USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 590 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 49 GLN :FLIP amide:sc= -0.0499 F(o=-1.9,f=-0.092) USER MOD Set 1.2: A 57 ASN : amide:sc= -0.042 X(o=-0.092,f=-0.094) USER MOD Set 2.1: A 35 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 39 HIS : no HE2:sc= -7.59! C(o=-7.6!,f=-15!) USER MOD Set 3.1: A 15 HIS : no HE2:sc= -7.21! C(o=-8.6!,f=-11!) USER MOD Set 3.2: A 20 SER OG : rot 180:sc= -1.41 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 130:sc= -0.715 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.123 USER MOD Single : A 13 GLN : amide:sc= -0.362 K(o=-0.36,f=-3.4!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 43:sc= 1.28 USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 HIS : no HD1:sc= -0.0429 X(o=-0.043,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= -0.0176 USER MOD Single : A 33 THR OG1 : rot 117:sc= 1.01 USER MOD Single : A 34 LYS NZ :NH3+ -162:sc= 0.348 (180deg=0.111) USER MOD Single : A 55 THR OG1 : rot 47:sc= 0.391 USER MOD Single : A 63 HIS : no HE2:sc= -15.5! C(o=-15!,f=-20!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -65:sc= 0.967 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.454 X(o=-0.45,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 17 N LYS A 5 2.636 3.318 -8.560 1.00 0.00 N ATOM 18 CA LYS A 5 1.789 4.470 -8.823 1.00 0.00 C ATOM 19 C LYS A 5 2.015 4.944 -10.260 1.00 0.00 C ATOM 20 O LYS A 5 3.132 5.302 -10.631 1.00 0.00 O ATOM 21 CB LYS A 5 2.022 5.558 -7.773 1.00 0.00 C ATOM 22 CG LYS A 5 0.884 5.584 -6.750 1.00 0.00 C ATOM 23 CD LYS A 5 -0.190 6.597 -7.152 1.00 0.00 C ATOM 24 CE LYS A 5 -1.073 6.043 -8.272 1.00 0.00 C ATOM 25 NZ LYS A 5 -1.963 7.101 -8.801 1.00 0.00 N ATOM 0 HA LYS A 5 0.737 4.198 -8.737 1.00 0.00 H new ATOM 0 HB2 LYS A 5 2.969 5.381 -7.264 1.00 0.00 H new ATOM 0 HB3 LYS A 5 2.099 6.529 -8.261 1.00 0.00 H new ATOM 0 HG2 LYS A 5 0.441 4.592 -6.668 1.00 0.00 H new ATOM 0 HG3 LYS A 5 1.280 5.839 -5.767 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -0.805 6.843 -6.287 1.00 0.00 H new ATOM 0 HD3 LYS A 5 0.283 7.523 -7.481 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -0.449 5.650 -9.074 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -1.670 5.212 -7.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -2.556 6.709 -9.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -2.571 7.457 -8.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -1.388 7.881 -9.179 1.00 0.00 H new ATOM 39 N TYR A 6 0.937 4.932 -11.030 1.00 0.00 N ATOM 40 CA TYR A 6 1.003 5.358 -12.418 1.00 0.00 C ATOM 41 C TYR A 6 0.469 6.782 -12.581 1.00 0.00 C ATOM 42 O TYR A 6 -0.743 6.995 -12.603 1.00 0.00 O ATOM 43 CB TYR A 6 0.103 4.395 -13.196 1.00 0.00 C ATOM 44 CG TYR A 6 0.557 2.936 -13.141 1.00 0.00 C ATOM 45 CD1 TYR A 6 1.873 2.611 -13.402 1.00 0.00 C ATOM 46 CD2 TYR A 6 -0.349 1.942 -12.830 1.00 0.00 C ATOM 47 CE1 TYR A 6 2.301 1.238 -13.350 1.00 0.00 C ATOM 48 CE2 TYR A 6 0.078 0.568 -12.778 1.00 0.00 C ATOM 49 CZ TYR A 6 1.382 0.284 -13.040 1.00 0.00 C ATOM 50 OH TYR A 6 1.785 -1.014 -12.991 1.00 0.00 O ATOM 0 H TYR A 6 0.012 4.634 -10.719 1.00 0.00 H new ATOM 0 HA TYR A 6 2.033 5.349 -12.775 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -0.911 4.464 -12.802 1.00 0.00 H new ATOM 0 HB3 TYR A 6 0.063 4.713 -14.238 1.00 0.00 H new ATOM 0 HD1 TYR A 6 2.582 3.388 -13.646 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -1.379 2.195 -12.626 1.00 0.00 H new ATOM 0 HE1 TYR A 6 3.328 0.971 -13.552 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -0.621 -0.219 -12.537 1.00 0.00 H new ATOM 0 HH TYR A 6 1.023 -1.584 -12.757 1.00 0.00 H new ATOM 60 N TYR A 7 1.399 7.718 -12.692 1.00 0.00 N ATOM 61 CA TYR A 7 1.037 9.117 -12.852 1.00 0.00 C ATOM 62 C TYR A 7 0.889 9.479 -14.332 1.00 0.00 C ATOM 63 O TYR A 7 1.601 8.942 -15.180 1.00 0.00 O ATOM 64 CB TYR A 7 2.191 9.923 -12.256 1.00 0.00 C ATOM 65 CG TYR A 7 2.677 9.404 -10.900 1.00 0.00 C ATOM 66 CD1 TYR A 7 1.832 9.430 -9.810 1.00 0.00 C ATOM 67 CD2 TYR A 7 3.959 8.914 -10.768 1.00 0.00 C ATOM 68 CE1 TYR A 7 2.288 8.942 -8.534 1.00 0.00 C ATOM 69 CE2 TYR A 7 4.416 8.426 -9.492 1.00 0.00 C ATOM 70 CZ TYR A 7 3.558 8.464 -8.438 1.00 0.00 C ATOM 71 OH TYR A 7 3.989 8.005 -7.233 1.00 0.00 O ATOM 0 H TYR A 7 2.403 7.536 -12.674 1.00 0.00 H new ATOM 0 HA TYR A 7 0.086 9.325 -12.362 1.00 0.00 H new ATOM 0 HB2 TYR A 7 3.026 9.916 -12.957 1.00 0.00 H new ATOM 0 HB3 TYR A 7 1.877 10.961 -12.145 1.00 0.00 H new ATOM 0 HD1 TYR A 7 0.829 9.816 -9.913 1.00 0.00 H new ATOM 0 HD2 TYR A 7 4.621 8.896 -11.621 1.00 0.00 H new ATOM 0 HE1 TYR A 7 1.636 8.955 -7.673 1.00 0.00 H new ATOM 0 HE2 TYR A 7 5.417 8.039 -9.375 1.00 0.00 H new ATOM 0 HH TYR A 7 4.389 7.117 -7.345 1.00 0.00 H new ATOM 81 N THR A 8 -0.040 10.384 -14.597 1.00 0.00 N ATOM 82 CA THR A 8 -0.290 10.824 -15.959 1.00 0.00 C ATOM 83 C THR A 8 0.883 11.661 -16.474 1.00 0.00 C ATOM 84 O THR A 8 1.574 12.314 -15.692 1.00 0.00 O ATOM 85 CB THR A 8 -1.624 11.573 -15.977 1.00 0.00 C ATOM 86 OG1 THR A 8 -1.626 12.308 -14.756 1.00 0.00 O ATOM 87 CG2 THR A 8 -2.825 10.633 -15.848 1.00 0.00 C ATOM 0 H THR A 8 -0.630 10.825 -13.891 1.00 0.00 H new ATOM 0 HA THR A 8 -0.367 9.976 -16.640 1.00 0.00 H new ATOM 0 HB THR A 8 -1.707 12.144 -16.902 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.456 12.825 -14.687 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.746 11.215 -15.866 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.825 9.927 -16.678 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.760 10.086 -14.907 1.00 0.00 H new ATOM 95 N LEU A 9 1.072 11.613 -17.784 1.00 0.00 N ATOM 96 CA LEU A 9 2.149 12.359 -18.412 1.00 0.00 C ATOM 97 C LEU A 9 1.994 13.846 -18.084 1.00 0.00 C ATOM 98 O LEU A 9 2.924 14.627 -18.276 1.00 0.00 O ATOM 99 CB LEU A 9 2.203 12.063 -19.913 1.00 0.00 C ATOM 100 CG LEU A 9 1.514 13.082 -20.822 1.00 0.00 C ATOM 101 CD1 LEU A 9 1.967 12.915 -22.274 1.00 0.00 C ATOM 102 CD2 LEU A 9 -0.007 13.000 -20.683 1.00 0.00 C ATOM 0 H LEU A 9 0.498 11.069 -18.428 1.00 0.00 H new ATOM 0 HA LEU A 9 3.113 12.043 -18.013 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.249 11.988 -20.211 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.751 11.086 -20.087 1.00 0.00 H new ATOM 0 HG LEU A 9 1.813 14.081 -20.504 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.462 13.651 -22.900 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.045 13.062 -22.338 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.717 11.912 -22.620 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.473 13.735 -21.340 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.344 12.001 -20.959 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.290 13.206 -19.651 1.00 0.00 H new ATOM 114 N GLU A 10 0.813 14.190 -17.595 1.00 0.00 N ATOM 115 CA GLU A 10 0.523 15.569 -17.238 1.00 0.00 C ATOM 116 C GLU A 10 1.275 15.956 -15.962 1.00 0.00 C ATOM 117 O GLU A 10 1.829 17.050 -15.871 1.00 0.00 O ATOM 118 CB GLU A 10 -0.982 15.790 -17.076 1.00 0.00 C ATOM 119 CG GLU A 10 -1.442 17.024 -17.855 1.00 0.00 C ATOM 120 CD GLU A 10 -2.878 17.400 -17.487 1.00 0.00 C ATOM 121 OE1 GLU A 10 -3.685 16.461 -17.314 1.00 0.00 O ATOM 122 OE2 GLU A 10 -3.138 18.619 -17.387 1.00 0.00 O ATOM 0 H GLU A 10 0.045 13.538 -17.437 1.00 0.00 H new ATOM 0 HA GLU A 10 0.865 16.213 -18.048 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.522 14.911 -17.428 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.224 15.911 -16.020 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.777 17.861 -17.643 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.376 16.828 -18.925 1.00 0.00 H new ATOM 129 N GLU A 11 1.270 15.036 -15.009 1.00 0.00 N ATOM 130 CA GLU A 11 1.943 15.267 -13.742 1.00 0.00 C ATOM 131 C GLU A 11 3.361 15.789 -13.983 1.00 0.00 C ATOM 132 O GLU A 11 3.655 16.951 -13.705 1.00 0.00 O ATOM 133 CB GLU A 11 1.963 13.996 -12.892 1.00 0.00 C ATOM 134 CG GLU A 11 1.394 14.260 -11.496 1.00 0.00 C ATOM 135 CD GLU A 11 0.068 13.524 -11.297 1.00 0.00 C ATOM 136 OE1 GLU A 11 0.005 12.346 -11.710 1.00 0.00 O ATOM 137 OE2 GLU A 11 -0.853 14.156 -10.736 1.00 0.00 O ATOM 0 H GLU A 11 0.810 14.129 -15.089 1.00 0.00 H new ATOM 0 HA GLU A 11 1.387 16.024 -13.189 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.382 13.216 -13.384 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.985 13.627 -12.808 1.00 0.00 H new ATOM 0 HG2 GLU A 11 2.110 13.937 -10.740 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.244 15.331 -11.357 1.00 0.00 H new ATOM 144 N ILE A 12 4.203 14.904 -14.497 1.00 0.00 N ATOM 145 CA ILE A 12 5.583 15.262 -14.779 1.00 0.00 C ATOM 146 C ILE A 12 5.648 16.727 -15.215 1.00 0.00 C ATOM 147 O ILE A 12 6.410 17.512 -14.654 1.00 0.00 O ATOM 148 CB ILE A 12 6.192 14.290 -15.793 1.00 0.00 C ATOM 149 CG1 ILE A 12 5.099 13.559 -16.574 1.00 0.00 C ATOM 150 CG2 ILE A 12 7.157 13.319 -15.111 1.00 0.00 C ATOM 151 CD1 ILE A 12 4.783 12.204 -15.938 1.00 0.00 C ATOM 0 H ILE A 12 3.956 13.941 -14.725 1.00 0.00 H new ATOM 0 HA ILE A 12 6.191 15.171 -13.879 1.00 0.00 H new ATOM 0 HB ILE A 12 6.773 14.866 -16.513 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.197 14.170 -16.603 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.419 13.415 -17.606 1.00 0.00 H new ATOM 0 HG21 ILE A 12 7.575 12.640 -15.854 1.00 0.00 H new ATOM 0 HG22 ILE A 12 7.963 13.880 -14.637 1.00 0.00 H new ATOM 0 HG23 ILE A 12 6.621 12.745 -14.355 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.003 11.705 -16.513 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.681 11.586 -15.933 1.00 0.00 H new ATOM 0 HD13 ILE A 12 4.440 12.354 -14.914 1.00 0.00 H new ATOM 163 N GLN A 13 4.839 17.050 -16.213 1.00 0.00 N ATOM 164 CA GLN A 13 4.795 18.407 -16.731 1.00 0.00 C ATOM 165 C GLN A 13 4.573 19.403 -15.591 1.00 0.00 C ATOM 166 O GLN A 13 5.341 20.351 -15.433 1.00 0.00 O ATOM 167 CB GLN A 13 3.712 18.549 -17.802 1.00 0.00 C ATOM 168 CG GLN A 13 4.051 17.714 -19.038 1.00 0.00 C ATOM 169 CD GLN A 13 5.021 18.462 -19.955 1.00 0.00 C ATOM 170 OE1 GLN A 13 6.049 18.966 -19.535 1.00 0.00 O ATOM 171 NE2 GLN A 13 4.638 18.504 -21.228 1.00 0.00 N ATOM 0 H GLN A 13 4.209 16.396 -16.677 1.00 0.00 H new ATOM 0 HA GLN A 13 5.754 18.629 -17.199 1.00 0.00 H new ATOM 0 HB2 GLN A 13 2.751 18.232 -17.397 1.00 0.00 H new ATOM 0 HB3 GLN A 13 3.609 19.597 -18.084 1.00 0.00 H new ATOM 0 HG2 GLN A 13 4.493 16.766 -18.731 1.00 0.00 H new ATOM 0 HG3 GLN A 13 3.137 17.478 -19.584 1.00 0.00 H new ATOM 0 HE21 GLN A 13 3.765 18.061 -21.513 1.00 0.00 H new ATOM 0 HE22 GLN A 13 5.218 18.979 -21.920 1.00 0.00 H new ATOM 180 N LYS A 14 3.520 19.154 -14.827 1.00 0.00 N ATOM 181 CA LYS A 14 3.188 20.018 -13.706 1.00 0.00 C ATOM 182 C LYS A 14 4.421 20.188 -12.815 1.00 0.00 C ATOM 183 O LYS A 14 4.650 21.265 -12.266 1.00 0.00 O ATOM 184 CB LYS A 14 1.962 19.484 -12.962 1.00 0.00 C ATOM 185 CG LYS A 14 0.766 19.346 -13.906 1.00 0.00 C ATOM 186 CD LYS A 14 0.552 20.629 -14.711 1.00 0.00 C ATOM 187 CE LYS A 14 -0.738 20.554 -15.530 1.00 0.00 C ATOM 188 NZ LYS A 14 -1.016 21.853 -16.183 1.00 0.00 N ATOM 0 H LYS A 14 2.885 18.367 -14.962 1.00 0.00 H new ATOM 0 HA LYS A 14 2.910 21.011 -14.060 1.00 0.00 H new ATOM 0 HB2 LYS A 14 2.194 18.515 -12.519 1.00 0.00 H new ATOM 0 HB3 LYS A 14 1.708 20.156 -12.143 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.929 18.509 -14.585 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.132 19.119 -13.331 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.509 21.483 -14.036 1.00 0.00 H new ATOM 0 HD3 LYS A 14 1.400 20.791 -15.376 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.651 19.772 -16.285 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.571 20.281 -14.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.895 21.783 -16.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.120 22.591 -15.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.229 22.099 -16.816 1.00 0.00 H new ATOM 202 N HIS A 15 5.183 19.110 -12.702 1.00 0.00 N ATOM 203 CA HIS A 15 6.386 19.126 -11.888 1.00 0.00 C ATOM 204 C HIS A 15 7.566 19.619 -12.728 1.00 0.00 C ATOM 205 O HIS A 15 8.564 18.914 -12.879 1.00 0.00 O ATOM 206 CB HIS A 15 6.637 17.754 -11.262 1.00 0.00 C ATOM 207 CG HIS A 15 5.378 16.975 -10.963 1.00 0.00 C ATOM 208 ND1 HIS A 15 4.333 17.496 -10.219 1.00 0.00 N ATOM 209 CD2 HIS A 15 5.006 15.711 -11.318 1.00 0.00 C ATOM 210 CE1 HIS A 15 3.382 16.577 -10.135 1.00 0.00 C ATOM 211 NE2 HIS A 15 3.801 15.472 -10.816 1.00 0.00 N ATOM 0 H HIS A 15 4.990 18.220 -13.161 1.00 0.00 H new ATOM 0 HA HIS A 15 6.259 19.821 -11.058 1.00 0.00 H new ATOM 0 HB2 HIS A 15 7.263 17.168 -11.935 1.00 0.00 H new ATOM 0 HB3 HIS A 15 7.199 17.885 -10.337 1.00 0.00 H new ATOM 0 HD1 HIS A 15 4.301 18.428 -9.806 1.00 0.00 H new ATOM 0 HD2 HIS A 15 5.593 15.022 -11.907 1.00 0.00 H new ATOM 0 HE1 HIS A 15 2.440 16.684 -9.618 1.00 0.00 H new ATOM 219 N LYS A 16 7.415 20.826 -13.253 1.00 0.00 N ATOM 220 CA LYS A 16 8.456 21.422 -14.073 1.00 0.00 C ATOM 221 C LYS A 16 9.097 22.584 -13.312 1.00 0.00 C ATOM 222 O LYS A 16 9.537 23.560 -13.918 1.00 0.00 O ATOM 223 CB LYS A 16 7.899 21.816 -15.442 1.00 0.00 C ATOM 224 CG LYS A 16 9.018 22.286 -16.375 1.00 0.00 C ATOM 225 CD LYS A 16 9.328 21.227 -17.434 1.00 0.00 C ATOM 226 CE LYS A 16 9.836 21.875 -18.724 1.00 0.00 C ATOM 227 NZ LYS A 16 8.853 21.696 -19.816 1.00 0.00 N ATOM 0 H LYS A 16 6.587 21.408 -13.126 1.00 0.00 H new ATOM 0 HA LYS A 16 9.246 20.697 -14.272 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.383 20.965 -15.887 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.162 22.610 -15.324 1.00 0.00 H new ATOM 0 HG2 LYS A 16 8.725 23.217 -16.861 1.00 0.00 H new ATOM 0 HG3 LYS A 16 9.916 22.499 -15.794 1.00 0.00 H new ATOM 0 HD2 LYS A 16 10.077 20.533 -17.052 1.00 0.00 H new ATOM 0 HD3 LYS A 16 8.431 20.644 -17.644 1.00 0.00 H new ATOM 0 HE2 LYS A 16 10.015 22.937 -18.558 1.00 0.00 H new ATOM 0 HE3 LYS A 16 10.790 21.432 -19.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.213 22.142 -20.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.703 20.681 -19.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.951 22.140 -19.548 1.00 0.00 H new ATOM 241 N ASP A 17 9.129 22.442 -11.995 1.00 0.00 N ATOM 242 CA ASP A 17 9.709 23.467 -11.145 1.00 0.00 C ATOM 243 C ASP A 17 10.432 22.803 -9.972 1.00 0.00 C ATOM 244 O ASP A 17 10.186 21.638 -9.665 1.00 0.00 O ATOM 245 CB ASP A 17 8.627 24.386 -10.573 1.00 0.00 C ATOM 246 CG ASP A 17 8.233 25.559 -11.473 1.00 0.00 C ATOM 247 OD1 ASP A 17 7.353 25.344 -12.334 1.00 0.00 O ATOM 248 OD2 ASP A 17 8.821 26.645 -11.279 1.00 0.00 O ATOM 0 H ASP A 17 8.762 21.632 -11.496 1.00 0.00 H new ATOM 0 HA ASP A 17 10.399 24.055 -11.750 1.00 0.00 H new ATOM 0 HB2 ASP A 17 7.737 23.791 -10.367 1.00 0.00 H new ATOM 0 HB3 ASP A 17 8.974 24.781 -9.618 1.00 0.00 H new ATOM 253 N SER A 18 11.311 23.573 -9.347 1.00 0.00 N ATOM 254 CA SER A 18 12.072 23.074 -8.215 1.00 0.00 C ATOM 255 C SER A 18 11.131 22.426 -7.196 1.00 0.00 C ATOM 256 O SER A 18 11.377 21.310 -6.741 1.00 0.00 O ATOM 257 CB SER A 18 12.877 24.195 -7.554 1.00 0.00 C ATOM 258 OG SER A 18 14.085 24.470 -8.259 1.00 0.00 O ATOM 0 H SER A 18 11.513 24.539 -9.604 1.00 0.00 H new ATOM 0 HA SER A 18 12.775 22.325 -8.580 1.00 0.00 H new ATOM 0 HB2 SER A 18 12.270 25.099 -7.508 1.00 0.00 H new ATOM 0 HB3 SER A 18 13.112 23.916 -6.527 1.00 0.00 H new ATOM 0 HG SER A 18 14.570 25.192 -7.808 1.00 0.00 H new ATOM 264 N LYS A 19 10.074 23.154 -6.870 1.00 0.00 N ATOM 265 CA LYS A 19 9.094 22.664 -5.914 1.00 0.00 C ATOM 266 C LYS A 19 8.787 21.195 -6.213 1.00 0.00 C ATOM 267 O LYS A 19 8.773 20.363 -5.307 1.00 0.00 O ATOM 268 CB LYS A 19 7.856 23.562 -5.907 1.00 0.00 C ATOM 269 CG LYS A 19 7.881 24.521 -4.715 1.00 0.00 C ATOM 270 CD LYS A 19 8.213 25.945 -5.163 1.00 0.00 C ATOM 271 CE LYS A 19 8.330 26.884 -3.961 1.00 0.00 C ATOM 272 NZ LYS A 19 7.424 28.044 -4.119 1.00 0.00 N ATOM 0 H LYS A 19 9.874 24.079 -7.250 1.00 0.00 H new ATOM 0 HA LYS A 19 9.495 22.707 -4.901 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.810 24.131 -6.835 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.957 22.947 -5.865 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.913 24.510 -4.215 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.619 24.183 -3.988 1.00 0.00 H new ATOM 0 HD2 LYS A 19 9.149 25.945 -5.722 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.438 26.308 -5.838 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.084 26.345 -3.046 1.00 0.00 H new ATOM 0 HE3 LYS A 19 9.359 27.230 -3.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.516 28.671 -3.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.677 28.567 -4.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.442 27.710 -4.192 1.00 0.00 H new ATOM 286 N SER A 20 8.548 20.921 -7.487 1.00 0.00 N ATOM 287 CA SER A 20 8.242 19.567 -7.917 1.00 0.00 C ATOM 288 C SER A 20 8.978 19.253 -9.220 1.00 0.00 C ATOM 289 O SER A 20 8.530 19.636 -10.300 1.00 0.00 O ATOM 290 CB SER A 20 6.734 19.375 -8.099 1.00 0.00 C ATOM 291 OG SER A 20 6.171 20.359 -8.962 1.00 0.00 O ATOM 0 H SER A 20 8.560 21.614 -8.236 1.00 0.00 H new ATOM 0 HA SER A 20 8.578 18.878 -7.143 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.541 18.383 -8.506 1.00 0.00 H new ATOM 0 HB3 SER A 20 6.243 19.421 -7.127 1.00 0.00 H new ATOM 0 HG SER A 20 5.208 20.201 -9.054 1.00 0.00 H new ATOM 297 N THR A 21 10.098 18.557 -9.077 1.00 0.00 N ATOM 298 CA THR A 21 10.900 18.186 -10.230 1.00 0.00 C ATOM 299 C THR A 21 10.834 16.676 -10.463 1.00 0.00 C ATOM 300 O THR A 21 11.345 15.897 -9.659 1.00 0.00 O ATOM 301 CB THR A 21 12.321 18.704 -10.001 1.00 0.00 C ATOM 302 OG1 THR A 21 12.258 20.073 -10.390 1.00 0.00 O ATOM 303 CG2 THR A 21 13.333 18.087 -10.971 1.00 0.00 C ATOM 0 H THR A 21 10.468 18.241 -8.180 1.00 0.00 H new ATOM 0 HA THR A 21 10.515 18.640 -11.143 1.00 0.00 H new ATOM 0 HB THR A 21 12.624 18.491 -8.976 1.00 0.00 H new ATOM 0 HG1 THR A 21 11.437 20.476 -10.037 1.00 0.00 H new ATOM 0 HG21 THR A 21 14.325 18.488 -10.766 1.00 0.00 H new ATOM 0 HG22 THR A 21 13.346 17.005 -10.844 1.00 0.00 H new ATOM 0 HG23 THR A 21 13.049 18.328 -11.995 1.00 0.00 H new ATOM 311 N TRP A 22 10.200 16.306 -11.566 1.00 0.00 N ATOM 312 CA TRP A 22 10.061 14.903 -11.915 1.00 0.00 C ATOM 313 C TRP A 22 10.779 14.672 -13.246 1.00 0.00 C ATOM 314 O TRP A 22 11.039 15.619 -13.987 1.00 0.00 O ATOM 315 CB TRP A 22 8.588 14.491 -11.951 1.00 0.00 C ATOM 316 CG TRP A 22 8.038 14.028 -10.600 1.00 0.00 C ATOM 317 CD1 TRP A 22 8.550 14.246 -9.382 1.00 0.00 C ATOM 318 CD2 TRP A 22 6.840 13.253 -10.381 1.00 0.00 C ATOM 319 NE1 TRP A 22 7.773 13.672 -8.396 1.00 0.00 N ATOM 320 CE2 TRP A 22 6.701 13.049 -9.023 1.00 0.00 C ATOM 321 CE3 TRP A 22 5.905 12.742 -11.298 1.00 0.00 C ATOM 322 CZ2 TRP A 22 5.638 12.331 -8.461 1.00 0.00 C ATOM 323 CZ3 TRP A 22 4.850 12.027 -10.720 1.00 0.00 C ATOM 324 CH2 TRP A 22 4.695 11.812 -9.355 1.00 0.00 C ATOM 0 H TRP A 22 9.777 16.954 -12.230 1.00 0.00 H new ATOM 0 HA TRP A 22 10.522 14.270 -11.157 1.00 0.00 H new ATOM 0 HB2 TRP A 22 7.994 15.334 -12.304 1.00 0.00 H new ATOM 0 HB3 TRP A 22 8.464 13.688 -12.677 1.00 0.00 H new ATOM 0 HD1 TRP A 22 9.457 14.801 -9.195 1.00 0.00 H new ATOM 0 HE1 TRP A 22 7.953 13.700 -7.392 1.00 0.00 H new ATOM 0 HE3 TRP A 22 5.994 12.890 -12.364 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 5.551 12.186 -7.394 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 4.103 11.613 -11.381 1.00 0.00 H new ATOM 0 HH2 TRP A 22 3.851 11.247 -8.987 1.00 0.00 H new ATOM 335 N VAL A 23 11.080 13.409 -13.509 1.00 0.00 N ATOM 336 CA VAL A 23 11.764 13.042 -14.737 1.00 0.00 C ATOM 337 C VAL A 23 11.509 11.563 -15.035 1.00 0.00 C ATOM 338 O VAL A 23 11.794 10.701 -14.205 1.00 0.00 O ATOM 339 CB VAL A 23 13.251 13.384 -14.630 1.00 0.00 C ATOM 340 CG1 VAL A 23 13.912 12.607 -13.490 1.00 0.00 C ATOM 341 CG2 VAL A 23 13.969 13.127 -15.957 1.00 0.00 C ATOM 0 H VAL A 23 10.863 12.626 -12.892 1.00 0.00 H new ATOM 0 HA VAL A 23 11.373 13.615 -15.578 1.00 0.00 H new ATOM 0 HB VAL A 23 13.335 14.447 -14.403 1.00 0.00 H new ATOM 0 HG11 VAL A 23 14.969 12.869 -13.436 1.00 0.00 H new ATOM 0 HG12 VAL A 23 13.427 12.861 -12.548 1.00 0.00 H new ATOM 0 HG13 VAL A 23 13.812 11.537 -13.673 1.00 0.00 H new ATOM 0 HG21 VAL A 23 15.025 13.378 -15.854 1.00 0.00 H new ATOM 0 HG22 VAL A 23 13.871 12.075 -16.226 1.00 0.00 H new ATOM 0 HG23 VAL A 23 13.524 13.744 -16.737 1.00 0.00 H new ATOM 351 N ILE A 24 10.977 11.315 -16.222 1.00 0.00 N ATOM 352 CA ILE A 24 10.681 9.955 -16.640 1.00 0.00 C ATOM 353 C ILE A 24 11.990 9.218 -16.926 1.00 0.00 C ATOM 354 O ILE A 24 12.682 9.527 -17.896 1.00 0.00 O ATOM 355 CB ILE A 24 9.706 9.957 -17.819 1.00 0.00 C ATOM 356 CG1 ILE A 24 8.410 10.688 -17.459 1.00 0.00 C ATOM 357 CG2 ILE A 24 9.441 8.533 -18.314 1.00 0.00 C ATOM 358 CD1 ILE A 24 7.704 11.202 -18.714 1.00 0.00 C ATOM 0 H ILE A 24 10.743 12.033 -16.908 1.00 0.00 H new ATOM 0 HA ILE A 24 10.177 9.412 -15.841 1.00 0.00 H new ATOM 0 HB ILE A 24 10.167 10.504 -18.641 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.748 10.015 -16.915 1.00 0.00 H new ATOM 0 HG13 ILE A 24 8.632 11.523 -16.794 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.745 8.563 -19.152 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.378 8.080 -18.637 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.011 7.941 -17.506 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.786 11.717 -18.430 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.360 11.894 -19.243 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.462 10.362 -19.365 1.00 0.00 H new ATOM 370 N LEU A 25 12.292 8.257 -16.066 1.00 0.00 N ATOM 371 CA LEU A 25 13.506 7.473 -16.214 1.00 0.00 C ATOM 372 C LEU A 25 13.141 5.992 -16.335 1.00 0.00 C ATOM 373 O LEU A 25 12.345 5.479 -15.549 1.00 0.00 O ATOM 374 CB LEU A 25 14.482 7.775 -15.075 1.00 0.00 C ATOM 375 CG LEU A 25 15.632 8.727 -15.411 1.00 0.00 C ATOM 376 CD1 LEU A 25 15.132 9.927 -16.218 1.00 0.00 C ATOM 377 CD2 LEU A 25 16.375 9.158 -14.145 1.00 0.00 C ATOM 0 H LEU A 25 11.716 8.003 -15.263 1.00 0.00 H new ATOM 0 HA LEU A 25 14.027 7.749 -17.131 1.00 0.00 H new ATOM 0 HB2 LEU A 25 13.919 8.197 -14.243 1.00 0.00 H new ATOM 0 HB3 LEU A 25 14.906 6.833 -14.727 1.00 0.00 H new ATOM 0 HG LEU A 25 16.346 8.192 -16.037 1.00 0.00 H new ATOM 0 HD11 LEU A 25 15.969 10.588 -16.444 1.00 0.00 H new ATOM 0 HD12 LEU A 25 14.684 9.578 -17.148 1.00 0.00 H new ATOM 0 HD13 LEU A 25 14.387 10.471 -15.638 1.00 0.00 H new ATOM 0 HD21 LEU A 25 17.187 9.834 -14.412 1.00 0.00 H new ATOM 0 HD22 LEU A 25 15.684 9.668 -13.474 1.00 0.00 H new ATOM 0 HD23 LEU A 25 16.784 8.279 -13.646 1.00 0.00 H new ATOM 389 N HIS A 26 13.741 5.346 -17.324 1.00 0.00 N ATOM 390 CA HIS A 26 13.489 3.934 -17.557 1.00 0.00 C ATOM 391 C HIS A 26 12.015 3.624 -17.285 1.00 0.00 C ATOM 392 O HIS A 26 11.691 2.584 -16.713 1.00 0.00 O ATOM 393 CB HIS A 26 14.439 3.068 -16.727 1.00 0.00 C ATOM 394 CG HIS A 26 15.880 3.516 -16.779 1.00 0.00 C ATOM 395 ND1 HIS A 26 16.436 4.363 -15.837 1.00 0.00 N ATOM 396 CD2 HIS A 26 16.873 3.225 -17.668 1.00 0.00 C ATOM 397 CE1 HIS A 26 17.707 4.566 -16.155 1.00 0.00 C ATOM 398 NE2 HIS A 26 17.975 3.860 -17.290 1.00 0.00 N ATOM 0 H HIS A 26 14.401 5.774 -17.973 1.00 0.00 H new ATOM 0 HA HIS A 26 13.689 3.693 -18.601 1.00 0.00 H new ATOM 0 HB2 HIS A 26 14.105 3.072 -15.689 1.00 0.00 H new ATOM 0 HB3 HIS A 26 14.376 2.038 -17.078 1.00 0.00 H new ATOM 0 HD2 HIS A 26 16.778 2.586 -18.533 1.00 0.00 H new ATOM 0 HE1 HIS A 26 18.407 5.182 -15.611 1.00 0.00 H new ATOM 0 HE2 HIS A 26 18.875 3.826 -17.770 1.00 0.00 H new ATOM 406 N HIS A 27 11.163 4.546 -17.707 1.00 0.00 N ATOM 407 CA HIS A 27 9.731 4.384 -17.517 1.00 0.00 C ATOM 408 C HIS A 27 9.396 4.497 -16.028 1.00 0.00 C ATOM 409 O HIS A 27 8.735 3.623 -15.469 1.00 0.00 O ATOM 410 CB HIS A 27 9.245 3.073 -18.136 1.00 0.00 C ATOM 411 CG HIS A 27 9.274 3.058 -19.646 1.00 0.00 C ATOM 412 ND1 HIS A 27 9.240 1.889 -20.386 1.00 0.00 N ATOM 413 CD2 HIS A 27 9.335 4.082 -20.546 1.00 0.00 C ATOM 414 CE1 HIS A 27 9.280 2.206 -21.671 1.00 0.00 C ATOM 415 NE2 HIS A 27 9.339 3.566 -21.768 1.00 0.00 N ATOM 0 H HIS A 27 11.436 5.408 -18.180 1.00 0.00 H new ATOM 0 HA HIS A 27 9.199 5.181 -18.036 1.00 0.00 H new ATOM 0 HB2 HIS A 27 9.863 2.256 -17.763 1.00 0.00 H new ATOM 0 HB3 HIS A 27 8.226 2.881 -17.801 1.00 0.00 H new ATOM 0 HD2 HIS A 27 9.373 5.134 -20.304 1.00 0.00 H new ATOM 0 HE1 HIS A 27 9.268 1.511 -22.497 1.00 0.00 H new ATOM 0 HE2 HIS A 27 9.380 4.098 -22.637 1.00 0.00 H new ATOM 423 N LYS A 28 9.866 5.581 -15.428 1.00 0.00 N ATOM 424 CA LYS A 28 9.623 5.820 -14.017 1.00 0.00 C ATOM 425 C LYS A 28 10.060 7.243 -13.662 1.00 0.00 C ATOM 426 O LYS A 28 11.189 7.640 -13.949 1.00 0.00 O ATOM 427 CB LYS A 28 10.299 4.740 -13.168 1.00 0.00 C ATOM 428 CG LYS A 28 11.699 5.179 -12.736 1.00 0.00 C ATOM 429 CD LYS A 28 12.633 3.974 -12.599 1.00 0.00 C ATOM 430 CE LYS A 28 12.259 3.126 -11.382 1.00 0.00 C ATOM 431 NZ LYS A 28 12.872 1.783 -11.478 1.00 0.00 N ATOM 0 H LYS A 28 10.414 6.304 -15.895 1.00 0.00 H new ATOM 0 HA LYS A 28 8.558 5.749 -13.796 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.691 4.531 -12.287 1.00 0.00 H new ATOM 0 HB3 LYS A 28 10.364 3.813 -13.737 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.106 5.878 -13.466 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.641 5.709 -11.785 1.00 0.00 H new ATOM 0 HD2 LYS A 28 12.581 3.365 -13.501 1.00 0.00 H new ATOM 0 HD3 LYS A 28 13.663 4.317 -12.505 1.00 0.00 H new ATOM 0 HE2 LYS A 28 12.594 3.621 -10.470 1.00 0.00 H new ATOM 0 HE3 LYS A 28 11.175 3.033 -11.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 12.608 1.220 -10.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 12.533 1.307 -12.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 13.907 1.876 -11.519 1.00 0.00 H new ATOM 445 N VAL A 29 9.142 7.972 -13.044 1.00 0.00 N ATOM 446 CA VAL A 29 9.418 9.343 -12.647 1.00 0.00 C ATOM 447 C VAL A 29 10.336 9.340 -11.423 1.00 0.00 C ATOM 448 O VAL A 29 10.196 8.495 -10.539 1.00 0.00 O ATOM 449 CB VAL A 29 8.106 10.092 -12.410 1.00 0.00 C ATOM 450 CG1 VAL A 29 7.204 10.025 -13.644 1.00 0.00 C ATOM 451 CG2 VAL A 29 7.384 9.555 -11.173 1.00 0.00 C ATOM 0 H VAL A 29 8.207 7.640 -12.808 1.00 0.00 H new ATOM 0 HA VAL A 29 9.940 9.874 -13.443 1.00 0.00 H new ATOM 0 HB VAL A 29 8.347 11.139 -12.229 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.278 10.566 -13.448 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.715 10.478 -14.494 1.00 0.00 H new ATOM 0 HG13 VAL A 29 6.975 8.984 -13.871 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.454 10.105 -11.027 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.162 8.497 -11.312 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.021 9.680 -10.297 1.00 0.00 H new ATOM 461 N TYR A 30 11.254 10.295 -11.409 1.00 0.00 N ATOM 462 CA TYR A 30 12.194 10.413 -10.307 1.00 0.00 C ATOM 463 C TYR A 30 12.008 11.740 -9.568 1.00 0.00 C ATOM 464 O TYR A 30 12.375 12.796 -10.080 1.00 0.00 O ATOM 465 CB TYR A 30 13.588 10.385 -10.938 1.00 0.00 C ATOM 466 CG TYR A 30 14.189 8.983 -11.057 1.00 0.00 C ATOM 467 CD1 TYR A 30 13.400 7.873 -10.835 1.00 0.00 C ATOM 468 CD2 TYR A 30 15.520 8.829 -11.387 1.00 0.00 C ATOM 469 CE1 TYR A 30 13.965 6.554 -10.948 1.00 0.00 C ATOM 470 CE2 TYR A 30 16.085 7.509 -11.500 1.00 0.00 C ATOM 471 CZ TYR A 30 15.281 6.437 -11.275 1.00 0.00 C ATOM 472 OH TYR A 30 15.814 5.191 -11.381 1.00 0.00 O ATOM 0 H TYR A 30 11.367 10.994 -12.143 1.00 0.00 H new ATOM 0 HA TYR A 30 12.045 9.609 -9.587 1.00 0.00 H new ATOM 0 HB2 TYR A 30 13.535 10.832 -11.931 1.00 0.00 H new ATOM 0 HB3 TYR A 30 14.257 11.007 -10.343 1.00 0.00 H new ATOM 0 HD1 TYR A 30 12.358 7.994 -10.576 1.00 0.00 H new ATOM 0 HD2 TYR A 30 16.138 9.698 -11.560 1.00 0.00 H new ATOM 0 HE1 TYR A 30 13.358 5.677 -10.777 1.00 0.00 H new ATOM 0 HE2 TYR A 30 17.125 7.374 -11.758 1.00 0.00 H new ATOM 0 HH TYR A 30 16.762 5.260 -11.621 1.00 0.00 H new ATOM 482 N ASP A 31 11.438 11.641 -8.376 1.00 0.00 N ATOM 483 CA ASP A 31 11.200 12.821 -7.561 1.00 0.00 C ATOM 484 C ASP A 31 12.527 13.312 -6.981 1.00 0.00 C ATOM 485 O ASP A 31 12.809 13.104 -5.803 1.00 0.00 O ATOM 486 CB ASP A 31 10.263 12.502 -6.393 1.00 0.00 C ATOM 487 CG ASP A 31 9.978 13.676 -5.454 1.00 0.00 C ATOM 488 OD1 ASP A 31 9.400 14.669 -5.947 1.00 0.00 O ATOM 489 OD2 ASP A 31 10.346 13.555 -4.266 1.00 0.00 O ATOM 0 H ASP A 31 11.134 10.763 -7.955 1.00 0.00 H new ATOM 0 HA ASP A 31 10.743 13.582 -8.194 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.317 12.139 -6.794 1.00 0.00 H new ATOM 0 HB3 ASP A 31 10.696 11.688 -5.812 1.00 0.00 H new ATOM 494 N LEU A 32 13.308 13.955 -7.838 1.00 0.00 N ATOM 495 CA LEU A 32 14.599 14.477 -7.426 1.00 0.00 C ATOM 496 C LEU A 32 14.451 15.953 -7.051 1.00 0.00 C ATOM 497 O LEU A 32 15.323 16.766 -7.354 1.00 0.00 O ATOM 498 CB LEU A 32 15.651 14.221 -8.506 1.00 0.00 C ATOM 499 CG LEU A 32 15.400 14.890 -9.860 1.00 0.00 C ATOM 500 CD1 LEU A 32 16.480 15.932 -10.164 1.00 0.00 C ATOM 501 CD2 LEU A 32 15.280 13.848 -10.973 1.00 0.00 C ATOM 0 H LEU A 32 13.071 14.126 -8.815 1.00 0.00 H new ATOM 0 HA LEU A 32 14.954 13.955 -6.538 1.00 0.00 H new ATOM 0 HB2 LEU A 32 16.617 14.557 -8.131 1.00 0.00 H new ATOM 0 HB3 LEU A 32 15.727 13.145 -8.663 1.00 0.00 H new ATOM 0 HG LEU A 32 14.447 15.417 -9.810 1.00 0.00 H new ATOM 0 HD11 LEU A 32 16.279 16.393 -11.131 1.00 0.00 H new ATOM 0 HD12 LEU A 32 16.475 16.698 -9.389 1.00 0.00 H new ATOM 0 HD13 LEU A 32 17.456 15.448 -10.189 1.00 0.00 H new ATOM 0 HD21 LEU A 32 15.102 14.350 -11.924 1.00 0.00 H new ATOM 0 HD22 LEU A 32 16.204 13.273 -11.034 1.00 0.00 H new ATOM 0 HD23 LEU A 32 14.449 13.177 -10.756 1.00 0.00 H new ATOM 513 N THR A 33 13.340 16.256 -6.396 1.00 0.00 N ATOM 514 CA THR A 33 13.066 17.620 -5.976 1.00 0.00 C ATOM 515 C THR A 33 14.139 18.104 -4.999 1.00 0.00 C ATOM 516 O THR A 33 14.698 19.186 -5.172 1.00 0.00 O ATOM 517 CB THR A 33 11.651 17.660 -5.394 1.00 0.00 C ATOM 518 OG1 THR A 33 10.830 17.145 -6.438 1.00 0.00 O ATOM 519 CG2 THR A 33 11.142 19.089 -5.190 1.00 0.00 C ATOM 0 H THR A 33 12.618 15.580 -6.146 1.00 0.00 H new ATOM 0 HA THR A 33 13.106 18.309 -6.820 1.00 0.00 H new ATOM 0 HB THR A 33 11.636 17.130 -4.442 1.00 0.00 H new ATOM 0 HG1 THR A 33 10.410 16.311 -6.142 1.00 0.00 H new ATOM 0 HG21 THR A 33 10.134 19.061 -4.775 1.00 0.00 H new ATOM 0 HG22 THR A 33 11.803 19.616 -4.502 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.126 19.610 -6.147 1.00 0.00 H new ATOM 527 N LYS A 34 14.396 17.278 -3.996 1.00 0.00 N ATOM 528 CA LYS A 34 15.393 17.608 -2.992 1.00 0.00 C ATOM 529 C LYS A 34 16.787 17.523 -3.616 1.00 0.00 C ATOM 530 O LYS A 34 17.659 18.332 -3.308 1.00 0.00 O ATOM 531 CB LYS A 34 15.219 16.726 -1.754 1.00 0.00 C ATOM 532 CG LYS A 34 13.739 16.440 -1.488 1.00 0.00 C ATOM 533 CD LYS A 34 13.422 14.957 -1.688 1.00 0.00 C ATOM 534 CE LYS A 34 12.171 14.775 -2.548 1.00 0.00 C ATOM 535 NZ LYS A 34 11.000 14.460 -1.699 1.00 0.00 N ATOM 0 H LYS A 34 13.931 16.381 -3.857 1.00 0.00 H new ATOM 0 HA LYS A 34 15.260 18.633 -2.646 1.00 0.00 H new ATOM 0 HB2 LYS A 34 15.755 15.787 -1.894 1.00 0.00 H new ATOM 0 HB3 LYS A 34 15.659 17.219 -0.887 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.485 16.736 -0.470 1.00 0.00 H new ATOM 0 HG3 LYS A 34 13.123 17.041 -2.157 1.00 0.00 H new ATOM 0 HD2 LYS A 34 14.269 14.461 -2.162 1.00 0.00 H new ATOM 0 HD3 LYS A 34 13.274 14.479 -0.719 1.00 0.00 H new ATOM 0 HE2 LYS A 34 11.980 15.683 -3.119 1.00 0.00 H new ATOM 0 HE3 LYS A 34 12.331 13.973 -3.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 10.247 14.046 -2.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 11.278 13.781 -0.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.651 15.332 -1.252 1.00 0.00 H new ATOM 549 N TYR A 35 16.953 16.534 -4.483 1.00 0.00 N ATOM 550 CA TYR A 35 18.227 16.333 -5.153 1.00 0.00 C ATOM 551 C TYR A 35 18.284 17.116 -6.466 1.00 0.00 C ATOM 552 O TYR A 35 19.087 16.804 -7.344 1.00 0.00 O ATOM 553 CB TYR A 35 18.308 14.837 -5.463 1.00 0.00 C ATOM 554 CG TYR A 35 19.629 14.404 -6.100 1.00 0.00 C ATOM 555 CD1 TYR A 35 20.725 14.137 -5.303 1.00 0.00 C ATOM 556 CD2 TYR A 35 19.727 14.281 -7.471 1.00 0.00 C ATOM 557 CE1 TYR A 35 21.969 13.730 -5.903 1.00 0.00 C ATOM 558 CE2 TYR A 35 20.972 13.874 -8.071 1.00 0.00 C ATOM 559 CZ TYR A 35 22.031 13.618 -7.258 1.00 0.00 C ATOM 560 OH TYR A 35 23.206 13.234 -7.823 1.00 0.00 O ATOM 0 H TYR A 35 16.227 15.864 -4.737 1.00 0.00 H new ATOM 0 HA TYR A 35 19.050 16.676 -4.525 1.00 0.00 H new ATOM 0 HB2 TYR A 35 18.161 14.277 -4.540 1.00 0.00 H new ATOM 0 HB3 TYR A 35 17.490 14.570 -6.132 1.00 0.00 H new ATOM 0 HD1 TYR A 35 20.649 14.233 -4.230 1.00 0.00 H new ATOM 0 HD2 TYR A 35 18.870 14.490 -8.094 1.00 0.00 H new ATOM 0 HE1 TYR A 35 22.834 13.518 -5.291 1.00 0.00 H new ATOM 0 HE2 TYR A 35 21.062 13.775 -9.143 1.00 0.00 H new ATOM 0 HH TYR A 35 23.104 13.196 -8.797 1.00 0.00 H new ATOM 570 N LEU A 36 17.423 18.119 -6.558 1.00 0.00 N ATOM 571 CA LEU A 36 17.367 18.950 -7.748 1.00 0.00 C ATOM 572 C LEU A 36 18.538 19.933 -7.735 1.00 0.00 C ATOM 573 O LEU A 36 19.234 20.091 -8.738 1.00 0.00 O ATOM 574 CB LEU A 36 15.998 19.624 -7.867 1.00 0.00 C ATOM 575 CG LEU A 36 15.882 20.724 -8.925 1.00 0.00 C ATOM 576 CD1 LEU A 36 16.669 21.969 -8.510 1.00 0.00 C ATOM 577 CD2 LEU A 36 16.308 20.208 -10.301 1.00 0.00 C ATOM 0 H LEU A 36 16.759 18.375 -5.828 1.00 0.00 H new ATOM 0 HA LEU A 36 17.475 18.339 -8.644 1.00 0.00 H new ATOM 0 HB2 LEU A 36 15.255 18.857 -8.086 1.00 0.00 H new ATOM 0 HB3 LEU A 36 15.740 20.051 -6.898 1.00 0.00 H new ATOM 0 HG LEU A 36 14.835 21.016 -9.001 1.00 0.00 H new ATOM 0 HD11 LEU A 36 16.570 22.735 -9.279 1.00 0.00 H new ATOM 0 HD12 LEU A 36 16.277 22.349 -7.566 1.00 0.00 H new ATOM 0 HD13 LEU A 36 17.721 21.711 -8.389 1.00 0.00 H new ATOM 0 HD21 LEU A 36 16.216 21.009 -11.034 1.00 0.00 H new ATOM 0 HD22 LEU A 36 17.344 19.872 -10.259 1.00 0.00 H new ATOM 0 HD23 LEU A 36 15.668 19.375 -10.591 1.00 0.00 H new ATOM 589 N GLU A 37 18.722 20.570 -6.587 1.00 0.00 N ATOM 590 CA GLU A 37 19.797 21.534 -6.430 1.00 0.00 C ATOM 591 C GLU A 37 21.068 20.837 -5.943 1.00 0.00 C ATOM 592 O GLU A 37 22.130 21.453 -5.872 1.00 0.00 O ATOM 593 CB GLU A 37 19.389 22.660 -5.477 1.00 0.00 C ATOM 594 CG GLU A 37 19.157 22.124 -4.063 1.00 0.00 C ATOM 595 CD GLU A 37 19.530 23.172 -3.012 1.00 0.00 C ATOM 596 OE1 GLU A 37 19.054 24.317 -3.159 1.00 0.00 O ATOM 597 OE2 GLU A 37 20.282 22.802 -2.084 1.00 0.00 O ATOM 0 H GLU A 37 18.144 20.437 -5.757 1.00 0.00 H new ATOM 0 HA GLU A 37 20.002 21.982 -7.402 1.00 0.00 H new ATOM 0 HB2 GLU A 37 20.166 23.424 -5.457 1.00 0.00 H new ATOM 0 HB3 GLU A 37 18.480 23.139 -5.842 1.00 0.00 H new ATOM 0 HG2 GLU A 37 18.111 21.841 -3.944 1.00 0.00 H new ATOM 0 HG3 GLU A 37 19.750 21.223 -3.910 1.00 0.00 H new ATOM 604 N GLU A 38 20.918 19.561 -5.619 1.00 0.00 N ATOM 605 CA GLU A 38 22.040 18.773 -5.139 1.00 0.00 C ATOM 606 C GLU A 38 22.794 18.152 -6.318 1.00 0.00 C ATOM 607 O GLU A 38 23.966 17.804 -6.194 1.00 0.00 O ATOM 608 CB GLU A 38 21.575 17.697 -4.157 1.00 0.00 C ATOM 609 CG GLU A 38 22.426 17.711 -2.886 1.00 0.00 C ATOM 610 CD GLU A 38 21.680 18.385 -1.733 1.00 0.00 C ATOM 611 OE1 GLU A 38 21.386 19.591 -1.876 1.00 0.00 O ATOM 612 OE2 GLU A 38 21.421 17.678 -0.735 1.00 0.00 O ATOM 0 H GLU A 38 20.036 19.053 -5.680 1.00 0.00 H new ATOM 0 HA GLU A 38 22.722 19.434 -4.604 1.00 0.00 H new ATOM 0 HB2 GLU A 38 20.529 17.862 -3.900 1.00 0.00 H new ATOM 0 HB3 GLU A 38 21.637 16.717 -4.630 1.00 0.00 H new ATOM 0 HG2 GLU A 38 22.687 16.690 -2.607 1.00 0.00 H new ATOM 0 HG3 GLU A 38 23.361 18.238 -3.076 1.00 0.00 H new ATOM 619 N HIS A 39 22.088 18.031 -7.433 1.00 0.00 N ATOM 620 CA HIS A 39 22.675 17.458 -8.632 1.00 0.00 C ATOM 621 C HIS A 39 24.012 18.140 -8.925 1.00 0.00 C ATOM 622 O HIS A 39 24.077 19.363 -9.041 1.00 0.00 O ATOM 623 CB HIS A 39 21.697 17.538 -9.806 1.00 0.00 C ATOM 624 CG HIS A 39 22.030 16.604 -10.946 1.00 0.00 C ATOM 625 ND1 HIS A 39 21.939 16.981 -12.275 1.00 0.00 N ATOM 626 CD2 HIS A 39 22.455 15.308 -10.942 1.00 0.00 C ATOM 627 CE1 HIS A 39 22.295 15.951 -13.028 1.00 0.00 C ATOM 628 NE2 HIS A 39 22.613 14.914 -12.199 1.00 0.00 N ATOM 0 H HIS A 39 21.115 18.320 -7.531 1.00 0.00 H new ATOM 0 HA HIS A 39 22.876 16.398 -8.473 1.00 0.00 H new ATOM 0 HB2 HIS A 39 20.693 17.312 -9.446 1.00 0.00 H new ATOM 0 HB3 HIS A 39 21.678 18.561 -10.181 1.00 0.00 H new ATOM 0 HD1 HIS A 39 21.647 17.897 -12.616 1.00 0.00 H new ATOM 0 HD2 HIS A 39 22.633 14.705 -10.064 1.00 0.00 H new ATOM 0 HE1 HIS A 39 22.328 15.935 -14.107 1.00 0.00 H new ATOM 636 N PRO A 40 25.074 17.298 -9.039 1.00 0.00 N ATOM 637 CA PRO A 40 26.407 17.807 -9.317 1.00 0.00 C ATOM 638 C PRO A 40 26.538 18.229 -10.782 1.00 0.00 C ATOM 639 O PRO A 40 27.290 19.148 -11.103 1.00 0.00 O ATOM 640 CB PRO A 40 27.347 16.676 -8.938 1.00 0.00 C ATOM 641 CG PRO A 40 26.494 15.418 -8.903 1.00 0.00 C ATOM 642 CD PRO A 40 25.034 15.845 -8.908 1.00 0.00 C ATOM 0 HA PRO A 40 26.641 18.708 -8.749 1.00 0.00 H new ATOM 0 HB2 PRO A 40 28.155 16.580 -9.664 1.00 0.00 H new ATOM 0 HB3 PRO A 40 27.810 16.861 -7.969 1.00 0.00 H new ATOM 0 HG2 PRO A 40 26.710 14.786 -9.764 1.00 0.00 H new ATOM 0 HG3 PRO A 40 26.717 14.830 -8.013 1.00 0.00 H new ATOM 0 HD2 PRO A 40 24.490 15.388 -9.735 1.00 0.00 H new ATOM 0 HD3 PRO A 40 24.530 15.544 -7.990 1.00 0.00 H new ATOM 650 N GLY A 41 25.795 17.536 -11.633 1.00 0.00 N ATOM 651 CA GLY A 41 25.820 17.827 -13.056 1.00 0.00 C ATOM 652 C GLY A 41 25.259 19.221 -13.341 1.00 0.00 C ATOM 653 O GLY A 41 25.988 20.110 -13.779 1.00 0.00 O ATOM 0 H GLY A 41 25.172 16.774 -11.364 1.00 0.00 H new ATOM 0 HA2 GLY A 41 26.843 17.760 -13.426 1.00 0.00 H new ATOM 0 HA3 GLY A 41 25.237 17.080 -13.594 1.00 0.00 H new ATOM 657 N GLY A 42 23.968 19.370 -13.081 1.00 0.00 N ATOM 658 CA GLY A 42 23.301 20.642 -13.303 1.00 0.00 C ATOM 659 C GLY A 42 21.860 20.602 -12.789 1.00 0.00 C ATOM 660 O GLY A 42 21.225 19.549 -12.792 1.00 0.00 O ATOM 0 H GLY A 42 23.366 18.631 -12.719 1.00 0.00 H new ATOM 0 HA2 GLY A 42 23.849 21.437 -12.798 1.00 0.00 H new ATOM 0 HA3 GLY A 42 23.305 20.878 -14.367 1.00 0.00 H new ATOM 664 N GLU A 43 21.387 21.763 -12.361 1.00 0.00 N ATOM 665 CA GLU A 43 20.033 21.874 -11.845 1.00 0.00 C ATOM 666 C GLU A 43 19.052 22.150 -12.986 1.00 0.00 C ATOM 667 O GLU A 43 17.849 21.937 -12.840 1.00 0.00 O ATOM 668 CB GLU A 43 19.943 22.960 -10.771 1.00 0.00 C ATOM 669 CG GLU A 43 20.463 24.298 -11.299 1.00 0.00 C ATOM 670 CD GLU A 43 19.441 25.413 -11.065 1.00 0.00 C ATOM 671 OE1 GLU A 43 18.995 25.540 -9.905 1.00 0.00 O ATOM 672 OE2 GLU A 43 19.131 26.114 -12.052 1.00 0.00 O ATOM 0 H GLU A 43 21.917 22.635 -12.361 1.00 0.00 H new ATOM 0 HA GLU A 43 19.763 20.926 -11.380 1.00 0.00 H new ATOM 0 HB2 GLU A 43 18.908 23.071 -10.446 1.00 0.00 H new ATOM 0 HB3 GLU A 43 20.521 22.661 -9.897 1.00 0.00 H new ATOM 0 HG2 GLU A 43 21.401 24.549 -10.803 1.00 0.00 H new ATOM 0 HG3 GLU A 43 20.678 24.214 -12.364 1.00 0.00 H new ATOM 679 N GLU A 44 19.601 22.619 -14.097 1.00 0.00 N ATOM 680 CA GLU A 44 18.790 22.926 -15.262 1.00 0.00 C ATOM 681 C GLU A 44 18.565 21.666 -16.099 1.00 0.00 C ATOM 682 O GLU A 44 17.427 21.314 -16.405 1.00 0.00 O ATOM 683 CB GLU A 44 19.430 24.035 -16.100 1.00 0.00 C ATOM 684 CG GLU A 44 19.552 25.330 -15.295 1.00 0.00 C ATOM 685 CD GLU A 44 19.035 26.525 -16.098 1.00 0.00 C ATOM 686 OE1 GLU A 44 19.855 27.108 -16.839 1.00 0.00 O ATOM 687 OE2 GLU A 44 17.831 26.829 -15.953 1.00 0.00 O ATOM 0 H GLU A 44 20.599 22.794 -14.215 1.00 0.00 H new ATOM 0 HA GLU A 44 17.821 23.289 -14.920 1.00 0.00 H new ATOM 0 HB2 GLU A 44 20.417 23.718 -16.437 1.00 0.00 H new ATOM 0 HB3 GLU A 44 18.831 24.213 -16.993 1.00 0.00 H new ATOM 0 HG2 GLU A 44 18.988 25.240 -14.367 1.00 0.00 H new ATOM 0 HG3 GLU A 44 20.594 25.495 -15.020 1.00 0.00 H new ATOM 694 N VAL A 45 19.669 21.019 -16.446 1.00 0.00 N ATOM 695 CA VAL A 45 19.606 19.805 -17.242 1.00 0.00 C ATOM 696 C VAL A 45 18.431 18.950 -16.768 1.00 0.00 C ATOM 697 O VAL A 45 17.852 18.196 -17.548 1.00 0.00 O ATOM 698 CB VAL A 45 20.945 19.069 -17.179 1.00 0.00 C ATOM 699 CG1 VAL A 45 21.618 19.272 -15.821 1.00 0.00 C ATOM 700 CG2 VAL A 45 20.768 17.582 -17.488 1.00 0.00 C ATOM 0 H VAL A 45 20.612 21.313 -16.190 1.00 0.00 H new ATOM 0 HA VAL A 45 19.431 20.044 -18.291 1.00 0.00 H new ATOM 0 HB VAL A 45 21.597 19.493 -17.942 1.00 0.00 H new ATOM 0 HG11 VAL A 45 22.568 18.738 -15.802 1.00 0.00 H new ATOM 0 HG12 VAL A 45 21.796 20.335 -15.658 1.00 0.00 H new ATOM 0 HG13 VAL A 45 20.971 18.887 -15.033 1.00 0.00 H new ATOM 0 HG21 VAL A 45 21.735 17.082 -17.437 1.00 0.00 H new ATOM 0 HG22 VAL A 45 20.090 17.137 -16.759 1.00 0.00 H new ATOM 0 HG23 VAL A 45 20.352 17.465 -18.489 1.00 0.00 H new ATOM 710 N LEU A 46 18.112 19.095 -15.490 1.00 0.00 N ATOM 711 CA LEU A 46 17.016 18.345 -14.902 1.00 0.00 C ATOM 712 C LEU A 46 15.702 19.082 -15.160 1.00 0.00 C ATOM 713 O LEU A 46 14.803 18.552 -15.812 1.00 0.00 O ATOM 714 CB LEU A 46 17.287 18.070 -13.422 1.00 0.00 C ATOM 715 CG LEU A 46 18.746 17.806 -13.044 1.00 0.00 C ATOM 716 CD1 LEU A 46 19.026 18.237 -11.603 1.00 0.00 C ATOM 717 CD2 LEU A 46 19.121 16.344 -13.289 1.00 0.00 C ATOM 0 H LEU A 46 18.594 19.721 -14.845 1.00 0.00 H new ATOM 0 HA LEU A 46 16.930 17.366 -15.373 1.00 0.00 H new ATOM 0 HB2 LEU A 46 16.931 18.923 -12.844 1.00 0.00 H new ATOM 0 HB3 LEU A 46 16.692 17.208 -13.118 1.00 0.00 H new ATOM 0 HG LEU A 46 19.381 18.412 -13.690 1.00 0.00 H new ATOM 0 HD11 LEU A 46 20.070 18.038 -11.360 1.00 0.00 H new ATOM 0 HD12 LEU A 46 18.825 19.303 -11.497 1.00 0.00 H new ATOM 0 HD13 LEU A 46 18.383 17.677 -10.924 1.00 0.00 H new ATOM 0 HD21 LEU A 46 20.163 16.184 -13.012 1.00 0.00 H new ATOM 0 HD22 LEU A 46 18.482 15.699 -12.686 1.00 0.00 H new ATOM 0 HD23 LEU A 46 18.985 16.105 -14.344 1.00 0.00 H new ATOM 729 N ARG A 47 15.628 20.297 -14.634 1.00 0.00 N ATOM 730 CA ARG A 47 14.439 21.114 -14.799 1.00 0.00 C ATOM 731 C ARG A 47 14.141 21.324 -16.285 1.00 0.00 C ATOM 732 O ARG A 47 13.056 20.987 -16.758 1.00 0.00 O ATOM 733 CB ARG A 47 14.608 22.476 -14.123 1.00 0.00 C ATOM 734 CG ARG A 47 14.701 22.326 -12.603 1.00 0.00 C ATOM 735 CD ARG A 47 14.026 23.502 -11.893 1.00 0.00 C ATOM 736 NE ARG A 47 15.043 24.495 -11.482 1.00 0.00 N ATOM 737 CZ ARG A 47 14.790 25.800 -11.305 1.00 0.00 C ATOM 738 NH1 ARG A 47 13.553 26.274 -11.502 1.00 0.00 N ATOM 739 NH2 ARG A 47 15.775 26.628 -10.930 1.00 0.00 N ATOM 0 H ARG A 47 16.374 20.735 -14.093 1.00 0.00 H new ATOM 0 HA ARG A 47 13.608 20.588 -14.329 1.00 0.00 H new ATOM 0 HB2 ARG A 47 15.507 22.964 -14.500 1.00 0.00 H new ATOM 0 HB3 ARG A 47 13.766 23.119 -14.378 1.00 0.00 H new ATOM 0 HG2 ARG A 47 14.229 21.392 -12.297 1.00 0.00 H new ATOM 0 HG3 ARG A 47 15.747 22.268 -12.303 1.00 0.00 H new ATOM 0 HD2 ARG A 47 13.297 23.968 -12.556 1.00 0.00 H new ATOM 0 HD3 ARG A 47 13.480 23.145 -11.020 1.00 0.00 H new ATOM 0 HE ARG A 47 15.996 24.167 -11.323 1.00 0.00 H new ATOM 0 HH11 ARG A 47 12.804 25.643 -11.786 1.00 0.00 H new ATOM 0 HH12 ARG A 47 13.360 27.266 -11.368 1.00 0.00 H new ATOM 0 HH21 ARG A 47 16.716 26.265 -10.779 1.00 0.00 H new ATOM 0 HH22 ARG A 47 15.583 27.621 -10.795 1.00 0.00 H new ATOM 753 N GLU A 48 15.123 21.879 -16.979 1.00 0.00 N ATOM 754 CA GLU A 48 14.979 22.138 -18.403 1.00 0.00 C ATOM 755 C GLU A 48 14.128 21.048 -19.057 1.00 0.00 C ATOM 756 O GLU A 48 13.237 21.344 -19.851 1.00 0.00 O ATOM 757 CB GLU A 48 16.347 22.247 -19.081 1.00 0.00 C ATOM 758 CG GLU A 48 16.207 22.755 -20.517 1.00 0.00 C ATOM 759 CD GLU A 48 16.611 24.227 -20.620 1.00 0.00 C ATOM 760 OE1 GLU A 48 16.028 25.029 -19.860 1.00 0.00 O ATOM 761 OE2 GLU A 48 17.495 24.515 -21.456 1.00 0.00 O ATOM 0 H GLU A 48 16.021 22.157 -16.583 1.00 0.00 H new ATOM 0 HA GLU A 48 14.470 23.094 -18.530 1.00 0.00 H new ATOM 0 HB2 GLU A 48 16.986 22.923 -18.513 1.00 0.00 H new ATOM 0 HB3 GLU A 48 16.835 21.272 -19.082 1.00 0.00 H new ATOM 0 HG2 GLU A 48 16.830 22.156 -21.181 1.00 0.00 H new ATOM 0 HG3 GLU A 48 15.177 22.633 -20.851 1.00 0.00 H new ATOM 768 N GLN A 49 14.433 19.808 -18.699 1.00 0.00 N ATOM 769 CA GLN A 49 13.706 18.673 -19.242 1.00 0.00 C ATOM 770 C GLN A 49 13.324 17.704 -18.121 1.00 0.00 C ATOM 771 O GLN A 49 13.619 16.512 -18.199 1.00 0.00 O ATOM 772 CB GLN A 49 14.524 17.965 -20.324 1.00 0.00 C ATOM 773 CG GLN A 49 15.830 17.413 -19.751 1.00 0.00 C ATOM 774 CD GLN A 49 16.940 17.425 -20.804 1.00 0.00 C ATOM 775 OE1 GLN A 49 16.958 16.348 -21.583 1.00 0.00 O flip ATOM 776 NE2 GLN A 49 17.727 18.352 -20.902 1.00 0.00 N flip ATOM 0 H GLN A 49 15.173 19.565 -18.040 1.00 0.00 H new ATOM 0 HA GLN A 49 12.791 19.040 -19.707 1.00 0.00 H new ATOM 0 HB2 GLN A 49 13.939 17.152 -20.753 1.00 0.00 H new ATOM 0 HB3 GLN A 49 14.744 18.662 -21.133 1.00 0.00 H new ATOM 0 HG2 GLN A 49 16.134 18.009 -18.890 1.00 0.00 H new ATOM 0 HG3 GLN A 49 15.673 16.395 -19.395 1.00 0.00 H new ATOM 0 HE21 GLN A 49 17.657 19.150 -20.270 1.00 0.00 H new ATOM 0 HE22 GLN A 49 18.455 18.329 -21.616 1.00 0.00 H new ATOM 785 N ALA A 50 12.672 18.251 -17.106 1.00 0.00 N ATOM 786 CA ALA A 50 12.246 17.448 -15.971 1.00 0.00 C ATOM 787 C ALA A 50 11.066 16.569 -16.388 1.00 0.00 C ATOM 788 O ALA A 50 11.259 15.453 -16.869 1.00 0.00 O ATOM 789 CB ALA A 50 11.902 18.368 -14.797 1.00 0.00 C ATOM 0 H ALA A 50 12.428 19.240 -17.045 1.00 0.00 H new ATOM 0 HA ALA A 50 13.049 16.787 -15.644 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.582 17.767 -13.945 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.781 18.950 -14.521 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.097 19.043 -15.087 1.00 0.00 H new ATOM 795 N GLY A 51 9.870 17.103 -16.190 1.00 0.00 N ATOM 796 CA GLY A 51 8.659 16.381 -16.539 1.00 0.00 C ATOM 797 C GLY A 51 8.805 15.692 -17.897 1.00 0.00 C ATOM 798 O GLY A 51 8.182 14.660 -18.143 1.00 0.00 O ATOM 0 H GLY A 51 9.714 18.029 -15.792 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.440 15.638 -15.772 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.815 17.070 -16.566 1.00 0.00 H new ATOM 802 N GLY A 52 9.631 16.289 -18.743 1.00 0.00 N ATOM 803 CA GLY A 52 9.866 15.747 -20.070 1.00 0.00 C ATOM 804 C GLY A 52 10.440 14.331 -19.988 1.00 0.00 C ATOM 805 O GLY A 52 9.979 13.514 -19.193 1.00 0.00 O ATOM 0 H GLY A 52 10.147 17.144 -18.535 1.00 0.00 H new ATOM 0 HA2 GLY A 52 8.932 15.733 -20.632 1.00 0.00 H new ATOM 0 HA3 GLY A 52 10.556 16.392 -20.614 1.00 0.00 H new ATOM 809 N ASP A 53 11.440 14.083 -20.823 1.00 0.00 N ATOM 810 CA ASP A 53 12.082 12.780 -20.855 1.00 0.00 C ATOM 811 C ASP A 53 13.601 12.964 -20.839 1.00 0.00 C ATOM 812 O ASP A 53 14.182 13.440 -21.813 1.00 0.00 O ATOM 813 CB ASP A 53 11.712 12.015 -22.127 1.00 0.00 C ATOM 814 CG ASP A 53 12.233 12.632 -23.427 1.00 0.00 C ATOM 815 OD1 ASP A 53 11.738 13.725 -23.776 1.00 0.00 O ATOM 816 OD2 ASP A 53 13.116 11.994 -24.043 1.00 0.00 O ATOM 0 H ASP A 53 11.821 14.762 -21.482 1.00 0.00 H new ATOM 0 HA ASP A 53 11.745 12.217 -19.985 1.00 0.00 H new ATOM 0 HB2 ASP A 53 12.096 10.998 -22.046 1.00 0.00 H new ATOM 0 HB3 ASP A 53 10.626 11.942 -22.186 1.00 0.00 H new ATOM 821 N ALA A 54 14.200 12.577 -19.723 1.00 0.00 N ATOM 822 CA ALA A 54 15.640 12.694 -19.567 1.00 0.00 C ATOM 823 C ALA A 54 16.249 11.296 -19.441 1.00 0.00 C ATOM 824 O ALA A 54 17.391 11.150 -19.009 1.00 0.00 O ATOM 825 CB ALA A 54 15.954 13.578 -18.358 1.00 0.00 C ATOM 0 H ALA A 54 13.714 12.182 -18.918 1.00 0.00 H new ATOM 0 HA ALA A 54 16.083 13.170 -20.442 1.00 0.00 H new ATOM 0 HB1 ALA A 54 17.034 13.665 -18.242 1.00 0.00 H new ATOM 0 HB2 ALA A 54 15.524 14.568 -18.510 1.00 0.00 H new ATOM 0 HB3 ALA A 54 15.527 13.131 -17.460 1.00 0.00 H new ATOM 831 N THR A 55 15.461 10.305 -19.828 1.00 0.00 N ATOM 832 CA THR A 55 15.909 8.923 -19.763 1.00 0.00 C ATOM 833 C THR A 55 17.283 8.777 -20.420 1.00 0.00 C ATOM 834 O THR A 55 18.239 8.347 -19.776 1.00 0.00 O ATOM 835 CB THR A 55 14.832 8.047 -20.406 1.00 0.00 C ATOM 836 OG1 THR A 55 13.850 7.897 -19.384 1.00 0.00 O ATOM 837 CG2 THR A 55 15.318 6.619 -20.667 1.00 0.00 C ATOM 0 H THR A 55 14.515 10.430 -20.188 1.00 0.00 H new ATOM 0 HA THR A 55 16.040 8.597 -18.731 1.00 0.00 H new ATOM 0 HB THR A 55 14.509 8.499 -21.344 1.00 0.00 H new ATOM 0 HG1 THR A 55 13.663 8.770 -18.980 1.00 0.00 H new ATOM 0 HG21 THR A 55 14.516 6.039 -21.124 1.00 0.00 H new ATOM 0 HG22 THR A 55 16.176 6.644 -21.339 1.00 0.00 H new ATOM 0 HG23 THR A 55 15.609 6.156 -19.724 1.00 0.00 H new ATOM 845 N GLU A 56 17.338 9.144 -21.691 1.00 0.00 N ATOM 846 CA GLU A 56 18.579 9.059 -22.442 1.00 0.00 C ATOM 847 C GLU A 56 19.587 10.085 -21.919 1.00 0.00 C ATOM 848 O GLU A 56 20.773 9.786 -21.792 1.00 0.00 O ATOM 849 CB GLU A 56 18.328 9.250 -23.939 1.00 0.00 C ATOM 850 CG GLU A 56 17.432 8.141 -24.492 1.00 0.00 C ATOM 851 CD GLU A 56 16.079 8.700 -24.936 1.00 0.00 C ATOM 852 OE1 GLU A 56 16.076 9.452 -25.935 1.00 0.00 O ATOM 853 OE2 GLU A 56 15.078 8.362 -24.268 1.00 0.00 O ATOM 0 H GLU A 56 16.543 9.501 -22.221 1.00 0.00 H new ATOM 0 HA GLU A 56 18.999 8.063 -22.302 1.00 0.00 H new ATOM 0 HB2 GLU A 56 17.861 10.220 -24.112 1.00 0.00 H new ATOM 0 HB3 GLU A 56 19.278 9.254 -24.473 1.00 0.00 H new ATOM 0 HG2 GLU A 56 17.924 7.658 -25.336 1.00 0.00 H new ATOM 0 HG3 GLU A 56 17.281 7.376 -23.730 1.00 0.00 H new ATOM 860 N ASN A 57 19.078 11.273 -21.630 1.00 0.00 N ATOM 861 CA ASN A 57 19.918 12.344 -21.124 1.00 0.00 C ATOM 862 C ASN A 57 20.446 11.962 -19.739 1.00 0.00 C ATOM 863 O ASN A 57 21.364 12.598 -19.223 1.00 0.00 O ATOM 864 CB ASN A 57 19.127 13.647 -20.985 1.00 0.00 C ATOM 865 CG ASN A 57 19.311 14.534 -22.217 1.00 0.00 C ATOM 866 OD1 ASN A 57 18.562 14.470 -23.178 1.00 0.00 O ATOM 867 ND2 ASN A 57 20.347 15.363 -22.136 1.00 0.00 N ATOM 0 H ASN A 57 18.094 11.517 -21.737 1.00 0.00 H new ATOM 0 HA ASN A 57 20.736 12.492 -21.829 1.00 0.00 H new ATOM 0 HB2 ASN A 57 18.069 13.422 -20.849 1.00 0.00 H new ATOM 0 HB3 ASN A 57 19.455 14.183 -20.094 1.00 0.00 H new ATOM 0 HD21 ASN A 57 20.555 15.997 -22.908 1.00 0.00 H new ATOM 0 HD22 ASN A 57 20.934 15.365 -21.302 1.00 0.00 H new ATOM 874 N PHE A 58 19.842 10.925 -19.176 1.00 0.00 N ATOM 875 CA PHE A 58 20.240 10.450 -17.862 1.00 0.00 C ATOM 876 C PHE A 58 21.175 9.245 -17.974 1.00 0.00 C ATOM 877 O PHE A 58 22.143 9.134 -17.222 1.00 0.00 O ATOM 878 CB PHE A 58 18.962 10.024 -17.135 1.00 0.00 C ATOM 879 CG PHE A 58 19.205 9.428 -15.747 1.00 0.00 C ATOM 880 CD1 PHE A 58 19.635 10.223 -14.732 1.00 0.00 C ATOM 881 CD2 PHE A 58 18.991 8.102 -15.530 1.00 0.00 C ATOM 882 CE1 PHE A 58 19.860 9.670 -13.443 1.00 0.00 C ATOM 883 CE2 PHE A 58 19.217 7.549 -14.242 1.00 0.00 C ATOM 884 CZ PHE A 58 19.647 8.344 -13.225 1.00 0.00 C ATOM 0 H PHE A 58 19.080 10.401 -19.606 1.00 0.00 H new ATOM 0 HA PHE A 58 20.770 11.238 -17.326 1.00 0.00 H new ATOM 0 HB2 PHE A 58 18.306 10.889 -17.038 1.00 0.00 H new ATOM 0 HB3 PHE A 58 18.435 9.291 -17.747 1.00 0.00 H new ATOM 0 HD1 PHE A 58 19.806 11.275 -14.905 1.00 0.00 H new ATOM 0 HD2 PHE A 58 18.649 7.471 -16.337 1.00 0.00 H new ATOM 0 HE1 PHE A 58 20.200 10.302 -12.636 1.00 0.00 H new ATOM 0 HE2 PHE A 58 19.047 6.496 -14.069 1.00 0.00 H new ATOM 0 HZ PHE A 58 19.819 7.923 -12.246 1.00 0.00 H new ATOM 894 N GLU A 59 20.854 8.373 -18.919 1.00 0.00 N ATOM 895 CA GLU A 59 21.654 7.180 -19.138 1.00 0.00 C ATOM 896 C GLU A 59 22.886 7.516 -19.981 1.00 0.00 C ATOM 897 O GLU A 59 23.956 6.945 -19.776 1.00 0.00 O ATOM 898 CB GLU A 59 20.823 6.076 -19.796 1.00 0.00 C ATOM 899 CG GLU A 59 20.825 6.222 -21.319 1.00 0.00 C ATOM 900 CD GLU A 59 19.741 5.350 -21.955 1.00 0.00 C ATOM 901 OE1 GLU A 59 20.046 4.167 -22.219 1.00 0.00 O ATOM 902 OE2 GLU A 59 18.631 5.886 -22.161 1.00 0.00 O ATOM 0 H GLU A 59 20.051 8.469 -19.541 1.00 0.00 H new ATOM 0 HA GLU A 59 21.990 6.808 -18.170 1.00 0.00 H new ATOM 0 HB2 GLU A 59 21.224 5.101 -19.520 1.00 0.00 H new ATOM 0 HB3 GLU A 59 19.799 6.116 -19.425 1.00 0.00 H new ATOM 0 HG2 GLU A 59 20.661 7.266 -21.588 1.00 0.00 H new ATOM 0 HG3 GLU A 59 21.801 5.940 -21.714 1.00 0.00 H new ATOM 909 N ASP A 60 22.693 8.438 -20.913 1.00 0.00 N ATOM 910 CA ASP A 60 23.775 8.856 -21.788 1.00 0.00 C ATOM 911 C ASP A 60 24.946 9.356 -20.940 1.00 0.00 C ATOM 912 O ASP A 60 26.101 9.046 -21.225 1.00 0.00 O ATOM 913 CB ASP A 60 23.332 9.998 -22.704 1.00 0.00 C ATOM 914 CG ASP A 60 24.364 10.424 -23.751 1.00 0.00 C ATOM 915 OD1 ASP A 60 25.529 10.633 -23.347 1.00 0.00 O ATOM 916 OD2 ASP A 60 23.965 10.530 -24.931 1.00 0.00 O ATOM 0 H ASP A 60 21.803 8.907 -21.081 1.00 0.00 H new ATOM 0 HA ASP A 60 24.068 8.000 -22.396 1.00 0.00 H new ATOM 0 HB2 ASP A 60 22.418 9.699 -23.217 1.00 0.00 H new ATOM 0 HB3 ASP A 60 23.083 10.862 -22.088 1.00 0.00 H new ATOM 921 N VAL A 61 24.607 10.124 -19.914 1.00 0.00 N ATOM 922 CA VAL A 61 25.616 10.671 -19.023 1.00 0.00 C ATOM 923 C VAL A 61 26.262 9.533 -18.232 1.00 0.00 C ATOM 924 O VAL A 61 27.350 9.695 -17.679 1.00 0.00 O ATOM 925 CB VAL A 61 24.996 11.745 -18.127 1.00 0.00 C ATOM 926 CG1 VAL A 61 24.222 12.772 -18.957 1.00 0.00 C ATOM 927 CG2 VAL A 61 24.100 11.117 -17.059 1.00 0.00 C ATOM 0 H VAL A 61 23.648 10.380 -19.680 1.00 0.00 H new ATOM 0 HA VAL A 61 26.406 11.159 -19.594 1.00 0.00 H new ATOM 0 HB VAL A 61 25.807 12.267 -17.620 1.00 0.00 H new ATOM 0 HG11 VAL A 61 23.791 13.524 -18.296 1.00 0.00 H new ATOM 0 HG12 VAL A 61 24.899 13.254 -19.663 1.00 0.00 H new ATOM 0 HG13 VAL A 61 23.424 12.270 -19.504 1.00 0.00 H new ATOM 0 HG21 VAL A 61 23.672 11.902 -16.436 1.00 0.00 H new ATOM 0 HG22 VAL A 61 23.298 10.558 -17.540 1.00 0.00 H new ATOM 0 HG23 VAL A 61 24.691 10.443 -16.439 1.00 0.00 H new ATOM 937 N GLY A 62 25.567 8.405 -18.202 1.00 0.00 N ATOM 938 CA GLY A 62 26.061 7.240 -17.488 1.00 0.00 C ATOM 939 C GLY A 62 26.187 7.528 -15.990 1.00 0.00 C ATOM 940 O GLY A 62 27.266 7.873 -15.510 1.00 0.00 O ATOM 0 H GLY A 62 24.666 8.273 -18.661 1.00 0.00 H new ATOM 0 HA2 GLY A 62 25.385 6.399 -17.645 1.00 0.00 H new ATOM 0 HA3 GLY A 62 27.032 6.948 -17.889 1.00 0.00 H new ATOM 944 N HIS A 63 25.070 7.376 -15.295 1.00 0.00 N ATOM 945 CA HIS A 63 25.043 7.616 -13.862 1.00 0.00 C ATOM 946 C HIS A 63 25.794 6.496 -13.139 1.00 0.00 C ATOM 947 O HIS A 63 25.680 5.329 -13.510 1.00 0.00 O ATOM 948 CB HIS A 63 23.605 7.782 -13.366 1.00 0.00 C ATOM 949 CG HIS A 63 23.025 9.154 -13.611 1.00 0.00 C ATOM 950 ND1 HIS A 63 22.738 9.631 -14.879 1.00 0.00 N ATOM 951 CD2 HIS A 63 22.680 10.146 -12.740 1.00 0.00 C ATOM 952 CE1 HIS A 63 22.245 10.855 -14.764 1.00 0.00 C ATOM 953 NE2 HIS A 63 22.210 11.173 -13.437 1.00 0.00 N ATOM 0 H HIS A 63 24.177 7.090 -15.697 1.00 0.00 H new ATOM 0 HA HIS A 63 25.554 8.552 -13.637 1.00 0.00 H new ATOM 0 HB2 HIS A 63 22.975 7.040 -13.856 1.00 0.00 H new ATOM 0 HB3 HIS A 63 23.574 7.571 -12.297 1.00 0.00 H new ATOM 0 HD1 HIS A 63 22.882 9.126 -15.753 1.00 0.00 H new ATOM 0 HD2 HIS A 63 22.774 10.103 -11.665 1.00 0.00 H new ATOM 0 HE1 HIS A 63 21.927 11.490 -15.577 1.00 0.00 H new ATOM 961 N SER A 64 26.544 6.890 -12.121 1.00 0.00 N ATOM 962 CA SER A 64 27.313 5.933 -11.344 1.00 0.00 C ATOM 963 C SER A 64 26.407 5.235 -10.328 1.00 0.00 C ATOM 964 O SER A 64 25.264 5.644 -10.127 1.00 0.00 O ATOM 965 CB SER A 64 28.482 6.616 -10.631 1.00 0.00 C ATOM 966 OG SER A 64 29.742 6.142 -11.098 1.00 0.00 O ATOM 0 H SER A 64 26.636 7.859 -11.816 1.00 0.00 H new ATOM 0 HA SER A 64 27.723 5.189 -12.027 1.00 0.00 H new ATOM 0 HB2 SER A 64 28.421 7.693 -10.784 1.00 0.00 H new ATOM 0 HB3 SER A 64 28.404 6.442 -9.558 1.00 0.00 H new ATOM 0 HG SER A 64 30.463 6.603 -10.620 1.00 0.00 H new ATOM 972 N THR A 65 26.951 4.194 -9.715 1.00 0.00 N ATOM 973 CA THR A 65 26.205 3.436 -8.725 1.00 0.00 C ATOM 974 C THR A 65 25.602 4.373 -7.677 1.00 0.00 C ATOM 975 O THR A 65 24.423 4.263 -7.345 1.00 0.00 O ATOM 976 CB THR A 65 27.143 2.383 -8.130 1.00 0.00 C ATOM 977 OG1 THR A 65 26.917 1.225 -8.928 1.00 0.00 O ATOM 978 CG2 THR A 65 26.725 1.954 -6.722 1.00 0.00 C ATOM 0 H THR A 65 27.899 3.858 -9.885 1.00 0.00 H new ATOM 0 HA THR A 65 25.359 2.920 -9.179 1.00 0.00 H new ATOM 0 HB THR A 65 28.159 2.777 -8.102 1.00 0.00 H new ATOM 0 HG1 THR A 65 27.487 0.493 -8.612 1.00 0.00 H new ATOM 0 HG21 THR A 65 27.424 1.206 -6.347 1.00 0.00 H new ATOM 0 HG22 THR A 65 26.731 2.820 -6.061 1.00 0.00 H new ATOM 0 HG23 THR A 65 25.722 1.529 -6.754 1.00 0.00 H new ATOM 986 N ASP A 66 26.439 5.276 -7.186 1.00 0.00 N ATOM 987 CA ASP A 66 26.003 6.232 -6.183 1.00 0.00 C ATOM 988 C ASP A 66 24.599 6.728 -6.533 1.00 0.00 C ATOM 989 O ASP A 66 23.744 6.853 -5.657 1.00 0.00 O ATOM 990 CB ASP A 66 26.935 7.445 -6.137 1.00 0.00 C ATOM 991 CG ASP A 66 27.844 7.517 -4.907 1.00 0.00 C ATOM 992 OD1 ASP A 66 28.699 6.615 -4.782 1.00 0.00 O ATOM 993 OD2 ASP A 66 27.662 8.472 -4.122 1.00 0.00 O ATOM 0 H ASP A 66 27.416 5.365 -7.464 1.00 0.00 H new ATOM 0 HA ASP A 66 26.013 5.732 -5.214 1.00 0.00 H new ATOM 0 HB2 ASP A 66 27.559 7.439 -7.031 1.00 0.00 H new ATOM 0 HB3 ASP A 66 26.330 8.351 -6.176 1.00 0.00 H new ATOM 998 N ALA A 67 24.404 6.998 -7.816 1.00 0.00 N ATOM 999 CA ALA A 67 23.118 7.478 -8.293 1.00 0.00 C ATOM 1000 C ALA A 67 22.071 6.376 -8.117 1.00 0.00 C ATOM 1001 O ALA A 67 20.984 6.625 -7.597 1.00 0.00 O ATOM 1002 CB ALA A 67 23.249 7.930 -9.748 1.00 0.00 C ATOM 0 H ALA A 67 25.115 6.893 -8.540 1.00 0.00 H new ATOM 0 HA ALA A 67 22.791 8.340 -7.712 1.00 0.00 H new ATOM 0 HB1 ALA A 67 22.284 8.290 -10.105 1.00 0.00 H new ATOM 0 HB2 ALA A 67 23.983 8.733 -9.815 1.00 0.00 H new ATOM 0 HB3 ALA A 67 23.573 7.090 -10.362 1.00 0.00 H new ATOM 1008 N ARG A 68 22.435 5.181 -8.560 1.00 0.00 N ATOM 1009 CA ARG A 68 21.540 4.041 -8.458 1.00 0.00 C ATOM 1010 C ARG A 68 20.806 4.061 -7.116 1.00 0.00 C ATOM 1011 O ARG A 68 19.591 3.873 -7.065 1.00 0.00 O ATOM 1012 CB ARG A 68 22.308 2.725 -8.592 1.00 0.00 C ATOM 1013 CG ARG A 68 21.354 1.557 -8.848 1.00 0.00 C ATOM 1014 CD ARG A 68 22.095 0.368 -9.464 1.00 0.00 C ATOM 1015 NE ARG A 68 21.132 -0.546 -10.117 1.00 0.00 N ATOM 1016 CZ ARG A 68 21.453 -1.401 -11.098 1.00 0.00 C ATOM 1017 NH1 ARG A 68 22.715 -1.464 -11.544 1.00 0.00 N ATOM 1018 NH2 ARG A 68 20.513 -2.193 -11.631 1.00 0.00 N ATOM 0 H ARG A 68 23.337 4.978 -8.990 1.00 0.00 H new ATOM 0 HA ARG A 68 20.818 4.112 -9.272 1.00 0.00 H new ATOM 0 HB2 ARG A 68 23.025 2.800 -9.410 1.00 0.00 H new ATOM 0 HB3 ARG A 68 22.880 2.539 -7.683 1.00 0.00 H new ATOM 0 HG2 ARG A 68 20.886 1.253 -7.912 1.00 0.00 H new ATOM 0 HG3 ARG A 68 20.553 1.876 -9.515 1.00 0.00 H new ATOM 0 HD2 ARG A 68 22.825 0.722 -10.193 1.00 0.00 H new ATOM 0 HD3 ARG A 68 22.649 -0.166 -8.692 1.00 0.00 H new ATOM 0 HE ARG A 68 20.163 -0.524 -9.801 1.00 0.00 H new ATOM 0 HH11 ARG A 68 23.430 -0.862 -11.137 1.00 0.00 H new ATOM 0 HH12 ARG A 68 22.960 -2.114 -12.291 1.00 0.00 H new ATOM 0 HH21 ARG A 68 19.553 -2.145 -11.290 1.00 0.00 H new ATOM 0 HH22 ARG A 68 20.758 -2.844 -12.378 1.00 0.00 H new ATOM 1032 N GLU A 69 21.574 4.290 -6.061 1.00 0.00 N ATOM 1033 CA GLU A 69 21.011 4.337 -4.721 1.00 0.00 C ATOM 1034 C GLU A 69 20.050 5.520 -4.591 1.00 0.00 C ATOM 1035 O GLU A 69 18.893 5.345 -4.213 1.00 0.00 O ATOM 1036 CB GLU A 69 22.115 4.408 -3.665 1.00 0.00 C ATOM 1037 CG GLU A 69 21.638 3.830 -2.332 1.00 0.00 C ATOM 1038 CD GLU A 69 22.816 3.309 -1.506 1.00 0.00 C ATOM 1039 OE1 GLU A 69 23.670 4.148 -1.146 1.00 0.00 O ATOM 1040 OE2 GLU A 69 22.835 2.086 -1.253 1.00 0.00 O ATOM 0 H GLU A 69 22.581 4.445 -6.106 1.00 0.00 H new ATOM 0 HA GLU A 69 20.450 3.418 -4.551 1.00 0.00 H new ATOM 0 HB2 GLU A 69 22.990 3.858 -4.011 1.00 0.00 H new ATOM 0 HB3 GLU A 69 22.424 5.444 -3.526 1.00 0.00 H new ATOM 0 HG2 GLU A 69 21.106 4.597 -1.769 1.00 0.00 H new ATOM 0 HG3 GLU A 69 20.931 3.020 -2.515 1.00 0.00 H new ATOM 1047 N LEU A 70 20.565 6.698 -4.910 1.00 0.00 N ATOM 1048 CA LEU A 70 19.766 7.909 -4.833 1.00 0.00 C ATOM 1049 C LEU A 70 18.489 7.727 -5.654 1.00 0.00 C ATOM 1050 O LEU A 70 17.393 7.667 -5.098 1.00 0.00 O ATOM 1051 CB LEU A 70 20.596 9.126 -5.251 1.00 0.00 C ATOM 1052 CG LEU A 70 21.380 9.818 -4.133 1.00 0.00 C ATOM 1053 CD1 LEU A 70 21.839 8.809 -3.078 1.00 0.00 C ATOM 1054 CD2 LEU A 70 22.550 10.624 -4.702 1.00 0.00 C ATOM 0 H LEU A 70 21.526 6.840 -5.222 1.00 0.00 H new ATOM 0 HA LEU A 70 19.460 8.097 -3.804 1.00 0.00 H new ATOM 0 HB2 LEU A 70 21.300 8.814 -6.022 1.00 0.00 H new ATOM 0 HB3 LEU A 70 19.928 9.857 -5.706 1.00 0.00 H new ATOM 0 HG LEU A 70 20.714 10.523 -3.635 1.00 0.00 H new ATOM 0 HD11 LEU A 70 22.393 9.327 -2.296 1.00 0.00 H new ATOM 0 HD12 LEU A 70 20.969 8.318 -2.642 1.00 0.00 H new ATOM 0 HD13 LEU A 70 22.482 8.062 -3.544 1.00 0.00 H new ATOM 0 HD21 LEU A 70 23.090 11.106 -3.887 1.00 0.00 H new ATOM 0 HD22 LEU A 70 23.224 9.957 -5.240 1.00 0.00 H new ATOM 0 HD23 LEU A 70 22.170 11.384 -5.385 1.00 0.00 H new ATOM 1066 N SER A 71 18.671 7.641 -6.964 1.00 0.00 N ATOM 1067 CA SER A 71 17.547 7.466 -7.867 1.00 0.00 C ATOM 1068 C SER A 71 16.457 6.633 -7.189 1.00 0.00 C ATOM 1069 O SER A 71 15.317 7.079 -7.065 1.00 0.00 O ATOM 1070 CB SER A 71 17.988 6.802 -9.172 1.00 0.00 C ATOM 1071 OG SER A 71 18.893 5.726 -8.946 1.00 0.00 O ATOM 0 H SER A 71 19.581 7.689 -7.421 1.00 0.00 H new ATOM 0 HA SER A 71 17.146 8.450 -8.109 1.00 0.00 H new ATOM 0 HB2 SER A 71 17.112 6.432 -9.704 1.00 0.00 H new ATOM 0 HB3 SER A 71 18.461 7.545 -9.814 1.00 0.00 H new ATOM 0 HG SER A 71 19.725 6.074 -8.562 1.00 0.00 H new ATOM 1077 N LYS A 72 16.845 5.438 -6.768 1.00 0.00 N ATOM 1078 CA LYS A 72 15.915 4.540 -6.107 1.00 0.00 C ATOM 1079 C LYS A 72 15.307 5.245 -4.893 1.00 0.00 C ATOM 1080 O LYS A 72 14.087 5.295 -4.747 1.00 0.00 O ATOM 1081 CB LYS A 72 16.601 3.214 -5.768 1.00 0.00 C ATOM 1082 CG LYS A 72 15.770 2.407 -4.768 1.00 0.00 C ATOM 1083 CD LYS A 72 15.838 0.911 -5.080 1.00 0.00 C ATOM 1084 CE LYS A 72 15.701 0.078 -3.804 1.00 0.00 C ATOM 1085 NZ LYS A 72 16.085 -1.329 -4.059 1.00 0.00 N ATOM 0 H LYS A 72 17.791 5.071 -6.872 1.00 0.00 H new ATOM 0 HA LYS A 72 15.091 4.286 -6.774 1.00 0.00 H new ATOM 0 HB2 LYS A 72 16.747 2.633 -6.678 1.00 0.00 H new ATOM 0 HB3 LYS A 72 17.590 3.408 -5.352 1.00 0.00 H new ATOM 0 HG2 LYS A 72 16.135 2.588 -3.757 1.00 0.00 H new ATOM 0 HG3 LYS A 72 14.733 2.742 -4.798 1.00 0.00 H new ATOM 0 HD2 LYS A 72 15.045 0.645 -5.779 1.00 0.00 H new ATOM 0 HD3 LYS A 72 16.784 0.681 -5.569 1.00 0.00 H new ATOM 0 HE2 LYS A 72 16.332 0.497 -3.020 1.00 0.00 H new ATOM 0 HE3 LYS A 72 14.673 0.121 -3.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 15.986 -1.880 -3.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 15.466 -1.730 -4.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 17.073 -1.366 -4.382 1.00 0.00 H new ATOM 1099 N THR A 73 16.185 5.771 -4.052 1.00 0.00 N ATOM 1100 CA THR A 73 15.750 6.472 -2.857 1.00 0.00 C ATOM 1101 C THR A 73 14.824 7.632 -3.225 1.00 0.00 C ATOM 1102 O THR A 73 13.920 7.976 -2.464 1.00 0.00 O ATOM 1103 CB THR A 73 16.997 6.911 -2.086 1.00 0.00 C ATOM 1104 OG1 THR A 73 17.056 6.013 -0.980 1.00 0.00 O ATOM 1105 CG2 THR A 73 16.830 8.287 -1.439 1.00 0.00 C ATOM 0 H THR A 73 17.197 5.725 -4.175 1.00 0.00 H new ATOM 0 HA THR A 73 15.162 5.821 -2.210 1.00 0.00 H new ATOM 0 HB THR A 73 17.853 6.928 -2.760 1.00 0.00 H new ATOM 0 HG1 THR A 73 17.837 6.225 -0.427 1.00 0.00 H new ATOM 0 HG21 THR A 73 17.743 8.551 -0.905 1.00 0.00 H new ATOM 0 HG22 THR A 73 16.634 9.031 -2.211 1.00 0.00 H new ATOM 0 HG23 THR A 73 15.995 8.261 -0.739 1.00 0.00 H new ATOM 1113 N TYR A 74 15.079 8.204 -4.392 1.00 0.00 N ATOM 1114 CA TYR A 74 14.280 9.318 -4.871 1.00 0.00 C ATOM 1115 C TYR A 74 13.234 8.848 -5.884 1.00 0.00 C ATOM 1116 O TYR A 74 12.971 9.530 -6.873 1.00 0.00 O ATOM 1117 CB TYR A 74 15.255 10.269 -5.568 1.00 0.00 C ATOM 1118 CG TYR A 74 16.062 11.147 -4.608 1.00 0.00 C ATOM 1119 CD1 TYR A 74 17.246 10.679 -4.076 1.00 0.00 C ATOM 1120 CD2 TYR A 74 15.604 12.405 -4.275 1.00 0.00 C ATOM 1121 CE1 TYR A 74 18.004 11.505 -3.172 1.00 0.00 C ATOM 1122 CE2 TYR A 74 16.363 13.231 -3.371 1.00 0.00 C ATOM 1123 CZ TYR A 74 17.525 12.740 -2.865 1.00 0.00 C ATOM 1124 OH TYR A 74 18.243 13.520 -2.012 1.00 0.00 O ATOM 0 H TYR A 74 15.829 7.916 -5.021 1.00 0.00 H new ATOM 0 HA TYR A 74 13.751 9.793 -4.045 1.00 0.00 H new ATOM 0 HB2 TYR A 74 15.945 9.684 -6.176 1.00 0.00 H new ATOM 0 HB3 TYR A 74 14.696 10.911 -6.249 1.00 0.00 H new ATOM 0 HD1 TYR A 74 17.604 9.694 -4.337 1.00 0.00 H new ATOM 0 HD2 TYR A 74 14.677 12.770 -4.692 1.00 0.00 H new ATOM 0 HE1 TYR A 74 18.932 11.151 -2.747 1.00 0.00 H new ATOM 0 HE2 TYR A 74 16.017 14.218 -3.102 1.00 0.00 H new ATOM 0 HH TYR A 74 17.782 14.375 -1.884 1.00 0.00 H new ATOM 1134 N ILE A 75 12.667 7.684 -5.602 1.00 0.00 N ATOM 1135 CA ILE A 75 11.655 7.115 -6.477 1.00 0.00 C ATOM 1136 C ILE A 75 10.320 7.049 -5.731 1.00 0.00 C ATOM 1137 O ILE A 75 10.284 6.735 -4.542 1.00 0.00 O ATOM 1138 CB ILE A 75 12.120 5.764 -7.025 1.00 0.00 C ATOM 1139 CG1 ILE A 75 11.808 5.640 -8.517 1.00 0.00 C ATOM 1140 CG2 ILE A 75 11.523 4.610 -6.217 1.00 0.00 C ATOM 1141 CD1 ILE A 75 10.369 5.172 -8.740 1.00 0.00 C ATOM 0 H ILE A 75 12.888 7.120 -4.781 1.00 0.00 H new ATOM 0 HA ILE A 75 11.503 7.752 -7.348 1.00 0.00 H new ATOM 0 HB ILE A 75 13.203 5.707 -6.917 1.00 0.00 H new ATOM 0 HG12 ILE A 75 11.961 6.603 -9.005 1.00 0.00 H new ATOM 0 HG13 ILE A 75 12.499 4.935 -8.979 1.00 0.00 H new ATOM 0 HG21 ILE A 75 11.869 3.661 -6.627 1.00 0.00 H new ATOM 0 HG22 ILE A 75 11.839 4.693 -5.177 1.00 0.00 H new ATOM 0 HG23 ILE A 75 10.435 4.653 -6.270 1.00 0.00 H new ATOM 0 HD11 ILE A 75 10.174 5.092 -9.809 1.00 0.00 H new ATOM 0 HD12 ILE A 75 10.226 4.198 -8.272 1.00 0.00 H new ATOM 0 HD13 ILE A 75 9.680 5.892 -8.298 1.00 0.00 H new ATOM 1153 N ILE A 76 9.257 7.352 -6.461 1.00 0.00 N ATOM 1154 CA ILE A 76 7.923 7.331 -5.883 1.00 0.00 C ATOM 1155 C ILE A 76 7.041 6.371 -6.683 1.00 0.00 C ATOM 1156 O ILE A 76 6.224 5.650 -6.110 1.00 0.00 O ATOM 1157 CB ILE A 76 7.359 8.750 -5.788 1.00 0.00 C ATOM 1158 CG1 ILE A 76 6.753 9.190 -7.122 1.00 0.00 C ATOM 1159 CG2 ILE A 76 8.423 9.731 -5.292 1.00 0.00 C ATOM 1160 CD1 ILE A 76 7.836 9.698 -8.076 1.00 0.00 C ATOM 0 H ILE A 76 9.291 7.613 -7.446 1.00 0.00 H new ATOM 0 HA ILE A 76 7.956 6.956 -4.860 1.00 0.00 H new ATOM 0 HB ILE A 76 6.554 8.748 -5.053 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.224 8.353 -7.579 1.00 0.00 H new ATOM 0 HG13 ILE A 76 6.018 9.976 -6.950 1.00 0.00 H new ATOM 0 HG21 ILE A 76 7.996 10.732 -5.234 1.00 0.00 H new ATOM 0 HG22 ILE A 76 8.767 9.425 -4.304 1.00 0.00 H new ATOM 0 HG23 ILE A 76 9.265 9.735 -5.984 1.00 0.00 H new ATOM 0 HD11 ILE A 76 7.378 10.004 -9.016 1.00 0.00 H new ATOM 0 HD12 ILE A 76 8.346 10.550 -7.627 1.00 0.00 H new ATOM 0 HD13 ILE A 76 8.556 8.902 -8.266 1.00 0.00 H new ATOM 1172 N GLY A 77 7.234 6.391 -7.993 1.00 0.00 N ATOM 1173 CA GLY A 77 6.466 5.531 -8.877 1.00 0.00 C ATOM 1174 C GLY A 77 6.788 5.824 -10.344 1.00 0.00 C ATOM 1175 O GLY A 77 7.811 6.436 -10.648 1.00 0.00 O ATOM 0 H GLY A 77 7.912 6.990 -8.464 1.00 0.00 H new ATOM 0 HA2 GLY A 77 6.685 4.487 -8.655 1.00 0.00 H new ATOM 0 HA3 GLY A 77 5.401 5.678 -8.698 1.00 0.00 H new ATOM 1179 N GLU A 78 5.898 5.372 -11.213 1.00 0.00 N ATOM 1180 CA GLU A 78 6.074 5.578 -12.641 1.00 0.00 C ATOM 1181 C GLU A 78 4.874 6.329 -13.222 1.00 0.00 C ATOM 1182 O GLU A 78 3.861 6.503 -12.548 1.00 0.00 O ATOM 1183 CB GLU A 78 6.290 4.247 -13.364 1.00 0.00 C ATOM 1184 CG GLU A 78 6.865 3.194 -12.415 1.00 0.00 C ATOM 1185 CD GLU A 78 6.917 1.820 -13.087 1.00 0.00 C ATOM 1186 OE1 GLU A 78 6.918 1.800 -14.336 1.00 0.00 O ATOM 1187 OE2 GLU A 78 6.955 0.822 -12.335 1.00 0.00 O ATOM 0 H GLU A 78 5.052 4.863 -10.957 1.00 0.00 H new ATOM 0 HA GLU A 78 6.966 6.186 -12.793 1.00 0.00 H new ATOM 0 HB2 GLU A 78 5.344 3.894 -13.774 1.00 0.00 H new ATOM 0 HB3 GLU A 78 6.968 4.392 -14.205 1.00 0.00 H new ATOM 0 HG2 GLU A 78 7.867 3.489 -12.103 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.254 3.139 -11.514 1.00 0.00 H new ATOM 1194 N LEU A 79 5.030 6.754 -14.467 1.00 0.00 N ATOM 1195 CA LEU A 79 3.971 7.482 -15.146 1.00 0.00 C ATOM 1196 C LEU A 79 3.281 6.555 -16.149 1.00 0.00 C ATOM 1197 O LEU A 79 3.906 5.642 -16.686 1.00 0.00 O ATOM 1198 CB LEU A 79 4.520 8.765 -15.773 1.00 0.00 C ATOM 1199 CG LEU A 79 5.130 8.622 -17.169 1.00 0.00 C ATOM 1200 CD1 LEU A 79 6.216 7.544 -17.186 1.00 0.00 C ATOM 1201 CD2 LEU A 79 4.046 8.359 -18.216 1.00 0.00 C ATOM 0 H LEU A 79 5.873 6.609 -15.023 1.00 0.00 H new ATOM 0 HA LEU A 79 3.212 7.802 -14.432 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.712 9.495 -15.824 1.00 0.00 H new ATOM 0 HB3 LEU A 79 5.279 9.175 -15.107 1.00 0.00 H new ATOM 0 HG LEU A 79 5.609 9.566 -17.430 1.00 0.00 H new ATOM 0 HD11 LEU A 79 6.633 7.463 -18.190 1.00 0.00 H new ATOM 0 HD12 LEU A 79 7.007 7.813 -16.486 1.00 0.00 H new ATOM 0 HD13 LEU A 79 5.783 6.587 -16.895 1.00 0.00 H new ATOM 0 HD21 LEU A 79 4.506 8.261 -19.199 1.00 0.00 H new ATOM 0 HD22 LEU A 79 3.518 7.438 -17.969 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.341 9.190 -18.226 1.00 0.00 H new ATOM 1213 N HIS A 80 2.003 6.822 -16.371 1.00 0.00 N ATOM 1214 CA HIS A 80 1.221 6.022 -17.299 1.00 0.00 C ATOM 1215 C HIS A 80 2.082 5.654 -18.510 1.00 0.00 C ATOM 1216 O HIS A 80 2.413 6.515 -19.325 1.00 0.00 O ATOM 1217 CB HIS A 80 -0.069 6.746 -17.687 1.00 0.00 C ATOM 1218 CG HIS A 80 -1.280 5.847 -17.753 1.00 0.00 C ATOM 1219 ND1 HIS A 80 -2.449 6.211 -18.400 1.00 0.00 N ATOM 1220 CD2 HIS A 80 -1.493 4.599 -17.249 1.00 0.00 C ATOM 1221 CE1 HIS A 80 -3.319 5.220 -18.283 1.00 0.00 C ATOM 1222 NE2 HIS A 80 -2.724 4.220 -17.568 1.00 0.00 N ATOM 0 H HIS A 80 1.489 7.581 -15.924 1.00 0.00 H new ATOM 0 HA HIS A 80 0.916 5.093 -16.817 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -0.258 7.541 -16.966 1.00 0.00 H new ATOM 0 HB3 HIS A 80 0.071 7.222 -18.658 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -0.780 4.016 -16.685 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -4.322 5.205 -18.682 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -3.155 3.329 -17.320 1.00 0.00 H new