.145 5.483 1.00 0.00 C ATOM 1236 C GLU A 73 15.081 -3.465 6.808 1.00 0.00 C ATOM 1237 O GLU A 73 15.036 -4.621 7.231 1.00 0.00 O ATOM 1238 CB GLU A 73 17.130 -2.514 5.734 1.00 0.00 C ATOM 1239 CG GLU A 73 18.085 -3.385 6.538 1.00 0.00 C ATOM 1240 CD GLU A 73 19.435 -2.736 6.670 1.00 0.00 C ATOM 1241 OE1 GLU A 73 19.621 -1.677 6.121 1.00 0.00 O ATOM 1242 OE2 GLU A 73 20.245 -3.242 7.411 1.00 0.00 O ATOM 0 H GLU A 73 15.389 -1.393 4.394 1.00 0.00 H new ATOM 0 HA GLU A 73 15.891 -4.077 4.934 1.00 0.00 H new ATOM 0 HB2 GLU A 73 17.591 -2.281 4.774 1.00 0.00 H new ATOM 0 HB3 GLU A 73 16.991 -1.568 6.258 1.00 0.00 H new ATOM 0 HG2 GLU A 73 17.668 -3.567 7.529 1.00 0.00 H new ATOM 0 HG3 GLU A 73 18.191 -4.356 6.053 1.00 0.00 H new ATOM 1249 N LEU A 74 14.551 -2.437 7.461 1.00 0.00 N ATOM 1250 CA LEU A 74 13.860 -2.610 8.734 1.00 0.00 C ATOM 1251 C LEU A 74 12.593 -3.439 8.565 1.00 0.00 C ATOM 1252 O LEU A 74 12.255 -4.256 9.421 1.00 0.00 O ATOM 1253 CB LEU A 74 13.525 -1.243 9.346 1.00 0.00 C ATOM 1254 CG LEU A 74 14.734 -0.429 9.826 1.00 0.00 C ATOM 1255 CD1 LEU A 74 14.284 0.950 10.285 1.00 0.00 C ATOM 1256 CD2 LEU A 74 15.431 -1.174 10.954 1.00 0.00 C ATOM 0 H LEU A 74 14.587 -1.473 7.129 1.00 0.00 H new ATOM 0 HA LEU A 74 14.526 -3.147 9.410 1.00 0.00 H new ATOM 0 HB2 LEU A 74 12.982 -0.655 8.606 1.00 0.00 H new ATOM 0 HB3 LEU A 74 12.852 -1.395 10.189 1.00 0.00 H new ATOM 0 HG LEU A 74 15.438 -0.301 9.004 1.00 0.00 H new ATOM 0 HD11 LEU A 74 15.149 1.521 10.624 1.00 0.00 H new ATOM 0 HD12 LEU A 74 13.807 1.472 9.455 1.00 0.00 H new ATOM 0 HD13 LEU A 74 13.573 0.847 11.105 1.00 0.00 H new ATOM 0 HD21 LEU A 74 16.290 -0.596 11.295 1.00 0.00 H new ATOM 0 HD22 LEU A 74 14.736 -1.314 11.782 1.00 0.00 H new ATOM 0 HD23 LEU A 74 15.768 -2.146 10.594 1.00 0.00 H new ATOM 1268 N ALA A 75 11.896 -3.224 7.454 1.00 0.00 N ATOM 1269 CA ALA A 75 10.698 -3.993 7.140 1.00 0.00 C ATOM 1270 C ALA A 75 11.013 -5.480 7.025 1.00 0.00 C ATOM 1271 O ALA A 75 10.242 -6.324 7.481 1.00 0.00 O ATOM 1272 CB ALA A 75 10.060 -3.482 5.856 1.00 0.00 C ATOM 0 H ALA A 75 12.141 -2.522 6.755 1.00 0.00 H new ATOM 0 HA ALA A 75 9.990 -3.862 7.958 1.00 0.00 H new ATOM 0 HB1 ALA A 75 9.167 -4.067 5.636 1.00 0.00 H new ATOM 0 HB2 ALA A 75 9.787 -2.434 5.978 1.00 0.00 H new ATOM 0 HB3 ALA A 75 10.769 -3.579 5.034 1.00 0.00 H new ATOM 1278 N ASP A 76 12.149 -5.793 6.412 1.00 0.00 N ATOM 1279 CA ASP A 76 12.586 -7.176 6.269 1.00 0.00 C ATOM 1280 C ASP A 76 12.981 -7.772 7.614 1.00 0.00 C ATOM 1281 O ASP A 76 12.766 -8.956 7.866 1.00 0.00 O ATOM 1282 CB ASP A 76 13.758 -7.270 5.287 1.00 0.00 C ATOM 1283 CG ASP A 76 13.375 -7.066 3.829 1.00 0.00 C ATOM 1284 OD1 ASP A 76 12.204 -7.090 3.533 1.00 0.00 O ATOM 1285 OD2 ASP A 76 14.237 -6.733 3.050 1.00 0.00 O ATOM 0 H ASP A 76 12.785 -5.106 6.006 1.00 0.00 H new ATOM 0 HA ASP A 76 11.747 -7.750 5.875 1.00 0.00 H new ATOM 0 HB2 ASP A 76 14.506 -6.526 5.561 1.00 0.00 H new ATOM 0 HB3 ASP A 76 14.227 -8.248 5.393 1.00 0.00 H new ATOM 1290 N LEU A 77 13.559 -6.940 8.475 1.00 0.00 N ATOM 1291 CA LEU A 77 13.976 -7.381 9.801 1.00 0.00 C ATOM 1292 C LEU A 77 12.774 -7.672 10.689 1.00 0.00 C ATOM 1293 O LEU A 77 12.842 -8.508 11.589 1.00 0.00 O ATOM 1294 CB LEU A 77 14.879 -6.325 10.452 1.00 0.00 C ATOM 1295 CG LEU A 77 16.263 -6.163 9.811 1.00 0.00 C ATOM 1296 CD1 LEU A 77 16.981 -4.964 10.414 1.00 0.00 C ATOM 1297 CD2 LEU A 77 17.070 -7.436 10.020 1.00 0.00 C ATOM 0 H LEU A 77 13.749 -5.957 8.278 1.00 0.00 H new ATOM 0 HA LEU A 77 14.540 -8.307 9.687 1.00 0.00 H new ATOM 0 HB2 LEU A 77 14.367 -5.363 10.420 1.00 0.00 H new ATOM 0 HB3 LEU A 77 15.011 -6.581 11.503 1.00 0.00 H new ATOM 0 HG LEU A 77 16.151 -5.989 8.741 1.00 0.00 H new ATOM 0 HD11 LEU A 77 17.963 -4.858 9.952 1.00 0.00 H new ATOM 0 HD12 LEU A 77 16.396 -4.062 10.235 1.00 0.00 H new ATOM 0 HD13 LEU A 77 17.099 -5.113 11.487 1.00 0.00 H new ATOM 0 HD21 LEU A 77 18.054 -7.322 9.565 1.00 0.00 H new ATOM 0 HD22 LEU A 77 17.184 -7.624 11.088 1.00 0.00 H new ATOM 0 HD23 LEU A 77 16.551 -8.276 9.557 1.00 0.00 H new ATOM 1309 N GLU A 78 11.672 -6.975 10.431 1.00 0.00 N ATOM 1310 CA GLU A 78 10.431 -7.205 11.160 1.00 0.00 C ATOM 1311 C GLU A 78 9.877 -8.596 10.881 1.00 0.00 C ATOM 1312 O GLU A 78 9.227 -9.199 11.735 1.00 0.00 O ATOM 1313 CB GLU A 78 9.391 -6.142 10.799 1.00 0.00 C ATOM 1314 CG GLU A 78 9.655 -4.771 11.406 1.00 0.00 C ATOM 1315 CD GLU A 78 8.657 -3.757 10.921 1.00 0.00 C ATOM 1316 OE1 GLU A 78 7.840 -4.102 10.102 1.00 0.00 O ATOM 1317 OE2 GLU A 78 8.637 -2.672 11.450 1.00 0.00 O ATOM 0 H GLU A 78 11.614 -6.245 9.721 1.00 0.00 H new ATOM 0 HA GLU A 78 10.653 -7.134 12.225 1.00 0.00 H new ATOM 0 HB2 GLU A 78 9.351 -6.044 9.714 1.00 0.00 H new ATOM 0 HB3 GLU A 78 8.409 -6.487 11.124 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.610 -4.838 12.493 1.00 0.00 H new ATOM 0 HG3 GLU A 78 10.663 -4.445 11.148 1.00 0.00 H new ATOM 1324 N HIS A 79 10.137 -9.099 9.679 1.00 0.00 N ATOM 1325 CA HIS A 79 9.666 -10.421 9.286 1.00 0.00 C ATOM 1326 C HIS A 79 10.779 -11.456 9.387 1.00 0.00 C ATOM 1327 O HIS A 79 11.064 -11.929 10.453 1.00 0.00 O ATOM 1328 CB HIS A 79 9.107 -10.394 7.859 1.00 0.00 C ATOM 1329 CG HIS A 79 7.850 -9.591 7.721 1.00 0.00 C ATOM 1330 ND1 HIS A 79 6.613 -10.080 8.084 1.00 0.00 N ATOM 1331 CD2 HIS A 79 7.640 -8.337 7.261 1.00 0.00 C ATOM 1332 CE1 HIS A 79 5.694 -9.158 7.853 1.00 0.00 C ATOM 1333 NE2 HIS A 79 6.291 -8.092 7.353 1.00 0.00 N ATOM 0 H HIS A 79 10.671 -8.611 8.960 1.00 0.00 H new ATOM 0 HA HIS A 79 8.869 -10.704 9.974 1.00 0.00 H new ATOM 0 HB2 HIS A 79 9.864 -9.986 7.189 1.00 0.00 H new ATOM 0 HB3 HIS A 79 8.912 -11.416 7.535 1.00 0.00 H new ATOM 0 HD1 HIS A 79 6.435 -11.007 8.470 1.00 0.00 H new ATOM 0 HD2 HIS A 79 8.392 -7.656 6.891 1.00 0.00 H new ATOM 0 HE1 HIS A 79 4.635 -9.260 8.041 1.00 0.00 H new TER 1341 HIS A 79