USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 630 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 1 GLY N :NH3+ 148:sc= 1.12 (180deg=0.626) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.315 X(o=-0.31,f=-0.44) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 20 HIS : no HD1:sc= -0.0498 X(o=-0.05,f=-0.031) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 73:sc= 1.22 USER MOD Single : A 33 HIS : no HD1:sc= -1.84! C(o=-1.8!,f=-3.6!) USER MOD Single : A 35 HIS : no HD1:sc= -0.162 X(o=-0.16,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 152:sc= -0.247 (180deg=-0.503) USER MOD Single : A 38 LYS NZ :NH3+ 178:sc= 2.42 (180deg=2.22) USER MOD Single : A 43 LYS NZ :NH3+ 178:sc= 0.858 (180deg=0.806) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 170:sc=-0.00897 (180deg=-0.111) USER MOD Single : A 53 GLN :FLIP amide:sc= 0 F(o=-0.99,f=0) USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 1.09 K(o=1.1,f=-0.002) USER MOD Single : A 66 LYS NZ :NH3+ -157:sc= 1.33 (180deg=1.12) USER MOD Single : A 71 LYS NZ :NH3+ -173:sc= 1.29 (180deg=1.19) USER MOD Single : A 73 LYS NZ :NH3+ -159:sc= 1.24 (180deg=0.453) USER MOD Single : A 77 GLN : amide:sc= -0.0988 X(o=-0.099,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.871 -20.498 -9.657 1.00 0.00 N ATOM 2 CA GLY A 1 -3.857 -19.574 -10.248 1.00 0.00 C ATOM 3 C GLY A 1 -5.152 -20.273 -10.570 1.00 0.00 C ATOM 4 O GLY A 1 -5.597 -21.145 -9.819 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.912 -20.206 -9.934 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.954 -20.477 -8.620 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.051 -21.463 -9.999 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.048 -18.754 -9.556 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.445 -19.134 -11.156 1.00 0.00 H new ATOM 10 N SER A 2 -5.760 -19.902 -11.681 1.00 0.00 N ATOM 11 CA SER A 2 -7.000 -20.508 -12.106 1.00 0.00 C ATOM 12 C SER A 2 -6.853 -21.151 -13.489 1.00 0.00 C ATOM 13 O SER A 2 -7.755 -21.841 -13.955 1.00 0.00 O ATOM 14 CB SER A 2 -8.122 -19.467 -12.116 1.00 0.00 C ATOM 15 OG SER A 2 -8.248 -18.841 -10.845 1.00 0.00 O ATOM 0 H SER A 2 -5.409 -19.178 -12.307 1.00 0.00 H new ATOM 0 HA SER A 2 -7.256 -21.294 -11.395 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.918 -18.714 -12.877 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.064 -19.945 -12.385 1.00 0.00 H new ATOM 0 HG SER A 2 -8.970 -18.179 -10.877 1.00 0.00 H new ATOM 21 N VAL A 3 -5.698 -20.945 -14.134 1.00 0.00 N ATOM 22 CA VAL A 3 -5.465 -21.512 -15.464 1.00 0.00 C ATOM 23 C VAL A 3 -5.220 -23.013 -15.380 1.00 0.00 C ATOM 24 O VAL A 3 -5.417 -23.742 -16.352 1.00 0.00 O ATOM 25 CB VAL A 3 -4.289 -20.828 -16.219 1.00 0.00 C ATOM 26 CG1 VAL A 3 -4.606 -19.371 -16.499 1.00 0.00 C ATOM 27 CG2 VAL A 3 -2.986 -20.950 -15.444 1.00 0.00 C ATOM 0 H VAL A 3 -4.922 -20.398 -13.762 1.00 0.00 H new ATOM 0 HA VAL A 3 -6.373 -21.322 -16.037 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.162 -21.345 -17.170 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -3.770 -18.912 -17.027 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -5.504 -19.306 -17.113 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -4.772 -18.847 -15.558 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.185 -20.462 -15.999 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -3.096 -20.473 -14.470 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -2.742 -22.003 -15.306 1.00 0.00 H new ATOM 37 N GLU A 4 -4.789 -23.469 -14.212 1.00 0.00 N ATOM 38 CA GLU A 4 -4.562 -24.887 -13.981 1.00 0.00 C ATOM 39 C GLU A 4 -5.874 -25.562 -13.604 1.00 0.00 C ATOM 40 O GLU A 4 -5.958 -26.786 -13.515 1.00 0.00 O ATOM 41 CB GLU A 4 -3.540 -25.111 -12.852 1.00 0.00 C ATOM 42 CG GLU A 4 -2.383 -24.122 -12.832 1.00 0.00 C ATOM 43 CD GLU A 4 -2.684 -22.889 -11.998 1.00 0.00 C ATOM 44 OE1 GLU A 4 -3.314 -21.949 -12.514 1.00 0.00 O ATOM 45 OE2 GLU A 4 -2.286 -22.855 -10.819 1.00 0.00 O1- ATOM 0 H GLU A 4 -4.589 -22.874 -13.408 1.00 0.00 H new ATOM 0 HA GLU A 4 -4.167 -25.319 -14.900 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -4.060 -25.060 -11.895 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.136 -26.119 -12.942 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -1.495 -24.615 -12.437 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.152 -23.818 -13.853 1.00 0.00 H new ATOM 52 N LYS A 5 -6.893 -24.749 -13.377 1.00 0.00 N ATOM 53 CA LYS A 5 -8.199 -25.238 -12.976 1.00 0.00 C ATOM 54 C LYS A 5 -9.264 -24.815 -13.975 1.00 0.00 C ATOM 55 O LYS A 5 -10.427 -24.637 -13.616 1.00 0.00 O ATOM 56 CB LYS A 5 -8.556 -24.710 -11.586 1.00 0.00 C ATOM 57 CG LYS A 5 -7.670 -25.245 -10.477 1.00 0.00 C ATOM 58 CD LYS A 5 -8.093 -24.697 -9.128 1.00 0.00 C ATOM 59 CE LYS A 5 -7.285 -25.309 -8.002 1.00 0.00 C ATOM 60 NZ LYS A 5 -7.707 -24.791 -6.680 1.00 0.00 N1+ ATOM 0 H LYS A 5 -6.837 -23.734 -13.466 1.00 0.00 H new ATOM 0 HA LYS A 5 -8.160 -26.327 -12.948 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -8.493 -23.622 -11.595 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -9.592 -24.967 -11.366 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -7.718 -26.334 -10.462 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -6.633 -24.975 -10.674 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -7.969 -23.614 -9.119 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -9.152 -24.898 -8.968 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -7.398 -26.393 -8.021 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -6.227 -25.096 -8.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -7.132 -25.232 -5.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -7.576 -23.760 -6.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -8.710 -25.017 -6.523 1.00 0.00 H new ATOM 74 N LEU A 6 -8.872 -24.679 -15.239 1.00 0.00 N ATOM 75 CA LEU A 6 -9.809 -24.283 -16.292 1.00 0.00 C ATOM 76 C LEU A 6 -10.890 -25.333 -16.493 1.00 0.00 C ATOM 77 O LEU A 6 -11.915 -25.064 -17.092 1.00 0.00 O ATOM 78 CB LEU A 6 -9.090 -24.010 -17.614 1.00 0.00 C ATOM 79 CG LEU A 6 -8.159 -22.800 -17.627 1.00 0.00 C ATOM 80 CD1 LEU A 6 -7.519 -22.643 -18.989 1.00 0.00 C ATOM 81 CD2 LEU A 6 -8.913 -21.532 -17.243 1.00 0.00 C ATOM 0 H LEU A 6 -7.917 -24.836 -15.560 1.00 0.00 H new ATOM 0 HA LEU A 6 -10.281 -23.357 -15.964 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -8.510 -24.894 -17.879 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -9.841 -23.876 -18.393 1.00 0.00 H new ATOM 0 HG LEU A 6 -7.373 -22.965 -16.890 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -6.858 -21.776 -18.983 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -6.942 -23.537 -19.225 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -8.295 -22.502 -19.742 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -8.229 -20.683 -17.259 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -9.722 -21.360 -17.953 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -9.328 -21.645 -16.241 1.00 0.00 H new ATOM 93 N THR A 7 -10.651 -26.531 -15.994 1.00 0.00 N ATOM 94 CA THR A 7 -11.636 -27.596 -16.061 1.00 0.00 C ATOM 95 C THR A 7 -12.788 -27.302 -15.091 1.00 0.00 C ATOM 96 O THR A 7 -13.885 -27.852 -15.209 1.00 0.00 O ATOM 97 CB THR A 7 -10.989 -28.951 -15.720 1.00 0.00 C ATOM 98 OG1 THR A 7 -9.782 -29.094 -16.483 1.00 0.00 O ATOM 99 CG2 THR A 7 -11.927 -30.105 -16.052 1.00 0.00 C ATOM 0 H THR A 7 -9.778 -26.793 -15.535 1.00 0.00 H new ATOM 0 HA THR A 7 -12.028 -27.647 -17.077 1.00 0.00 H new ATOM 0 HB THR A 7 -10.775 -28.976 -14.652 1.00 0.00 H new ATOM 0 HG1 THR A 7 -9.361 -29.953 -16.272 1.00 0.00 H new ATOM 0 HG21 THR A 7 -11.445 -31.050 -15.801 1.00 0.00 H new ATOM 0 HG22 THR A 7 -12.847 -30.003 -15.476 1.00 0.00 H new ATOM 0 HG23 THR A 7 -12.161 -30.089 -17.116 1.00 0.00 H new ATOM 107 N ALA A 8 -12.530 -26.404 -14.156 1.00 0.00 N ATOM 108 CA ALA A 8 -13.519 -25.991 -13.177 1.00 0.00 C ATOM 109 C ALA A 8 -13.973 -24.567 -13.475 1.00 0.00 C ATOM 110 O ALA A 8 -14.452 -23.855 -12.593 1.00 0.00 O ATOM 111 CB ALA A 8 -12.939 -26.082 -11.766 1.00 0.00 C ATOM 0 H ALA A 8 -11.627 -25.940 -14.055 1.00 0.00 H new ATOM 0 HA ALA A 8 -14.380 -26.657 -13.237 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -13.692 -25.769 -11.042 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.643 -27.111 -11.560 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -12.068 -25.431 -11.688 1.00 0.00 H new ATOM 117 N ASP A 9 -13.836 -24.169 -14.742 1.00 0.00 N ATOM 118 CA ASP A 9 -14.182 -22.816 -15.193 1.00 0.00 C ATOM 119 C ASP A 9 -15.625 -22.456 -14.857 1.00 0.00 C ATOM 120 O ASP A 9 -15.902 -21.338 -14.420 1.00 0.00 O ATOM 121 CB ASP A 9 -13.937 -22.659 -16.705 1.00 0.00 C ATOM 122 CG ASP A 9 -14.846 -23.537 -17.551 1.00 0.00 C ATOM 123 OD1 ASP A 9 -14.707 -24.772 -17.496 1.00 0.00 O ATOM 124 OD2 ASP A 9 -15.704 -22.993 -18.283 1.00 0.00 O1- ATOM 0 H ASP A 9 -13.483 -24.773 -15.484 1.00 0.00 H new ATOM 0 HA ASP A 9 -13.531 -22.126 -14.656 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -14.086 -21.616 -16.985 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -12.898 -22.903 -16.926 1.00 0.00 H new ATOM 129 N ALA A 10 -16.537 -23.403 -15.036 1.00 0.00 N ATOM 130 CA ALA A 10 -17.950 -23.150 -14.753 1.00 0.00 C ATOM 131 C ALA A 10 -18.177 -22.961 -13.256 1.00 0.00 C ATOM 132 O ALA A 10 -19.049 -22.194 -12.842 1.00 0.00 O ATOM 133 CB ALA A 10 -18.849 -24.261 -15.314 1.00 0.00 C ATOM 0 H ALA A 10 -16.331 -24.344 -15.372 1.00 0.00 H new ATOM 0 HA ALA A 10 -18.227 -22.225 -15.259 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -19.891 -24.037 -15.084 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -18.721 -24.321 -16.395 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -18.574 -25.214 -14.862 1.00 0.00 H new ATOM 139 N GLU A 11 -17.368 -23.635 -12.447 1.00 0.00 N ATOM 140 CA GLU A 11 -17.475 -23.529 -11.004 1.00 0.00 C ATOM 141 C GLU A 11 -16.887 -22.209 -10.540 1.00 0.00 C ATOM 142 O GLU A 11 -17.437 -21.546 -9.654 1.00 0.00 O ATOM 143 CB GLU A 11 -16.770 -24.702 -10.297 1.00 0.00 C ATOM 144 CG GLU A 11 -17.362 -26.080 -10.599 1.00 0.00 C ATOM 145 CD GLU A 11 -16.953 -26.632 -11.953 1.00 0.00 C ATOM 146 OE1 GLU A 11 -15.964 -27.382 -12.016 1.00 0.00 O ATOM 147 OE2 GLU A 11 -17.626 -26.325 -12.958 1.00 0.00 O1- ATOM 0 H GLU A 11 -16.630 -24.261 -12.771 1.00 0.00 H new ATOM 0 HA GLU A 11 -18.532 -23.569 -10.740 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -15.719 -24.702 -10.584 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -16.806 -24.534 -9.221 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -17.051 -26.778 -9.822 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -18.449 -26.017 -10.555 1.00 0.00 H new ATOM 154 N LEU A 12 -15.771 -21.827 -11.153 1.00 0.00 N ATOM 155 CA LEU A 12 -15.111 -20.565 -10.846 1.00 0.00 C ATOM 156 C LEU A 12 -16.031 -19.398 -11.166 1.00 0.00 C ATOM 157 O LEU A 12 -16.156 -18.457 -10.379 1.00 0.00 O ATOM 158 CB LEU A 12 -13.804 -20.431 -11.637 1.00 0.00 C ATOM 159 CG LEU A 12 -12.735 -21.489 -11.353 1.00 0.00 C ATOM 160 CD1 LEU A 12 -11.542 -21.300 -12.274 1.00 0.00 C ATOM 161 CD2 LEU A 12 -12.297 -21.430 -9.897 1.00 0.00 C ATOM 0 H LEU A 12 -15.302 -22.379 -11.871 1.00 0.00 H new ATOM 0 HA LEU A 12 -14.877 -20.552 -9.781 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -14.042 -20.460 -12.700 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -13.378 -19.449 -11.432 1.00 0.00 H new ATOM 0 HG LEU A 12 -13.166 -22.472 -11.543 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -10.792 -22.061 -12.058 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -11.865 -21.392 -13.311 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.112 -20.311 -12.115 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -11.537 -22.190 -9.715 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -11.884 -20.445 -9.681 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -13.156 -21.614 -9.251 1.00 0.00 H new ATOM 173 N GLN A 13 -16.686 -19.473 -12.323 1.00 0.00 N ATOM 174 CA GLN A 13 -17.612 -18.425 -12.741 1.00 0.00 C ATOM 175 C GLN A 13 -18.839 -18.402 -11.851 1.00 0.00 C ATOM 176 O GLN A 13 -19.324 -17.332 -11.485 1.00 0.00 O ATOM 177 CB GLN A 13 -18.026 -18.582 -14.212 1.00 0.00 C ATOM 178 CG GLN A 13 -16.889 -18.382 -15.204 1.00 0.00 C ATOM 179 CD GLN A 13 -16.132 -17.088 -14.972 1.00 0.00 C ATOM 180 OE1 GLN A 13 -15.148 -17.057 -14.233 1.00 0.00 O ATOM 181 NE2 GLN A 13 -16.579 -16.017 -15.593 1.00 0.00 N ATOM 0 H GLN A 13 -16.593 -20.244 -12.984 1.00 0.00 H new ATOM 0 HA GLN A 13 -17.087 -17.475 -12.642 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -18.447 -19.577 -14.355 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -18.817 -17.866 -14.434 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -16.197 -19.221 -15.132 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -17.291 -18.387 -16.217 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -17.398 -16.083 -16.198 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -16.106 -15.122 -15.470 1.00 0.00 H new ATOM 190 N ARG A 14 -19.335 -19.584 -11.489 1.00 0.00 N ATOM 191 CA ARG A 14 -20.499 -19.674 -10.609 1.00 0.00 C ATOM 192 C ARG A 14 -20.191 -19.030 -9.266 1.00 0.00 C ATOM 193 O ARG A 14 -20.993 -18.277 -8.733 1.00 0.00 O ATOM 194 CB ARG A 14 -20.948 -21.128 -10.391 1.00 0.00 C ATOM 195 CG ARG A 14 -22.178 -21.238 -9.507 1.00 0.00 C ATOM 196 CD ARG A 14 -22.504 -22.676 -9.155 1.00 0.00 C ATOM 197 NE ARG A 14 -23.665 -22.759 -8.266 1.00 0.00 N ATOM 198 CZ ARG A 14 -23.714 -23.479 -7.143 1.00 0.00 C ATOM 199 NH1 ARG A 14 -22.663 -24.197 -6.759 1.00 0.00 N1+ ATOM 200 NH2 ARG A 14 -24.818 -23.482 -6.401 1.00 0.00 N ATOM 0 H ARG A 14 -18.955 -20.482 -11.787 1.00 0.00 H new ATOM 0 HA ARG A 14 -21.315 -19.142 -11.097 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -21.158 -21.587 -11.357 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -20.131 -21.692 -9.941 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -22.017 -20.669 -8.591 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -23.030 -20.788 -10.016 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -22.701 -23.240 -10.067 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -21.642 -23.139 -8.674 1.00 0.00 H new ATOM 0 HE ARG A 14 -24.497 -22.228 -8.524 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -21.813 -24.200 -7.323 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -22.706 -24.745 -5.900 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -25.628 -22.934 -6.690 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -24.854 -24.033 -5.543 1.00 0.00 H new ATOM 214 N LEU A 15 -19.009 -19.319 -8.740 1.00 0.00 N ATOM 215 CA LEU A 15 -18.588 -18.760 -7.456 1.00 0.00 C ATOM 216 C LEU A 15 -18.401 -17.246 -7.561 1.00 0.00 C ATOM 217 O LEU A 15 -18.646 -16.515 -6.603 1.00 0.00 O ATOM 218 CB LEU A 15 -17.290 -19.434 -6.945 1.00 0.00 C ATOM 219 CG LEU A 15 -16.727 -18.886 -5.626 1.00 0.00 C ATOM 220 CD1 LEU A 15 -17.716 -19.088 -4.490 1.00 0.00 C ATOM 221 CD2 LEU A 15 -15.396 -19.547 -5.304 1.00 0.00 C ATOM 0 H LEU A 15 -18.324 -19.935 -9.178 1.00 0.00 H new ATOM 0 HA LEU A 15 -19.377 -18.963 -6.732 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -17.481 -20.500 -6.822 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -16.524 -19.334 -7.714 1.00 0.00 H new ATOM 0 HG LEU A 15 -16.562 -17.815 -5.742 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -17.295 -18.692 -3.566 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -18.645 -18.565 -4.719 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -17.919 -20.152 -4.369 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -15.009 -19.148 -4.366 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -15.538 -20.624 -5.210 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -14.685 -19.344 -6.105 1.00 0.00 H new ATOM 233 N LYS A 16 -17.998 -16.780 -8.736 1.00 0.00 N ATOM 234 CA LYS A 16 -17.771 -15.364 -8.946 1.00 0.00 C ATOM 235 C LYS A 16 -19.099 -14.625 -9.047 1.00 0.00 C ATOM 236 O LYS A 16 -19.240 -13.507 -8.552 1.00 0.00 O ATOM 237 CB LYS A 16 -16.938 -15.133 -10.207 1.00 0.00 C ATOM 238 CG LYS A 16 -16.350 -13.739 -10.306 1.00 0.00 C ATOM 239 CD LYS A 16 -15.528 -13.573 -11.568 1.00 0.00 C ATOM 240 CE LYS A 16 -14.796 -12.242 -11.581 1.00 0.00 C ATOM 241 NZ LYS A 16 -14.051 -12.038 -12.844 1.00 0.00 N1+ ATOM 0 H LYS A 16 -17.823 -17.364 -9.554 1.00 0.00 H new ATOM 0 HA LYS A 16 -17.217 -14.974 -8.092 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -16.128 -15.862 -10.234 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -17.562 -15.317 -11.082 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -17.153 -13.002 -10.294 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -15.725 -13.544 -9.435 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -14.807 -14.387 -11.644 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -16.179 -13.641 -12.440 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -15.512 -11.432 -11.446 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -14.104 -12.199 -10.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -13.564 -11.119 -12.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -13.350 -12.797 -12.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -14.714 -12.054 -13.645 1.00 0.00 H new ATOM 255 N ASN A 17 -20.074 -15.261 -9.685 1.00 0.00 N ATOM 256 CA ASN A 17 -21.402 -14.671 -9.823 1.00 0.00 C ATOM 257 C ASN A 17 -22.181 -14.796 -8.522 1.00 0.00 C ATOM 258 O ASN A 17 -23.004 -13.938 -8.198 1.00 0.00 O ATOM 259 CB ASN A 17 -22.192 -15.302 -10.987 1.00 0.00 C ATOM 260 CG ASN A 17 -21.584 -15.009 -12.348 1.00 0.00 C ATOM 261 OD1 ASN A 17 -20.947 -13.970 -12.554 1.00 0.00 O ATOM 262 ND2 ASN A 17 -21.783 -15.915 -13.288 1.00 0.00 N ATOM 0 H ASN A 17 -19.972 -16.181 -10.114 1.00 0.00 H new ATOM 0 HA ASN A 17 -21.267 -13.614 -10.053 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -22.241 -16.381 -10.842 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -23.217 -14.931 -10.966 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -21.405 -15.770 -14.224 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -22.315 -16.760 -13.078 1.00 0.00 H new ATOM 269 N GLU A 18 -21.906 -15.859 -7.766 1.00 0.00 N ATOM 270 CA GLU A 18 -22.567 -16.074 -6.479 1.00 0.00 C ATOM 271 C GLU A 18 -22.088 -15.033 -5.477 1.00 0.00 C ATOM 272 O GLU A 18 -22.841 -14.595 -4.599 1.00 0.00 O ATOM 273 CB GLU A 18 -22.313 -17.500 -5.951 1.00 0.00 C ATOM 274 CG GLU A 18 -23.054 -17.821 -4.663 1.00 0.00 C ATOM 275 CD GLU A 18 -22.890 -19.263 -4.243 1.00 0.00 C ATOM 276 OE1 GLU A 18 -23.806 -20.070 -4.505 1.00 0.00 O ATOM 277 OE2 GLU A 18 -21.845 -19.602 -3.648 1.00 0.00 O1- ATOM 0 H GLU A 18 -21.233 -16.582 -8.021 1.00 0.00 H new ATOM 0 HA GLU A 18 -23.643 -15.965 -6.619 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -22.607 -18.218 -6.716 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -21.244 -17.631 -5.786 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -22.690 -17.171 -3.867 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -24.114 -17.603 -4.794 1.00 0.00 H new ATOM 284 N ARG A 19 -20.832 -14.633 -5.616 1.00 0.00 N ATOM 285 CA ARG A 19 -20.273 -13.590 -4.777 1.00 0.00 C ATOM 286 C ARG A 19 -20.647 -12.226 -5.322 1.00 0.00 C ATOM 287 O ARG A 19 -19.863 -11.578 -6.010 1.00 0.00 O ATOM 288 CB ARG A 19 -18.750 -13.715 -4.659 1.00 0.00 C ATOM 289 CG ARG A 19 -18.296 -14.931 -3.880 1.00 0.00 C ATOM 290 CD ARG A 19 -16.780 -15.040 -3.842 1.00 0.00 C ATOM 291 NE ARG A 19 -16.143 -13.813 -3.343 1.00 0.00 N ATOM 292 CZ ARG A 19 -15.931 -13.534 -2.055 1.00 0.00 C ATOM 293 NH1 ARG A 19 -16.360 -14.363 -1.105 1.00 0.00 N1+ ATOM 294 NH2 ARG A 19 -15.302 -12.419 -1.721 1.00 0.00 N ATOM 0 H ARG A 19 -20.183 -15.017 -6.303 1.00 0.00 H new ATOM 0 HA ARG A 19 -20.693 -13.705 -3.778 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -18.319 -13.754 -5.660 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -18.357 -12.819 -4.178 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -18.683 -14.877 -2.862 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -18.714 -15.830 -4.332 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -16.494 -15.879 -3.207 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -16.409 -15.258 -4.843 1.00 0.00 H new ATOM 0 HE ARG A 19 -15.841 -13.124 -4.032 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -16.854 -15.218 -1.359 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -16.194 -14.143 -0.123 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -14.982 -11.777 -2.446 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -15.137 -12.201 -0.738 1.00 0.00 H new ATOM 308 N HIS A 20 -21.860 -11.803 -5.029 1.00 0.00 N ATOM 309 CA HIS A 20 -22.353 -10.511 -5.505 1.00 0.00 C ATOM 310 C HIS A 20 -21.960 -9.418 -4.519 1.00 0.00 C ATOM 311 O HIS A 20 -22.137 -8.228 -4.780 1.00 0.00 O ATOM 312 CB HIS A 20 -23.882 -10.553 -5.698 1.00 0.00 C ATOM 313 CG HIS A 20 -24.449 -9.347 -6.389 1.00 0.00 C ATOM 314 ND1 HIS A 20 -25.271 -8.439 -5.761 1.00 0.00 N ATOM 315 CD2 HIS A 20 -24.323 -8.912 -7.666 1.00 0.00 C ATOM 316 CE1 HIS A 20 -25.624 -7.502 -6.621 1.00 0.00 C ATOM 317 NE2 HIS A 20 -25.061 -7.767 -7.777 1.00 0.00 N ATOM 0 H HIS A 20 -22.528 -12.329 -4.465 1.00 0.00 H new ATOM 0 HA HIS A 20 -21.900 -10.291 -6.472 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -24.140 -11.442 -6.273 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -24.357 -10.656 -4.722 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -23.747 -9.382 -8.450 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -26.267 -6.660 -6.410 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -25.159 -7.207 -8.624 1.00 0.00 H new ATOM 325 N GLU A 21 -21.404 -9.846 -3.390 1.00 0.00 N ATOM 326 CA GLU A 21 -20.956 -8.941 -2.339 1.00 0.00 C ATOM 327 C GLU A 21 -19.982 -7.913 -2.892 1.00 0.00 C ATOM 328 O GLU A 21 -20.158 -6.713 -2.707 1.00 0.00 O ATOM 329 CB GLU A 21 -20.265 -9.729 -1.225 1.00 0.00 C ATOM 330 CG GLU A 21 -21.082 -10.882 -0.683 1.00 0.00 C ATOM 331 CD GLU A 21 -20.364 -11.634 0.412 1.00 0.00 C ATOM 332 OE1 GLU A 21 -20.615 -11.344 1.599 1.00 0.00 O ATOM 333 OE2 GLU A 21 -19.547 -12.519 0.093 1.00 0.00 O1- ATOM 0 H GLU A 21 -21.251 -10.832 -3.178 1.00 0.00 H new ATOM 0 HA GLU A 21 -21.832 -8.428 -1.941 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -19.318 -10.115 -1.602 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -20.029 -9.049 -0.407 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -22.029 -10.503 -0.299 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -21.320 -11.569 -1.496 1.00 0.00 H new ATOM 340 N GLU A 22 -18.967 -8.399 -3.598 1.00 0.00 N ATOM 341 CA GLU A 22 -17.927 -7.541 -4.143 1.00 0.00 C ATOM 342 C GLU A 22 -18.473 -6.571 -5.191 1.00 0.00 C ATOM 343 O GLU A 22 -17.969 -5.463 -5.330 1.00 0.00 O ATOM 344 CB GLU A 22 -16.776 -8.380 -4.706 1.00 0.00 C ATOM 345 CG GLU A 22 -16.117 -9.264 -3.657 1.00 0.00 C ATOM 346 CD GLU A 22 -14.933 -10.033 -4.189 1.00 0.00 C ATOM 347 OE1 GLU A 22 -13.898 -9.408 -4.490 1.00 0.00 O ATOM 348 OE2 GLU A 22 -15.015 -11.277 -4.274 1.00 0.00 O1- ATOM 0 H GLU A 22 -18.844 -9.390 -3.806 1.00 0.00 H new ATOM 0 HA GLU A 22 -17.540 -6.934 -3.325 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -17.152 -9.005 -5.516 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -16.026 -7.716 -5.137 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -15.794 -8.645 -2.820 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -16.854 -9.967 -3.268 1.00 0.00 H new ATOM 355 N ALA A 23 -19.532 -6.972 -5.892 1.00 0.00 N ATOM 356 CA ALA A 23 -20.142 -6.103 -6.904 1.00 0.00 C ATOM 357 C ALA A 23 -20.840 -4.921 -6.235 1.00 0.00 C ATOM 358 O ALA A 23 -20.977 -3.849 -6.822 1.00 0.00 O ATOM 359 CB ALA A 23 -21.118 -6.878 -7.801 1.00 0.00 C ATOM 0 H ALA A 23 -19.983 -7.880 -5.782 1.00 0.00 H new ATOM 0 HA ALA A 23 -19.346 -5.723 -7.544 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -21.550 -6.201 -8.538 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -20.584 -7.679 -8.312 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -21.913 -7.305 -7.190 1.00 0.00 H new ATOM 365 N GLU A 24 -21.263 -5.125 -4.995 1.00 0.00 N ATOM 366 CA GLU A 24 -21.901 -4.073 -4.224 1.00 0.00 C ATOM 367 C GLU A 24 -20.844 -3.246 -3.508 1.00 0.00 C ATOM 368 O GLU A 24 -20.992 -2.031 -3.337 1.00 0.00 O ATOM 369 CB GLU A 24 -22.882 -4.663 -3.203 1.00 0.00 C ATOM 370 CG GLU A 24 -24.047 -5.417 -3.825 1.00 0.00 C ATOM 371 CD GLU A 24 -24.929 -4.521 -4.664 1.00 0.00 C ATOM 372 OE1 GLU A 24 -25.678 -3.707 -4.086 1.00 0.00 O ATOM 373 OE2 GLU A 24 -24.886 -4.620 -5.906 1.00 0.00 O1- ATOM 0 H GLU A 24 -21.174 -6.014 -4.502 1.00 0.00 H new ATOM 0 HA GLU A 24 -22.460 -3.434 -4.908 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -22.339 -5.337 -2.541 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -23.274 -3.856 -2.584 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -23.663 -6.228 -4.444 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -24.644 -5.874 -3.036 1.00 0.00 H new ATOM 380 N LEU A 25 -19.769 -3.911 -3.099 1.00 0.00 N ATOM 381 CA LEU A 25 -18.684 -3.249 -2.392 1.00 0.00 C ATOM 382 C LEU A 25 -17.979 -2.236 -3.284 1.00 0.00 C ATOM 383 O LEU A 25 -17.583 -1.175 -2.816 1.00 0.00 O ATOM 384 CB LEU A 25 -17.676 -4.269 -1.822 1.00 0.00 C ATOM 385 CG LEU A 25 -18.239 -5.266 -0.807 1.00 0.00 C ATOM 386 CD1 LEU A 25 -17.151 -6.214 -0.332 1.00 0.00 C ATOM 387 CD2 LEU A 25 -18.866 -4.538 0.371 1.00 0.00 C ATOM 0 H LEU A 25 -19.628 -4.910 -3.246 1.00 0.00 H new ATOM 0 HA LEU A 25 -19.126 -2.711 -1.553 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -17.246 -4.829 -2.652 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -16.860 -3.721 -1.350 1.00 0.00 H new ATOM 0 HG LEU A 25 -19.016 -5.852 -1.298 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -17.569 -6.916 0.389 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -16.751 -6.764 -1.184 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -16.351 -5.643 0.139 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -19.260 -5.266 1.080 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -18.112 -3.924 0.862 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -19.677 -3.902 0.016 1.00 0.00 H new ATOM 399 N GLU A 26 -17.851 -2.546 -4.581 1.00 0.00 N ATOM 400 CA GLU A 26 -17.190 -1.637 -5.515 1.00 0.00 C ATOM 401 C GLU A 26 -17.965 -0.331 -5.617 1.00 0.00 C ATOM 402 O GLU A 26 -17.381 0.749 -5.732 1.00 0.00 O ATOM 403 CB GLU A 26 -17.038 -2.280 -6.900 1.00 0.00 C ATOM 404 CG GLU A 26 -16.155 -3.521 -6.904 1.00 0.00 C ATOM 405 CD GLU A 26 -15.962 -4.105 -8.289 1.00 0.00 C ATOM 406 OE1 GLU A 26 -14.973 -3.736 -8.961 1.00 0.00 O ATOM 407 OE2 GLU A 26 -16.783 -4.943 -8.710 1.00 0.00 O1- ATOM 0 H GLU A 26 -18.194 -3.411 -5.000 1.00 0.00 H new ATOM 0 HA GLU A 26 -16.192 -1.425 -5.132 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -18.025 -2.546 -7.278 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -16.620 -1.545 -7.588 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -15.182 -3.269 -6.483 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -16.597 -4.277 -6.255 1.00 0.00 H new ATOM 414 N ARG A 27 -19.282 -0.433 -5.537 1.00 0.00 N ATOM 415 CA ARG A 27 -20.141 0.746 -5.599 1.00 0.00 C ATOM 416 C ARG A 27 -19.962 1.574 -4.336 1.00 0.00 C ATOM 417 O ARG A 27 -19.883 2.799 -4.389 1.00 0.00 O ATOM 418 CB ARG A 27 -21.611 0.345 -5.762 1.00 0.00 C ATOM 419 CG ARG A 27 -22.534 1.497 -6.132 1.00 0.00 C ATOM 420 CD ARG A 27 -23.967 1.013 -6.266 1.00 0.00 C ATOM 421 NE ARG A 27 -24.043 -0.202 -7.081 1.00 0.00 N ATOM 422 CZ ARG A 27 -24.467 -1.380 -6.625 1.00 0.00 C ATOM 423 NH1 ARG A 27 -25.011 -1.471 -5.417 1.00 0.00 N1+ ATOM 424 NH2 ARG A 27 -24.381 -2.458 -7.393 1.00 0.00 N ATOM 0 H ARG A 27 -19.781 -1.316 -5.429 1.00 0.00 H new ATOM 0 HA ARG A 27 -19.854 1.340 -6.467 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -21.683 -0.425 -6.530 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -21.960 -0.101 -4.831 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -22.477 2.275 -5.370 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -22.207 1.945 -7.070 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -24.381 0.817 -5.277 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -24.577 1.795 -6.718 1.00 0.00 H new ATOM 0 HE ARG A 27 -23.754 -0.143 -8.057 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -25.105 -0.638 -4.836 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -25.335 -2.374 -5.070 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -23.990 -2.385 -8.332 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -24.705 -3.360 -7.044 1.00 0.00 H new ATOM 438 N LEU A 28 -19.858 0.889 -3.202 1.00 0.00 N ATOM 439 CA LEU A 28 -19.654 1.560 -1.916 1.00 0.00 C ATOM 440 C LEU A 28 -18.287 2.249 -1.889 1.00 0.00 C ATOM 441 O LEU A 28 -18.099 3.266 -1.216 1.00 0.00 O ATOM 442 CB LEU A 28 -19.786 0.571 -0.734 1.00 0.00 C ATOM 443 CG LEU A 28 -19.651 1.183 0.664 1.00 0.00 C ATOM 444 CD1 LEU A 28 -20.776 2.173 0.928 1.00 0.00 C ATOM 445 CD2 LEU A 28 -19.638 0.091 1.723 1.00 0.00 C ATOM 0 H LEU A 28 -19.911 -0.128 -3.144 1.00 0.00 H new ATOM 0 HA LEU A 28 -20.433 2.314 -1.804 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -20.756 0.079 -0.803 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -19.027 -0.203 -0.846 1.00 0.00 H new ATOM 0 HG LEU A 28 -18.705 1.722 0.714 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -20.662 2.596 1.926 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -20.738 2.973 0.188 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -21.735 1.660 0.859 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -19.542 0.543 2.710 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -20.568 -0.476 1.673 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -18.795 -0.577 1.546 1.00 0.00 H new ATOM 457 N LYS A 29 -17.338 1.699 -2.638 1.00 0.00 N ATOM 458 CA LYS A 29 -16.011 2.279 -2.732 1.00 0.00 C ATOM 459 C LYS A 29 -16.019 3.448 -3.701 1.00 0.00 C ATOM 460 O LYS A 29 -15.159 4.319 -3.644 1.00 0.00 O ATOM 461 CB LYS A 29 -14.989 1.236 -3.174 1.00 0.00 C ATOM 462 CG LYS A 29 -14.886 0.044 -2.239 1.00 0.00 C ATOM 463 CD LYS A 29 -13.924 -0.998 -2.776 1.00 0.00 C ATOM 464 CE LYS A 29 -12.496 -0.488 -2.765 1.00 0.00 C ATOM 465 NZ LYS A 29 -11.557 -1.465 -3.356 1.00 0.00 N1+ ATOM 0 H LYS A 29 -17.467 0.850 -3.189 1.00 0.00 H new ATOM 0 HA LYS A 29 -15.725 2.638 -1.743 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -15.253 0.882 -4.171 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -14.011 1.710 -3.252 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -14.552 0.378 -1.257 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -15.871 -0.402 -2.106 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.993 -1.904 -2.174 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -14.208 -1.268 -3.793 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -12.441 0.449 -3.319 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -12.196 -0.271 -1.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.592 -1.079 -3.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.590 -2.351 -2.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.827 -1.654 -4.342 1.00 0.00 H new ATOM 479 N SER A 30 -17.002 3.466 -4.587 1.00 0.00 N ATOM 480 CA SER A 30 -17.146 4.555 -5.531 1.00 0.00 C ATOM 481 C SER A 30 -17.753 5.765 -4.825 1.00 0.00 C ATOM 482 O SER A 30 -17.524 6.910 -5.213 1.00 0.00 O ATOM 483 CB SER A 30 -18.007 4.120 -6.725 1.00 0.00 C ATOM 484 OG SER A 30 -17.460 2.960 -7.348 1.00 0.00 O ATOM 0 H SER A 30 -17.711 2.737 -4.670 1.00 0.00 H new ATOM 0 HA SER A 30 -16.164 4.832 -5.915 1.00 0.00 H new ATOM 0 HB2 SER A 30 -19.023 3.913 -6.390 1.00 0.00 H new ATOM 0 HB3 SER A 30 -18.069 4.932 -7.449 1.00 0.00 H new ATOM 0 HG SER A 30 -17.607 2.180 -6.774 1.00 0.00 H new ATOM 490 N GLU A 31 -18.509 5.492 -3.762 1.00 0.00 N ATOM 491 CA GLU A 31 -19.119 6.540 -2.955 1.00 0.00 C ATOM 492 C GLU A 31 -18.092 7.126 -1.993 1.00 0.00 C ATOM 493 O GLU A 31 -18.304 8.188 -1.404 1.00 0.00 O ATOM 494 CB GLU A 31 -20.309 5.985 -2.162 1.00 0.00 C ATOM 495 CG GLU A 31 -21.448 5.474 -3.025 1.00 0.00 C ATOM 496 CD GLU A 31 -22.115 6.577 -3.811 1.00 0.00 C ATOM 497 OE1 GLU A 31 -22.903 7.343 -3.216 1.00 0.00 O ATOM 498 OE2 GLU A 31 -21.863 6.689 -5.024 1.00 0.00 O1- ATOM 0 H GLU A 31 -18.713 4.546 -3.441 1.00 0.00 H new ATOM 0 HA GLU A 31 -19.475 7.324 -3.623 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -19.959 5.173 -1.524 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -20.689 6.767 -1.504 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -21.068 4.720 -3.714 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -22.188 4.984 -2.392 1.00 0.00 H new ATOM 505 N ARG A 32 -16.978 6.420 -1.834 1.00 0.00 N ATOM 506 CA ARG A 32 -15.915 6.857 -0.947 1.00 0.00 C ATOM 507 C ARG A 32 -15.359 8.224 -1.429 1.00 0.00 C ATOM 508 O ARG A 32 -15.115 8.389 -2.628 1.00 0.00 O ATOM 509 CB ARG A 32 -14.795 5.813 -0.925 1.00 0.00 C ATOM 510 CG ARG A 32 -13.641 6.151 0.004 1.00 0.00 C ATOM 511 CD ARG A 32 -12.593 5.049 0.008 1.00 0.00 C ATOM 512 NE ARG A 32 -13.132 3.783 0.509 1.00 0.00 N ATOM 513 CZ ARG A 32 -12.413 2.673 0.687 1.00 0.00 C ATOM 514 NH1 ARG A 32 -11.120 2.659 0.383 1.00 0.00 N1+ ATOM 515 NH2 ARG A 32 -12.992 1.583 1.164 1.00 0.00 N ATOM 0 H ARG A 32 -16.791 5.539 -2.312 1.00 0.00 H new ATOM 0 HA ARG A 32 -16.312 6.971 0.062 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -15.216 4.853 -0.628 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -14.408 5.692 -1.937 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -13.183 7.090 -0.308 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -14.018 6.301 1.016 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -12.213 4.906 -1.003 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -11.748 5.354 0.626 1.00 0.00 H new ATOM 0 HE ARG A 32 -14.125 3.747 0.738 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -10.674 3.498 0.012 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -10.573 1.809 0.520 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -13.986 1.593 1.395 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -12.445 0.733 1.301 1.00 0.00 H new ATOM 529 N HIS A 33 -15.165 9.203 -0.496 1.00 0.00 N ATOM 530 CA HIS A 33 -14.696 10.558 -0.848 1.00 0.00 C ATOM 531 C HIS A 33 -15.753 11.336 -1.638 1.00 0.00 C ATOM 532 O HIS A 33 -15.509 12.457 -2.085 1.00 0.00 O ATOM 533 CB HIS A 33 -13.361 10.519 -1.612 1.00 0.00 C ATOM 534 CG HIS A 33 -12.206 10.064 -0.777 1.00 0.00 C ATOM 535 ND1 HIS A 33 -11.743 8.765 -0.770 1.00 0.00 N ATOM 536 CD2 HIS A 33 -11.416 10.744 0.084 1.00 0.00 C ATOM 537 CE1 HIS A 33 -10.721 8.670 0.061 1.00 0.00 C ATOM 538 NE2 HIS A 33 -10.504 9.853 0.590 1.00 0.00 N ATOM 0 H HIS A 33 -15.329 9.068 0.502 1.00 0.00 H new ATOM 0 HA HIS A 33 -14.526 11.086 0.090 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -13.462 9.854 -2.470 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -13.146 11.514 -2.003 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -11.489 11.794 0.328 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -10.159 7.772 0.270 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -9.775 10.073 1.268 1.00 0.00 H new ATOM 546 N ASP A 34 -16.926 10.739 -1.800 1.00 0.00 N ATOM 547 CA ASP A 34 -18.027 11.389 -2.504 1.00 0.00 C ATOM 548 C ASP A 34 -19.205 11.613 -1.566 1.00 0.00 C ATOM 549 O ASP A 34 -20.065 12.451 -1.823 1.00 0.00 O ATOM 550 CB ASP A 34 -18.462 10.559 -3.716 1.00 0.00 C ATOM 551 CG ASP A 34 -19.616 11.190 -4.474 1.00 0.00 C ATOM 552 OD1 ASP A 34 -19.390 12.193 -5.181 1.00 0.00 O ATOM 553 OD2 ASP A 34 -20.748 10.675 -4.378 1.00 0.00 O1- ATOM 0 H ASP A 34 -17.141 9.804 -1.453 1.00 0.00 H new ATOM 0 HA ASP A 34 -17.677 12.358 -2.859 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -17.614 10.436 -4.390 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -18.753 9.562 -3.383 1.00 0.00 H new ATOM 558 N HIS A 35 -19.225 10.863 -0.460 1.00 0.00 N ATOM 559 CA HIS A 35 -20.290 10.995 0.548 1.00 0.00 C ATOM 560 C HIS A 35 -20.435 12.443 0.985 1.00 0.00 C ATOM 561 O HIS A 35 -21.541 12.961 1.094 1.00 0.00 O ATOM 562 CB HIS A 35 -20.002 10.132 1.786 1.00 0.00 C ATOM 563 CG HIS A 35 -20.065 8.654 1.559 1.00 0.00 C ATOM 564 ND1 HIS A 35 -21.245 7.963 1.426 1.00 0.00 N ATOM 565 CD2 HIS A 35 -19.083 7.731 1.469 1.00 0.00 C ATOM 566 CE1 HIS A 35 -20.987 6.678 1.266 1.00 0.00 C ATOM 567 NE2 HIS A 35 -19.682 6.509 1.288 1.00 0.00 N ATOM 0 H HIS A 35 -18.520 10.160 -0.237 1.00 0.00 H new ATOM 0 HA HIS A 35 -21.215 10.653 0.084 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -19.011 10.384 2.163 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -20.716 10.395 2.567 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -18.021 7.920 1.529 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -21.723 5.898 1.139 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -19.196 5.618 1.187 1.00 0.00 H new ATOM 575 N ASP A 36 -19.298 13.093 1.202 1.00 0.00 N ATOM 576 CA ASP A 36 -19.262 14.481 1.649 1.00 0.00 C ATOM 577 C ASP A 36 -19.924 15.402 0.637 1.00 0.00 C ATOM 578 O ASP A 36 -20.489 16.432 1.000 1.00 0.00 O ATOM 579 CB ASP A 36 -17.822 14.927 1.894 1.00 0.00 C ATOM 580 CG ASP A 36 -17.113 14.072 2.916 1.00 0.00 C ATOM 581 OD1 ASP A 36 -17.247 14.344 4.125 1.00 0.00 O ATOM 582 OD2 ASP A 36 -16.409 13.121 2.515 1.00 0.00 O1- ATOM 0 H ASP A 36 -18.377 12.674 1.074 1.00 0.00 H new ATOM 0 HA ASP A 36 -19.818 14.543 2.584 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -17.271 14.894 0.954 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -17.819 15.964 2.229 1.00 0.00 H new ATOM 587 N LYS A 37 -19.851 15.030 -0.631 1.00 0.00 N ATOM 588 CA LYS A 37 -20.466 15.813 -1.684 1.00 0.00 C ATOM 589 C LYS A 37 -21.980 15.716 -1.593 1.00 0.00 C ATOM 590 O LYS A 37 -22.682 16.723 -1.680 1.00 0.00 O ATOM 591 CB LYS A 37 -19.983 15.347 -3.064 1.00 0.00 C ATOM 592 CG LYS A 37 -20.665 16.049 -4.231 1.00 0.00 C ATOM 593 CD LYS A 37 -20.470 17.556 -4.167 1.00 0.00 C ATOM 594 CE LYS A 37 -21.184 18.254 -5.308 1.00 0.00 C ATOM 595 NZ LYS A 37 -22.645 18.015 -5.282 1.00 0.00 N1+ ATOM 0 H LYS A 37 -19.371 14.190 -0.953 1.00 0.00 H new ATOM 0 HA LYS A 37 -20.171 16.854 -1.555 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -18.907 15.509 -3.135 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -20.150 14.273 -3.152 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -20.263 15.669 -5.170 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -21.730 15.818 -4.223 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -20.845 17.933 -3.216 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -19.406 17.789 -4.205 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -20.992 19.326 -5.254 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -20.777 17.905 -6.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -23.136 18.819 -5.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -22.864 17.145 -5.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -22.962 17.912 -4.297 1.00 0.00 H new ATOM 609 N LYS A 38 -22.479 14.504 -1.396 1.00 0.00 N ATOM 610 CA LYS A 38 -23.912 14.293 -1.280 1.00 0.00 C ATOM 611 C LYS A 38 -24.446 14.901 0.012 1.00 0.00 C ATOM 612 O LYS A 38 -25.569 15.419 0.047 1.00 0.00 O ATOM 613 CB LYS A 38 -24.279 12.806 -1.372 1.00 0.00 C ATOM 614 CG LYS A 38 -23.978 12.177 -2.727 1.00 0.00 C ATOM 615 CD LYS A 38 -24.743 10.873 -2.909 1.00 0.00 C ATOM 616 CE LYS A 38 -24.523 10.273 -4.292 1.00 0.00 C ATOM 617 NZ LYS A 38 -23.164 9.695 -4.454 1.00 0.00 N1+ ATOM 0 H LYS A 38 -21.916 13.658 -1.314 1.00 0.00 H new ATOM 0 HA LYS A 38 -24.384 14.799 -2.122 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -23.736 12.260 -0.601 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -25.341 12.690 -1.157 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -24.246 12.873 -3.522 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -22.908 11.990 -2.815 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -24.428 10.158 -2.149 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -25.807 11.052 -2.756 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -25.267 9.497 -4.470 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -24.679 11.043 -5.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -23.078 9.270 -5.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -22.452 10.446 -4.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -23.009 8.964 -3.731 1.00 0.00 H new ATOM 631 N GLU A 39 -23.641 14.851 1.072 1.00 0.00 N ATOM 632 CA GLU A 39 -24.029 15.450 2.345 1.00 0.00 C ATOM 633 C GLU A 39 -24.087 16.973 2.223 1.00 0.00 C ATOM 634 O GLU A 39 -24.957 17.620 2.811 1.00 0.00 O ATOM 635 CB GLU A 39 -23.079 15.032 3.482 1.00 0.00 C ATOM 636 CG GLU A 39 -23.090 13.543 3.786 1.00 0.00 C ATOM 637 CD GLU A 39 -22.133 13.182 4.899 1.00 0.00 C ATOM 638 OE1 GLU A 39 -20.928 13.020 4.626 1.00 0.00 O ATOM 639 OE2 GLU A 39 -22.581 13.069 6.067 1.00 0.00 O1- ATOM 0 H GLU A 39 -22.723 14.405 1.074 1.00 0.00 H new ATOM 0 HA GLU A 39 -25.023 15.080 2.596 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -22.064 15.331 3.221 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -23.349 15.578 4.386 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -24.099 13.238 4.063 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -22.825 12.988 2.886 1.00 0.00 H new ATOM 646 N ALA A 40 -23.181 17.544 1.423 1.00 0.00 N ATOM 647 CA ALA A 40 -23.162 18.988 1.211 1.00 0.00 C ATOM 648 C ALA A 40 -24.297 19.383 0.284 1.00 0.00 C ATOM 649 O ALA A 40 -24.787 20.516 0.321 1.00 0.00 O ATOM 650 CB ALA A 40 -21.813 19.455 0.651 1.00 0.00 C ATOM 0 H ALA A 40 -22.459 17.031 0.917 1.00 0.00 H new ATOM 0 HA ALA A 40 -23.300 19.480 2.174 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -21.834 20.535 0.505 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -21.019 19.199 1.353 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -21.626 18.964 -0.304 1.00 0.00 H new ATOM 656 N GLU A 41 -24.726 18.425 -0.531 1.00 0.00 N ATOM 657 CA GLU A 41 -25.826 18.633 -1.459 1.00 0.00 C ATOM 658 C GLU A 41 -27.125 18.696 -0.676 1.00 0.00 C ATOM 659 O GLU A 41 -27.966 19.570 -0.899 1.00 0.00 O ATOM 660 CB GLU A 41 -25.897 17.487 -2.483 1.00 0.00 C ATOM 661 CG GLU A 41 -26.741 17.801 -3.698 1.00 0.00 C ATOM 662 CD GLU A 41 -26.075 18.811 -4.596 1.00 0.00 C ATOM 663 OE1 GLU A 41 -25.414 18.397 -5.563 1.00 0.00 O ATOM 664 OE2 GLU A 41 -26.197 20.023 -4.329 1.00 0.00 O1- ATOM 0 H GLU A 41 -24.322 17.489 -0.565 1.00 0.00 H new ATOM 0 HA GLU A 41 -25.666 19.567 -1.998 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -24.886 17.241 -2.809 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -26.299 16.600 -1.993 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -26.928 16.884 -4.258 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -27.711 18.182 -3.378 1.00 0.00 H new ATOM 671 N ARG A 42 -27.268 17.760 0.252 1.00 0.00 N ATOM 672 CA ARG A 42 -28.443 17.700 1.114 1.00 0.00 C ATOM 673 C ARG A 42 -28.531 18.930 1.996 1.00 0.00 C ATOM 674 O ARG A 42 -29.567 19.580 2.056 1.00 0.00 O ATOM 675 CB ARG A 42 -28.429 16.441 1.998 1.00 0.00 C ATOM 676 CG ARG A 42 -29.491 16.463 3.088 1.00 0.00 C ATOM 677 CD ARG A 42 -29.353 15.285 4.026 1.00 0.00 C ATOM 678 NE ARG A 42 -30.135 15.474 5.245 1.00 0.00 N ATOM 679 CZ ARG A 42 -30.466 14.502 6.085 1.00 0.00 C ATOM 680 NH1 ARG A 42 -30.126 13.246 5.825 1.00 0.00 N1+ ATOM 681 NH2 ARG A 42 -31.139 14.791 7.186 1.00 0.00 N ATOM 0 H ARG A 42 -26.581 17.027 0.429 1.00 0.00 H new ATOM 0 HA ARG A 42 -29.316 17.661 0.462 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -28.579 15.562 1.371 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -27.446 16.339 2.459 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -29.412 17.391 3.655 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -30.481 16.451 2.632 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -29.680 14.376 3.520 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -28.303 15.146 4.284 1.00 0.00 H new ATOM 0 HE ARG A 42 -30.448 16.419 5.466 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -29.607 13.024 4.975 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -30.383 12.503 6.475 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -31.401 15.757 7.385 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -31.397 14.048 7.836 1.00 0.00 H new ATOM 695 N LYS A 43 -27.429 19.257 2.667 1.00 0.00 N ATOM 696 CA LYS A 43 -27.413 20.385 3.604 1.00 0.00 C ATOM 697 C LYS A 43 -27.776 21.701 2.909 1.00 0.00 C ATOM 698 O LYS A 43 -28.397 22.575 3.514 1.00 0.00 O ATOM 699 CB LYS A 43 -26.056 20.506 4.330 1.00 0.00 C ATOM 700 CG LYS A 43 -26.077 21.498 5.481 1.00 0.00 C ATOM 701 CD LYS A 43 -24.724 21.593 6.160 1.00 0.00 C ATOM 702 CE LYS A 43 -24.786 22.483 7.392 1.00 0.00 C ATOM 703 NZ LYS A 43 -25.246 23.862 7.069 1.00 0.00 N1+ ATOM 0 H LYS A 43 -26.540 18.763 2.583 1.00 0.00 H new ATOM 0 HA LYS A 43 -28.176 20.182 4.356 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -25.766 19.526 4.709 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -25.293 20.809 3.612 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -26.369 22.481 5.110 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -26.830 21.196 6.209 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -24.387 20.596 6.445 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -23.990 21.989 5.459 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -25.460 22.039 8.125 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -23.800 22.530 7.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -25.305 24.422 7.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -24.571 24.309 6.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -26.184 23.819 6.621 1.00 0.00 H new ATOM 717 N ALA A 44 -27.420 21.825 1.630 1.00 0.00 N ATOM 718 CA ALA A 44 -27.726 23.032 0.877 1.00 0.00 C ATOM 719 C ALA A 44 -29.238 23.213 0.727 1.00 0.00 C ATOM 720 O ALA A 44 -29.737 24.338 0.687 1.00 0.00 O ATOM 721 CB ALA A 44 -27.033 23.015 -0.486 1.00 0.00 C ATOM 0 H ALA A 44 -26.923 21.108 1.101 1.00 0.00 H new ATOM 0 HA ALA A 44 -27.342 23.886 1.435 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -27.277 23.928 -1.030 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -25.954 22.954 -0.345 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -27.373 22.151 -1.056 1.00 0.00 H new ATOM 727 N LEU A 45 -29.964 22.100 0.659 1.00 0.00 N ATOM 728 CA LEU A 45 -31.412 22.144 0.543 1.00 0.00 C ATOM 729 C LEU A 45 -32.052 22.121 1.924 1.00 0.00 C ATOM 730 O LEU A 45 -33.108 22.717 2.144 1.00 0.00 O ATOM 731 CB LEU A 45 -31.924 20.957 -0.287 1.00 0.00 C ATOM 732 CG LEU A 45 -31.288 20.785 -1.662 1.00 0.00 C ATOM 733 CD1 LEU A 45 -31.750 19.489 -2.298 1.00 0.00 C ATOM 734 CD2 LEU A 45 -31.618 21.968 -2.558 1.00 0.00 C ATOM 0 H LEU A 45 -29.570 21.159 0.682 1.00 0.00 H new ATOM 0 HA LEU A 45 -31.687 23.070 0.037 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -31.763 20.043 0.284 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -33.001 21.066 -0.417 1.00 0.00 H new ATOM 0 HG LEU A 45 -30.206 20.744 -1.539 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -31.288 19.380 -3.279 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -31.461 18.650 -1.665 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -32.834 19.504 -2.408 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -31.155 21.825 -3.534 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -32.699 22.044 -2.677 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -31.237 22.884 -2.106 1.00 0.00 H new ATOM 746 N GLU A 46 -31.381 21.458 2.863 1.00 0.00 N ATOM 747 CA GLU A 46 -31.913 21.274 4.204 1.00 0.00 C ATOM 748 C GLU A 46 -31.942 22.586 4.977 1.00 0.00 C ATOM 749 O GLU A 46 -32.864 22.831 5.749 1.00 0.00 O ATOM 750 CB GLU A 46 -31.130 20.186 4.972 1.00 0.00 C ATOM 751 CG GLU A 46 -31.717 19.846 6.327 1.00 0.00 C ATOM 752 CD GLU A 46 -31.004 18.691 6.988 1.00 0.00 C ATOM 753 OE1 GLU A 46 -30.117 18.934 7.831 1.00 0.00 O ATOM 754 OE2 GLU A 46 -31.328 17.530 6.671 1.00 0.00 O1- ATOM 0 H GLU A 46 -30.463 21.039 2.715 1.00 0.00 H new ATOM 0 HA GLU A 46 -32.943 20.932 4.104 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -31.095 19.281 4.365 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -30.101 20.520 5.106 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -31.663 20.722 6.974 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -32.773 19.600 6.212 1.00 0.00 H new ATOM 761 N ASP A 47 -30.955 23.447 4.745 1.00 0.00 N ATOM 762 CA ASP A 47 -30.915 24.733 5.436 1.00 0.00 C ATOM 763 C ASP A 47 -32.053 25.628 4.974 1.00 0.00 C ATOM 764 O ASP A 47 -32.504 26.502 5.708 1.00 0.00 O ATOM 765 CB ASP A 47 -29.565 25.450 5.255 1.00 0.00 C ATOM 766 CG ASP A 47 -28.435 24.800 6.038 1.00 0.00 C ATOM 767 OD1 ASP A 47 -28.654 24.424 7.211 1.00 0.00 O ATOM 768 OD2 ASP A 47 -27.310 24.694 5.500 1.00 0.00 O1- ATOM 0 H ASP A 47 -30.185 23.283 4.096 1.00 0.00 H new ATOM 0 HA ASP A 47 -31.035 24.526 6.499 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -29.306 25.462 4.196 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -29.667 26.489 5.570 1.00 0.00 H new ATOM 773 N LYS A 48 -32.533 25.394 3.763 1.00 0.00 N ATOM 774 CA LYS A 48 -33.635 26.179 3.225 1.00 0.00 C ATOM 775 C LYS A 48 -34.962 25.716 3.805 1.00 0.00 C ATOM 776 O LYS A 48 -35.681 26.494 4.432 1.00 0.00 O ATOM 777 CB LYS A 48 -33.700 26.087 1.695 1.00 0.00 C ATOM 778 CG LYS A 48 -32.520 26.702 0.964 1.00 0.00 C ATOM 779 CD LYS A 48 -32.764 26.692 -0.538 1.00 0.00 C ATOM 780 CE LYS A 48 -31.649 27.380 -1.301 1.00 0.00 C ATOM 781 NZ LYS A 48 -31.945 27.452 -2.754 1.00 0.00 N1+ ATOM 0 H LYS A 48 -32.180 24.671 3.136 1.00 0.00 H new ATOM 0 HA LYS A 48 -33.453 27.216 3.508 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -33.776 25.037 1.412 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -34.613 26.576 1.355 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -32.364 27.725 1.307 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -31.611 26.147 1.195 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -32.857 25.662 -0.883 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -33.710 27.188 -0.755 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -31.506 28.386 -0.908 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -30.714 26.841 -1.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -31.162 27.928 -3.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -32.057 26.490 -3.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -32.824 27.988 -2.903 1.00 0.00 H new ATOM 795 N LEU A 49 -35.265 24.436 3.613 1.00 0.00 N ATOM 796 CA LEU A 49 -36.545 23.862 4.034 1.00 0.00 C ATOM 797 C LEU A 49 -36.712 23.813 5.557 1.00 0.00 C ATOM 798 O LEU A 49 -37.829 23.631 6.057 1.00 0.00 O ATOM 799 CB LEU A 49 -36.753 22.470 3.398 1.00 0.00 C ATOM 800 CG LEU A 49 -35.615 21.447 3.576 1.00 0.00 C ATOM 801 CD1 LEU A 49 -35.627 20.834 4.968 1.00 0.00 C ATOM 802 CD2 LEU A 49 -35.702 20.365 2.513 1.00 0.00 C ATOM 0 H LEU A 49 -34.637 23.769 3.165 1.00 0.00 H new ATOM 0 HA LEU A 49 -37.324 24.531 3.670 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -37.664 22.040 3.813 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -36.923 22.607 2.330 1.00 0.00 H new ATOM 0 HG LEU A 49 -34.670 21.977 3.458 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -34.811 20.117 5.057 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -35.503 21.620 5.713 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -36.576 20.325 5.133 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -34.891 19.651 2.654 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -36.658 19.849 2.597 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -35.619 20.818 1.525 1.00 0.00 H new ATOM 814 N ALA A 50 -35.617 23.954 6.289 1.00 0.00 N ATOM 815 CA ALA A 50 -35.695 23.933 7.743 1.00 0.00 C ATOM 816 C ALA A 50 -36.199 25.267 8.289 1.00 0.00 C ATOM 817 O ALA A 50 -37.003 25.291 9.219 1.00 0.00 O ATOM 818 CB ALA A 50 -34.356 23.538 8.387 1.00 0.00 C ATOM 0 H ALA A 50 -34.679 24.082 5.909 1.00 0.00 H new ATOM 0 HA ALA A 50 -36.419 23.164 8.013 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -34.461 23.535 9.472 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -34.069 22.543 8.048 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -33.588 24.255 8.098 1.00 0.00 H new ATOM 824 N ASP A 51 -35.737 26.373 7.708 1.00 0.00 N ATOM 825 CA ASP A 51 -36.164 27.698 8.159 1.00 0.00 C ATOM 826 C ASP A 51 -37.376 28.175 7.393 1.00 0.00 C ATOM 827 O ASP A 51 -38.355 28.630 7.979 1.00 0.00 O ATOM 828 CB ASP A 51 -35.034 28.731 8.069 1.00 0.00 C ATOM 829 CG ASP A 51 -34.014 28.564 9.168 1.00 0.00 C ATOM 830 OD1 ASP A 51 -34.295 28.975 10.314 1.00 0.00 O ATOM 831 OD2 ASP A 51 -32.921 28.031 8.902 1.00 0.00 O1- ATOM 0 H ASP A 51 -35.074 26.380 6.933 1.00 0.00 H new ATOM 0 HA ASP A 51 -36.436 27.597 9.210 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -34.540 28.642 7.102 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -35.457 29.734 8.119 1.00 0.00 H new ATOM 836 N LYS A 52 -37.311 28.070 6.080 1.00 0.00 N ATOM 837 CA LYS A 52 -38.402 28.507 5.239 1.00 0.00 C ATOM 838 C LYS A 52 -39.387 27.355 5.021 1.00 0.00 C ATOM 839 O LYS A 52 -39.122 26.227 5.447 1.00 0.00 O ATOM 840 CB LYS A 52 -37.869 29.031 3.903 1.00 0.00 C ATOM 841 CG LYS A 52 -36.990 30.264 4.043 1.00 0.00 C ATOM 842 CD LYS A 52 -36.467 30.733 2.698 1.00 0.00 C ATOM 843 CE LYS A 52 -35.656 32.016 2.833 1.00 0.00 C ATOM 844 NZ LYS A 52 -34.456 31.837 3.693 1.00 0.00 N1+ ATOM 0 H LYS A 52 -36.513 27.685 5.575 1.00 0.00 H new ATOM 0 HA LYS A 52 -38.928 29.323 5.735 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -37.299 28.242 3.413 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -38.711 29.267 3.252 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -37.560 31.066 4.512 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -36.151 30.041 4.702 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -35.847 29.954 2.255 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -37.303 30.899 2.019 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -35.345 32.352 1.844 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -36.287 32.800 3.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -33.848 32.678 3.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -34.753 31.709 4.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -33.926 30.999 3.379 1.00 0.00 H new ATOM 858 N GLN A 53 -40.509 27.612 4.352 1.00 0.00 N ATOM 859 CA GLN A 53 -41.494 26.577 4.163 1.00 0.00 C ATOM 860 C GLN A 53 -42.086 26.619 2.726 1.00 0.00 C ATOM 861 O GLN A 53 -42.395 27.702 2.214 1.00 0.00 O ATOM 862 CB GLN A 53 -42.612 26.708 5.220 1.00 0.00 C ATOM 863 CG GLN A 53 -43.283 28.076 5.263 1.00 0.00 C ATOM 864 CD GLN A 53 -44.246 28.223 6.432 1.00 0.00 C ATOM 865 OE1 GLN A 53 -45.505 27.881 6.215 1.00 0.00 O flip ATOM 866 NE2 GLN A 53 -43.858 28.648 7.520 1.00 0.00 N flip ATOM 0 H GLN A 53 -40.747 28.515 3.942 1.00 0.00 H new ATOM 0 HA GLN A 53 -41.004 25.612 4.289 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -43.371 25.951 5.023 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -42.193 26.492 6.203 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -42.518 28.849 5.329 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -43.823 28.241 4.330 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -42.878 28.901 7.649 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -44.516 28.747 8.293 1.00 0.00 H new ATOM 875 N GLU A 54 -42.258 25.443 2.078 1.00 0.00 N ATOM 876 CA GLU A 54 -42.817 25.388 0.734 1.00 0.00 C ATOM 877 C GLU A 54 -44.334 25.359 0.811 1.00 0.00 C ATOM 878 O GLU A 54 -45.031 25.423 -0.202 1.00 0.00 O ATOM 879 CB GLU A 54 -42.287 24.158 -0.016 1.00 0.00 C ATOM 880 CG GLU A 54 -42.533 22.836 0.700 1.00 0.00 C ATOM 881 CD GLU A 54 -41.869 21.665 0.008 1.00 0.00 C ATOM 882 OE1 GLU A 54 -42.554 20.946 -0.756 1.00 0.00 O ATOM 883 OE2 GLU A 54 -40.658 21.456 0.223 1.00 0.00 O1- ATOM 0 H GLU A 54 -42.016 24.534 2.472 1.00 0.00 H new ATOM 0 HA GLU A 54 -42.511 26.277 0.183 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -42.754 24.118 -1.000 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -41.215 24.278 -0.176 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -42.162 22.907 1.722 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -43.606 22.655 0.762 1.00 0.00 H new ATOM 890 N HIS A 55 -44.829 25.267 2.038 1.00 0.00 N ATOM 891 CA HIS A 55 -46.255 25.253 2.329 1.00 0.00 C ATOM 892 C HIS A 55 -46.960 26.474 1.723 1.00 0.00 C ATOM 893 O HIS A 55 -48.097 26.383 1.283 1.00 0.00 O ATOM 894 CB HIS A 55 -46.462 25.215 3.852 1.00 0.00 C ATOM 895 CG HIS A 55 -47.889 25.315 4.290 1.00 0.00 C ATOM 896 ND1 HIS A 55 -48.452 26.489 4.735 1.00 0.00 N ATOM 897 CD2 HIS A 55 -48.863 24.384 4.357 1.00 0.00 C ATOM 898 CE1 HIS A 55 -49.714 26.272 5.058 1.00 0.00 C ATOM 899 NE2 HIS A 55 -49.986 25.005 4.838 1.00 0.00 N ATOM 0 H HIS A 55 -44.243 25.199 2.870 1.00 0.00 H new ATOM 0 HA HIS A 55 -46.695 24.363 1.878 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -46.041 24.287 4.239 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -45.899 26.033 4.302 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -48.774 23.343 4.083 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -50.405 27.010 5.438 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -50.888 24.556 4.999 1.00 0.00 H new ATOM 907 N LEU A 56 -46.259 27.604 1.682 1.00 0.00 N ATOM 908 CA LEU A 56 -46.826 28.843 1.147 1.00 0.00 C ATOM 909 C LEU A 56 -47.098 28.723 -0.352 1.00 0.00 C ATOM 910 O LEU A 56 -47.973 29.397 -0.893 1.00 0.00 O ATOM 911 CB LEU A 56 -45.887 30.020 1.425 1.00 0.00 C ATOM 912 CG LEU A 56 -45.530 30.251 2.897 1.00 0.00 C ATOM 913 CD1 LEU A 56 -44.583 31.427 3.041 1.00 0.00 C ATOM 914 CD2 LEU A 56 -46.785 30.471 3.731 1.00 0.00 C ATOM 0 H LEU A 56 -45.298 27.689 2.012 1.00 0.00 H new ATOM 0 HA LEU A 56 -47.777 29.024 1.648 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -44.964 29.865 0.866 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -46.347 30.928 1.035 1.00 0.00 H new ATOM 0 HG LEU A 56 -45.027 29.357 3.267 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -44.342 31.574 4.094 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -43.668 31.227 2.484 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -45.058 32.326 2.649 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -46.506 30.633 4.772 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -47.321 31.344 3.359 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -47.428 29.594 3.660 1.00 0.00 H new ATOM 926 N ASN A 57 -46.356 27.846 -1.010 1.00 0.00 N ATOM 927 CA ASN A 57 -46.520 27.612 -2.447 1.00 0.00 C ATOM 928 C ASN A 57 -47.468 26.455 -2.690 1.00 0.00 C ATOM 929 O ASN A 57 -47.686 26.049 -3.830 1.00 0.00 O ATOM 930 CB ASN A 57 -45.165 27.314 -3.112 1.00 0.00 C ATOM 931 CG ASN A 57 -44.255 28.522 -3.168 1.00 0.00 C ATOM 932 OD1 ASN A 57 -43.534 28.819 -2.213 1.00 0.00 O ATOM 933 ND2 ASN A 57 -44.267 29.218 -4.290 1.00 0.00 N ATOM 0 H ASN A 57 -45.629 27.279 -0.574 1.00 0.00 H new ATOM 0 HA ASN A 57 -46.937 28.518 -2.888 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -44.666 26.515 -2.564 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -45.336 26.948 -4.124 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -43.665 30.035 -4.390 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -44.879 28.939 -5.057 1.00 0.00 H new ATOM 940 N GLY A 58 -48.029 25.926 -1.613 1.00 0.00 N ATOM 941 CA GLY A 58 -48.933 24.789 -1.729 1.00 0.00 C ATOM 942 C GLY A 58 -48.184 23.474 -1.690 1.00 0.00 C ATOM 943 O GLY A 58 -48.763 22.416 -1.959 1.00 0.00 O ATOM 0 H GLY A 58 -47.878 26.259 -0.661 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -49.661 24.818 -0.918 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -49.492 24.862 -2.662 1.00 0.00 H new ATOM 947 N ALA A 59 -46.882 23.551 -1.359 1.00 0.00 N ATOM 948 CA ALA A 59 -45.994 22.373 -1.284 1.00 0.00 C ATOM 949 C ALA A 59 -45.815 21.715 -2.654 1.00 0.00 C ATOM 950 O ALA A 59 -44.861 22.019 -3.373 1.00 0.00 O ATOM 951 CB ALA A 59 -46.503 21.366 -0.253 1.00 0.00 C ATOM 0 H ALA A 59 -46.415 24.430 -1.136 1.00 0.00 H new ATOM 0 HA ALA A 59 -45.014 22.722 -0.959 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -45.830 20.509 -0.219 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -46.540 21.838 0.729 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -47.502 21.032 -0.533 1.00 0.00 H new ATOM 957 N LEU A 60 -46.738 20.838 -3.012 1.00 0.00 N ATOM 958 CA LEU A 60 -46.698 20.138 -4.289 1.00 0.00 C ATOM 959 C LEU A 60 -48.097 19.758 -4.726 1.00 0.00 C ATOM 960 O LEU A 60 -49.014 19.674 -3.903 1.00 0.00 O ATOM 961 CB LEU A 60 -45.835 18.868 -4.204 1.00 0.00 C ATOM 962 CG LEU A 60 -44.317 19.069 -4.201 1.00 0.00 C ATOM 963 CD1 LEU A 60 -43.612 17.741 -4.001 1.00 0.00 C ATOM 964 CD2 LEU A 60 -43.862 19.717 -5.504 1.00 0.00 C ATOM 0 H LEU A 60 -47.536 20.590 -2.427 1.00 0.00 H new ATOM 0 HA LEU A 60 -46.255 20.815 -5.019 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -46.109 18.330 -3.296 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -46.092 18.225 -5.046 1.00 0.00 H new ATOM 0 HG LEU A 60 -44.057 19.732 -3.376 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -42.533 17.898 -4.001 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -43.916 17.308 -3.048 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -43.880 17.062 -4.810 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -42.781 19.853 -5.485 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -44.133 19.076 -6.343 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -44.347 20.687 -5.617 1.00 0.00 H new ATOM 976 N ARG A 61 -48.259 19.541 -6.013 1.00 0.00 N ATOM 977 CA ARG A 61 -49.528 19.106 -6.558 1.00 0.00 C ATOM 978 C ARG A 61 -49.414 17.646 -6.984 1.00 0.00 C ATOM 979 O ARG A 61 -48.395 16.996 -6.725 1.00 0.00 O ATOM 980 CB ARG A 61 -49.918 19.941 -7.778 1.00 0.00 C ATOM 981 CG ARG A 61 -50.223 21.394 -7.493 1.00 0.00 C ATOM 982 CD ARG A 61 -50.792 22.065 -8.729 1.00 0.00 C ATOM 983 NE ARG A 61 -51.171 23.452 -8.488 1.00 0.00 N ATOM 984 CZ ARG A 61 -52.430 23.894 -8.457 1.00 0.00 C ATOM 985 NH1 ARG A 61 -53.445 23.034 -8.542 1.00 0.00 N1+ ATOM 986 NH2 ARG A 61 -52.672 25.194 -8.316 1.00 0.00 N ATOM 0 H ARG A 61 -47.521 19.660 -6.707 1.00 0.00 H new ATOM 0 HA ARG A 61 -50.291 19.227 -5.789 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -49.108 19.892 -8.506 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -50.793 19.487 -8.244 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -50.934 21.469 -6.670 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -49.315 21.908 -7.177 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -50.054 22.028 -9.531 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -51.664 21.508 -9.072 1.00 0.00 H new ATOM 0 HE ARG A 61 -50.425 24.130 -8.333 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -53.261 22.035 -8.631 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -54.406 23.375 -8.518 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -51.896 25.851 -8.232 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -53.633 25.534 -8.292 1.00 0.00 H new ATOM 1000 N TYR A 62 -50.443 17.127 -7.638 1.00 0.00 N ATOM 1001 CA TYR A 62 -50.382 15.788 -8.151 1.00 0.00 C ATOM 1002 C TYR A 62 -49.997 15.839 -9.633 1.00 0.00 C ATOM 1003 O TYR A 62 -50.056 16.909 -10.246 1.00 0.00 O ATOM 1004 CB TYR A 62 -51.715 15.068 -7.947 1.00 0.00 C ATOM 1005 CG TYR A 62 -52.082 14.922 -6.490 1.00 0.00 C ATOM 1006 CD1 TYR A 62 -53.265 15.449 -5.990 1.00 0.00 C ATOM 1007 CD2 TYR A 62 -51.232 14.271 -5.609 1.00 0.00 C ATOM 1008 CE1 TYR A 62 -53.587 15.332 -4.651 1.00 0.00 C ATOM 1009 CE2 TYR A 62 -51.546 14.145 -4.274 1.00 0.00 C ATOM 1010 CZ TYR A 62 -52.722 14.677 -3.798 1.00 0.00 C ATOM 1011 OH TYR A 62 -53.035 14.558 -2.464 1.00 0.00 O ATOM 0 H TYR A 62 -51.319 17.617 -7.819 1.00 0.00 H new ATOM 0 HA TYR A 62 -49.625 15.223 -7.607 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -52.503 15.618 -8.462 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -51.663 14.080 -8.405 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -53.944 15.958 -6.658 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -50.306 13.855 -5.977 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -54.509 15.750 -4.275 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -50.872 13.631 -3.604 1.00 0.00 H new ATOM 0 HH TYR A 62 -52.322 14.069 -2.003 1.00 0.00 H new ATOM 1021 N ILE A 63 -49.628 14.704 -10.225 1.00 0.00 N ATOM 1022 CA ILE A 63 -49.155 14.708 -11.600 1.00 0.00 C ATOM 1023 C ILE A 63 -50.297 14.862 -12.597 1.00 0.00 C ATOM 1024 O ILE A 63 -50.076 15.221 -13.751 1.00 0.00 O ATOM 1025 CB ILE A 63 -48.336 13.445 -11.928 1.00 0.00 C ATOM 1026 CG1 ILE A 63 -49.164 12.183 -11.680 1.00 0.00 C ATOM 1027 CG2 ILE A 63 -47.055 13.422 -11.102 1.00 0.00 C ATOM 1028 CD1 ILE A 63 -48.420 10.902 -11.974 1.00 0.00 C ATOM 0 H ILE A 63 -49.648 13.787 -9.780 1.00 0.00 H new ATOM 0 HA ILE A 63 -48.502 15.576 -11.694 1.00 0.00 H new ATOM 0 HB ILE A 63 -48.068 13.468 -12.984 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -49.491 12.172 -10.640 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -50.062 12.221 -12.297 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -46.484 12.525 -11.342 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -46.458 14.305 -11.332 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -47.306 13.420 -10.041 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -49.070 10.050 -11.775 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -48.116 10.890 -13.021 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -47.536 10.840 -11.339 1.00 0.00 H new ATOM 1040 N ASN A 64 -51.516 14.613 -12.147 1.00 0.00 N ATOM 1041 CA ASN A 64 -52.679 14.738 -13.019 1.00 0.00 C ATOM 1042 C ASN A 64 -53.219 16.155 -13.029 1.00 0.00 C ATOM 1043 O ASN A 64 -54.151 16.465 -13.764 1.00 0.00 O ATOM 1044 CB ASN A 64 -53.774 13.749 -12.633 1.00 0.00 C ATOM 1045 CG ASN A 64 -53.422 12.325 -13.003 1.00 0.00 C ATOM 1046 OD1 ASN A 64 -52.865 11.581 -12.197 1.00 0.00 O ATOM 1047 ND2 ASN A 64 -53.714 11.947 -14.233 1.00 0.00 N ATOM 0 H ASN A 64 -51.728 14.325 -11.192 1.00 0.00 H new ATOM 0 HA ASN A 64 -52.348 14.498 -14.029 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -53.952 13.809 -11.559 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -54.704 14.030 -13.127 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -53.477 11.006 -14.547 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -54.177 12.596 -14.870 1.00 0.00 H new ATOM 1054 N GLU A 65 -52.625 17.021 -12.219 1.00 0.00 N ATOM 1055 CA GLU A 65 -53.027 18.428 -12.179 1.00 0.00 C ATOM 1056 C GLU A 65 -52.267 19.208 -13.232 1.00 0.00 C ATOM 1057 O GLU A 65 -52.509 20.396 -13.447 1.00 0.00 O ATOM 1058 CB GLU A 65 -52.763 19.038 -10.806 1.00 0.00 C ATOM 1059 CG GLU A 65 -53.564 18.415 -9.686 1.00 0.00 C ATOM 1060 CD GLU A 65 -53.314 19.098 -8.369 1.00 0.00 C ATOM 1061 OE1 GLU A 65 -53.584 20.313 -8.264 1.00 0.00 O ATOM 1062 OE2 GLU A 65 -52.855 18.432 -7.427 1.00 0.00 O1- ATOM 0 H GLU A 65 -51.866 16.779 -11.582 1.00 0.00 H new ATOM 0 HA GLU A 65 -54.097 18.480 -12.379 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -51.702 18.941 -10.576 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -52.984 20.105 -10.846 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -54.626 18.468 -9.926 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -53.309 17.359 -9.601 1.00 0.00 H new ATOM 1069 N LYS A 66 -51.343 18.529 -13.873 1.00 0.00 N ATOM 1070 CA LYS A 66 -50.517 19.117 -14.895 1.00 0.00 C ATOM 1071 C LYS A 66 -49.963 17.996 -15.778 1.00 0.00 C ATOM 1072 O LYS A 66 -48.781 17.976 -16.116 1.00 0.00 O ATOM 1073 CB LYS A 66 -49.377 19.914 -14.234 1.00 0.00 C ATOM 1074 CG LYS A 66 -48.613 20.831 -15.180 1.00 0.00 C ATOM 1075 CD LYS A 66 -47.811 21.862 -14.404 1.00 0.00 C ATOM 1076 CE LYS A 66 -47.017 22.774 -15.327 1.00 0.00 C ATOM 1077 NZ LYS A 66 -45.813 22.102 -15.879 1.00 0.00 N1+ ATOM 0 H LYS A 66 -51.144 17.544 -13.696 1.00 0.00 H new ATOM 0 HA LYS A 66 -51.098 19.802 -15.513 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -49.793 20.514 -13.424 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -48.675 19.213 -13.783 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -47.944 20.240 -15.805 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -49.312 21.335 -15.848 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -48.485 22.462 -13.793 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -47.130 21.354 -13.722 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -47.655 23.103 -16.147 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -46.714 23.667 -14.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -45.115 22.819 -16.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -45.397 21.483 -15.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -46.082 21.533 -16.707 1.00 0.00 H new ATOM 1091 N GLU A 67 -50.838 17.052 -16.157 1.00 0.00 N ATOM 1092 CA GLU A 67 -50.432 15.903 -16.964 1.00 0.00 C ATOM 1093 C GLU A 67 -50.101 16.297 -18.403 1.00 0.00 C ATOM 1094 O GLU A 67 -49.824 15.439 -19.242 1.00 0.00 O ATOM 1095 CB GLU A 67 -51.498 14.802 -16.933 1.00 0.00 C ATOM 1096 CG GLU A 67 -52.882 15.253 -17.361 1.00 0.00 C ATOM 1097 CD GLU A 67 -53.884 14.122 -17.332 1.00 0.00 C ATOM 1098 OE1 GLU A 67 -54.374 13.781 -16.234 1.00 0.00 O ATOM 1099 OE2 GLU A 67 -54.187 13.558 -18.409 1.00 0.00 O1- ATOM 0 H GLU A 67 -51.829 17.066 -15.915 1.00 0.00 H new ATOM 0 HA GLU A 67 -49.518 15.510 -16.518 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -51.179 13.987 -17.582 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -51.557 14.400 -15.922 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -53.221 16.054 -16.704 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -52.832 15.667 -18.368 1.00 0.00 H new ATOM 1106 N ALA A 68 -50.114 17.600 -18.678 1.00 0.00 N ATOM 1107 CA ALA A 68 -49.729 18.118 -19.992 1.00 0.00 C ATOM 1108 C ALA A 68 -48.269 17.781 -20.284 1.00 0.00 C ATOM 1109 O ALA A 68 -47.820 17.847 -21.428 1.00 0.00 O ATOM 1110 CB ALA A 68 -49.957 19.628 -20.081 1.00 0.00 C ATOM 0 H ALA A 68 -50.387 18.319 -18.008 1.00 0.00 H new ATOM 0 HA ALA A 68 -50.359 17.640 -20.742 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -49.662 19.983 -21.068 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -51.012 19.847 -19.917 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -49.360 20.132 -19.321 1.00 0.00 H new ATOM 1116 N GLU A 69 -47.533 17.417 -19.228 1.00 0.00 N ATOM 1117 CA GLU A 69 -46.139 16.994 -19.351 1.00 0.00 C ATOM 1118 C GLU A 69 -46.064 15.716 -20.187 1.00 0.00 C ATOM 1119 O GLU A 69 -45.056 15.433 -20.836 1.00 0.00 O ATOM 1120 CB GLU A 69 -45.543 16.710 -17.965 1.00 0.00 C ATOM 1121 CG GLU A 69 -45.795 17.792 -16.923 1.00 0.00 C ATOM 1122 CD GLU A 69 -45.183 19.122 -17.279 1.00 0.00 C ATOM 1123 OE1 GLU A 69 -43.942 19.253 -17.201 1.00 0.00 O ATOM 1124 OE2 GLU A 69 -45.935 20.056 -17.599 1.00 0.00 O1- ATOM 0 H GLU A 69 -47.887 17.408 -18.271 1.00 0.00 H new ATOM 0 HA GLU A 69 -45.575 17.793 -19.832 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -45.951 15.769 -17.596 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -44.467 16.571 -18.070 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -46.870 17.918 -16.794 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -45.396 17.462 -15.964 1.00 0.00 H new ATOM 1131 N ARG A 70 -47.152 14.950 -20.160 1.00 0.00 N ATOM 1132 CA ARG A 70 -47.247 13.693 -20.899 1.00 0.00 C ATOM 1133 C ARG A 70 -47.675 13.953 -22.331 1.00 0.00 C ATOM 1134 O ARG A 70 -47.695 13.035 -23.152 1.00 0.00 O ATOM 1135 CB ARG A 70 -48.292 12.769 -20.259 1.00 0.00 C ATOM 1136 CG ARG A 70 -48.054 12.419 -18.802 1.00 0.00 C ATOM 1137 CD ARG A 70 -49.223 11.608 -18.257 1.00 0.00 C ATOM 1138 NE ARG A 70 -48.998 11.146 -16.889 1.00 0.00 N ATOM 1139 CZ ARG A 70 -49.889 10.448 -16.175 1.00 0.00 C ATOM 1140 NH1 ARG A 70 -51.098 10.189 -16.672 1.00 0.00 N1+ ATOM 1141 NH2 ARG A 70 -49.571 10.017 -14.968 1.00 0.00 N ATOM 0 H ARG A 70 -47.990 15.182 -19.627 1.00 0.00 H new ATOM 0 HA ARG A 70 -46.264 13.223 -20.876 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -49.270 13.242 -20.345 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -48.333 11.844 -20.834 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -47.130 11.849 -18.704 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -47.930 13.330 -18.217 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -50.127 12.216 -18.287 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -49.396 10.747 -18.903 1.00 0.00 H new ATOM 0 HE ARG A 70 -48.105 11.370 -16.450 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -51.349 10.523 -17.602 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -51.772 9.656 -16.122 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -48.648 10.216 -14.582 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -50.248 9.485 -14.422 1.00 0.00 H new ATOM 1155 N LYS A 71 -48.028 15.213 -22.619 1.00 0.00 N ATOM 1156 CA LYS A 71 -48.564 15.604 -23.922 1.00 0.00 C ATOM 1157 C LYS A 71 -49.966 14.967 -24.107 1.00 0.00 C ATOM 1158 O LYS A 71 -50.460 14.306 -23.186 1.00 0.00 O ATOM 1159 CB LYS A 71 -47.587 15.219 -25.050 1.00 0.00 C ATOM 1160 CG LYS A 71 -46.284 15.990 -25.011 1.00 0.00 C ATOM 1161 CD LYS A 71 -45.411 15.651 -26.198 1.00 0.00 C ATOM 1162 CE LYS A 71 -44.156 16.498 -26.217 1.00 0.00 C ATOM 1163 NZ LYS A 71 -43.346 16.249 -27.428 1.00 0.00 N1+ ATOM 0 H LYS A 71 -47.949 15.984 -21.956 1.00 0.00 H new ATOM 0 HA LYS A 71 -48.677 16.687 -23.969 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -47.371 14.153 -24.984 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -48.071 15.388 -26.012 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -46.492 17.060 -25.003 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -45.751 15.762 -24.088 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -45.140 14.596 -26.163 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -45.971 15.806 -27.120 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -44.428 17.553 -26.172 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -43.559 16.284 -25.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -42.441 16.755 -27.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -43.165 15.229 -27.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -43.861 16.587 -28.266 1.00 0.00 H new ATOM 1177 N GLU A 72 -50.629 15.174 -25.249 1.00 0.00 N ATOM 1178 CA GLU A 72 -51.961 14.616 -25.415 1.00 0.00 C ATOM 1179 C GLU A 72 -52.287 14.300 -26.877 1.00 0.00 C ATOM 1180 O GLU A 72 -52.979 13.324 -27.161 1.00 0.00 O ATOM 1181 CB GLU A 72 -53.010 15.586 -24.838 1.00 0.00 C ATOM 1182 CG GLU A 72 -54.440 15.077 -24.900 1.00 0.00 C ATOM 1183 CD GLU A 72 -55.447 16.160 -24.588 1.00 0.00 C ATOM 1184 OE1 GLU A 72 -56.027 16.722 -25.539 1.00 0.00 O ATOM 1185 OE2 GLU A 72 -55.661 16.462 -23.391 1.00 0.00 O1- ATOM 0 H GLU A 72 -50.275 15.706 -26.044 1.00 0.00 H new ATOM 0 HA GLU A 72 -51.987 13.673 -24.870 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -52.758 15.798 -23.799 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -52.950 16.530 -25.379 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -54.638 14.675 -25.894 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -54.562 14.256 -24.194 1.00 0.00 H new ATOM 1192 N LYS A 73 -51.777 15.098 -27.803 1.00 0.00 N ATOM 1193 CA LYS A 73 -52.160 14.946 -29.201 1.00 0.00 C ATOM 1194 C LYS A 73 -51.004 14.470 -30.084 1.00 0.00 C ATOM 1195 O LYS A 73 -51.226 13.957 -31.185 1.00 0.00 O ATOM 1196 CB LYS A 73 -52.724 16.269 -29.722 1.00 0.00 C ATOM 1197 CG LYS A 73 -53.771 16.881 -28.795 1.00 0.00 C ATOM 1198 CD LYS A 73 -54.290 18.203 -29.325 1.00 0.00 C ATOM 1199 CE LYS A 73 -55.114 18.945 -28.276 1.00 0.00 C ATOM 1200 NZ LYS A 73 -56.249 18.132 -27.760 1.00 0.00 N1+ ATOM 0 H LYS A 73 -51.108 15.846 -27.618 1.00 0.00 H new ATOM 0 HA LYS A 73 -52.925 14.171 -29.250 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -51.907 16.978 -29.855 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -53.168 16.106 -30.704 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -54.602 16.186 -28.677 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -53.337 17.031 -27.806 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -53.451 18.825 -29.636 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -54.901 18.026 -30.210 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -54.468 19.228 -27.445 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -55.500 19.868 -28.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -56.965 18.761 -27.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -56.673 17.593 -28.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -55.902 17.473 -27.034 1.00 0.00 H new ATOM 1214 N GLU A 74 -49.782 14.628 -29.607 1.00 0.00 N ATOM 1215 CA GLU A 74 -48.602 14.227 -30.384 1.00 0.00 C ATOM 1216 C GLU A 74 -48.435 12.713 -30.425 1.00 0.00 C ATOM 1217 O GLU A 74 -47.924 12.163 -31.399 1.00 0.00 O ATOM 1218 CB GLU A 74 -47.332 14.881 -29.834 1.00 0.00 C ATOM 1219 CG GLU A 74 -47.252 16.371 -30.102 1.00 0.00 C ATOM 1220 CD GLU A 74 -46.145 17.042 -29.329 1.00 0.00 C ATOM 1221 OE1 GLU A 74 -44.957 16.697 -29.544 1.00 0.00 O ATOM 1222 OE2 GLU A 74 -46.448 17.922 -28.504 1.00 0.00 O1- ATOM 0 H GLU A 74 -49.572 15.028 -28.692 1.00 0.00 H new ATOM 0 HA GLU A 74 -48.763 14.574 -31.405 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -47.282 14.711 -28.759 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -46.462 14.394 -30.275 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -47.097 16.537 -31.168 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -48.204 16.834 -29.842 1.00 0.00 H new ATOM 1229 N ALA A 75 -48.859 12.047 -29.376 1.00 0.00 N ATOM 1230 CA ALA A 75 -48.740 10.605 -29.303 1.00 0.00 C ATOM 1231 C ALA A 75 -50.096 9.962 -29.022 1.00 0.00 C ATOM 1232 O ALA A 75 -51.140 10.609 -29.172 1.00 0.00 O ATOM 1233 CB ALA A 75 -47.725 10.216 -28.236 1.00 0.00 C ATOM 0 H ALA A 75 -49.290 12.479 -28.559 1.00 0.00 H new ATOM 0 HA ALA A 75 -48.389 10.237 -30.267 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -47.644 9.130 -28.190 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -46.753 10.642 -28.485 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -48.051 10.597 -27.268 1.00 0.00 H new ATOM 1239 N GLU A 76 -50.083 8.702 -28.615 1.00 0.00 N ATOM 1240 CA GLU A 76 -51.307 7.976 -28.332 1.00 0.00 C ATOM 1241 C GLU A 76 -51.383 7.639 -26.841 1.00 0.00 C ATOM 1242 O GLU A 76 -52.472 7.492 -26.273 1.00 0.00 O ATOM 1243 CB GLU A 76 -51.364 6.702 -29.190 1.00 0.00 C ATOM 1244 CG GLU A 76 -52.651 5.906 -29.069 1.00 0.00 C ATOM 1245 CD GLU A 76 -52.648 4.695 -29.972 1.00 0.00 C ATOM 1246 OE1 GLU A 76 -53.216 4.771 -31.077 1.00 0.00 O ATOM 1247 OE2 GLU A 76 -52.052 3.667 -29.592 1.00 0.00 O1- ATOM 0 H GLU A 76 -49.231 8.160 -28.473 1.00 0.00 H new ATOM 0 HA GLU A 76 -52.166 8.599 -28.583 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -51.222 6.979 -30.235 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -50.529 6.058 -28.914 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -52.786 5.588 -28.035 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -53.498 6.544 -29.320 1.00 0.00 H new ATOM 1254 N GLN A 77 -50.222 7.542 -26.214 1.00 0.00 N ATOM 1255 CA GLN A 77 -50.126 7.232 -24.808 1.00 0.00 C ATOM 1256 C GLN A 77 -48.969 8.016 -24.194 1.00 0.00 C ATOM 1257 O GLN A 77 -49.214 9.114 -23.664 1.00 0.00 O ATOM 1258 CB GLN A 77 -49.926 5.720 -24.611 1.00 0.00 C ATOM 1259 CG GLN A 77 -49.970 5.262 -23.158 1.00 0.00 C ATOM 1260 CD GLN A 77 -51.319 5.508 -22.506 1.00 0.00 C ATOM 1261 OE1 GLN A 77 -51.555 6.564 -21.913 1.00 0.00 O ATOM 1262 NE2 GLN A 77 -52.212 4.543 -22.610 1.00 0.00 N ATOM 1263 OXT GLN A 77 -47.817 7.547 -24.279 1.00 0.00 O ATOM 0 H GLN A 77 -49.321 7.677 -26.672 1.00 0.00 H new ATOM 0 HA GLN A 77 -51.051 7.519 -24.308 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -50.696 5.188 -25.170 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -48.966 5.434 -25.040 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -49.736 4.198 -23.109 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -49.198 5.784 -22.593 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -51.979 3.684 -23.109 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -53.136 4.656 -22.192 1.00 0.00 H new TER 1272 GLN A 77