USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 625 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 NoAdj-H: A 24 HIS HD1 : A 24 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 50 HIS HD1 : A 50 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 53 HIS HD1 : A 53 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 30 ASN : amide:sc= -4.4! C(o=-9.1!,f=-9.6!) USER MOD Set 1.2: A 31 MET CE :methyl -170:sc= -4.75 (180deg=-4.85) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.136 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= -0.194 X(o=-0.19,f=-0.0012) USER MOD Single : A 20 THR OG1 : rot -170:sc= -0.109 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot -19:sc= 0.989 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.602 X(o=-0.6,f=-1.1) USER MOD Single : A 45 LYS NZ :NH3+ -162:sc= 0.361 (180deg=-0.202) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -5.52! C(o=-5.5!,f=-7!) USER MOD Single : A 64 LYS NZ :NH3+ -160:sc= -0.0402 (180deg=-0.324) USER MOD Single : A 66 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00918) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 68 THR OG1 : rot 33:sc= 0.118 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 THR OG1 : rot 47:sc= 0.764 USER MOD Single : A 75 ASN : amide:sc= 0.023 X(o=0.023,f=-0.24) USER MOD Single : A 78 LYS NZ :NH3+ 149:sc= 0 (180deg=-0.947) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -48.795 -8.868 10.730 1.00 0.00 N ATOM 2 CA GLY A 1 -47.543 -8.340 10.221 1.00 0.00 C ATOM 3 C GLY A 1 -47.749 -7.188 9.257 1.00 0.00 C ATOM 4 O GLY A 1 -48.427 -7.334 8.240 1.00 0.00 O ATOM 0 H1 GLY A 1 -48.600 -9.653 11.384 1.00 0.00 H new ATOM 0 H2 GLY A 1 -49.309 -8.117 11.233 1.00 0.00 H new ATOM 0 H3 GLY A 1 -49.374 -9.213 9.938 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -46.927 -8.005 11.056 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -46.994 -9.136 9.719 1.00 0.00 H new ATOM 8 N SER A 2 -47.163 -6.039 9.578 1.00 0.00 N ATOM 9 CA SER A 2 -47.290 -4.855 8.735 1.00 0.00 C ATOM 10 C SER A 2 -46.323 -4.920 7.558 1.00 0.00 C ATOM 11 O SER A 2 -46.689 -4.620 6.422 1.00 0.00 O ATOM 12 CB SER A 2 -47.029 -3.590 9.555 1.00 0.00 C ATOM 13 OG SER A 2 -45.652 -3.452 9.855 1.00 0.00 O ATOM 0 H SER A 2 -46.596 -5.902 10.415 1.00 0.00 H new ATOM 0 HA SER A 2 -48.307 -4.824 8.345 1.00 0.00 H new ATOM 0 HB2 SER A 2 -47.373 -2.716 9.001 1.00 0.00 H new ATOM 0 HB3 SER A 2 -47.604 -3.628 10.480 1.00 0.00 H new ATOM 0 HG SER A 2 -45.511 -2.635 10.378 1.00 0.00 H new ATOM 19 N SER A 3 -45.085 -5.316 7.838 1.00 0.00 N ATOM 20 CA SER A 3 -44.062 -5.417 6.803 1.00 0.00 C ATOM 21 C SER A 3 -43.979 -6.840 6.260 1.00 0.00 C ATOM 22 O SER A 3 -43.849 -7.800 7.019 1.00 0.00 O ATOM 23 CB SER A 3 -42.702 -4.990 7.358 1.00 0.00 C ATOM 24 OG SER A 3 -41.689 -5.112 6.374 1.00 0.00 O ATOM 0 H SER A 3 -44.766 -5.572 8.772 1.00 0.00 H new ATOM 0 HA SER A 3 -44.338 -4.750 5.986 1.00 0.00 H new ATOM 0 HB2 SER A 3 -42.755 -3.958 7.704 1.00 0.00 H new ATOM 0 HB3 SER A 3 -42.449 -5.604 8.223 1.00 0.00 H new ATOM 0 HG SER A 3 -40.830 -4.832 6.753 1.00 0.00 H new ATOM 30 N GLY A 4 -44.054 -6.968 4.939 1.00 0.00 N ATOM 31 CA GLY A 4 -43.986 -8.277 4.315 1.00 0.00 C ATOM 32 C GLY A 4 -43.167 -8.269 3.039 1.00 0.00 C ATOM 33 O GLY A 4 -43.573 -8.842 2.029 1.00 0.00 O ATOM 0 H GLY A 4 -44.161 -6.189 4.290 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -43.552 -8.989 5.017 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -44.995 -8.623 4.093 1.00 0.00 H new ATOM 37 N SER A 5 -42.009 -7.617 3.085 1.00 0.00 N ATOM 38 CA SER A 5 -41.133 -7.532 1.923 1.00 0.00 C ATOM 39 C SER A 5 -40.111 -8.665 1.929 1.00 0.00 C ATOM 40 O SER A 5 -39.060 -8.564 2.562 1.00 0.00 O ATOM 41 CB SER A 5 -40.414 -6.181 1.897 1.00 0.00 C ATOM 42 OG SER A 5 -40.133 -5.778 0.568 1.00 0.00 O ATOM 0 H SER A 5 -41.656 -7.140 3.915 1.00 0.00 H new ATOM 0 HA SER A 5 -41.748 -7.625 1.028 1.00 0.00 H new ATOM 0 HB2 SER A 5 -41.032 -5.427 2.386 1.00 0.00 H new ATOM 0 HB3 SER A 5 -39.485 -6.249 2.464 1.00 0.00 H new ATOM 0 HG SER A 5 -39.675 -4.912 0.579 1.00 0.00 H new ATOM 48 N SER A 6 -40.429 -9.743 1.220 1.00 0.00 N ATOM 49 CA SER A 6 -39.541 -10.898 1.145 1.00 0.00 C ATOM 50 C SER A 6 -38.142 -10.480 0.701 1.00 0.00 C ATOM 51 O SER A 6 -37.141 -10.977 1.215 1.00 0.00 O ATOM 52 CB SER A 6 -40.105 -11.940 0.178 1.00 0.00 C ATOM 53 OG SER A 6 -41.219 -12.609 0.743 1.00 0.00 O ATOM 0 H SER A 6 -41.295 -9.841 0.689 1.00 0.00 H new ATOM 0 HA SER A 6 -39.472 -11.337 2.140 1.00 0.00 H new ATOM 0 HB2 SER A 6 -40.401 -11.455 -0.752 1.00 0.00 H new ATOM 0 HB3 SER A 6 -39.330 -12.665 -0.073 1.00 0.00 H new ATOM 0 HG SER A 6 -41.563 -13.269 0.105 1.00 0.00 H new ATOM 59 N GLY A 7 -38.082 -9.562 -0.259 1.00 0.00 N ATOM 60 CA GLY A 7 -36.803 -9.092 -0.757 1.00 0.00 C ATOM 61 C GLY A 7 -35.917 -10.224 -1.237 1.00 0.00 C ATOM 62 O GLY A 7 -36.355 -11.086 -1.998 1.00 0.00 O ATOM 0 H GLY A 7 -38.897 -9.136 -0.701 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -36.970 -8.393 -1.576 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -36.289 -8.542 0.031 1.00 0.00 H new ATOM 66 N VAL A 8 -34.664 -10.222 -0.792 1.00 0.00 N ATOM 67 CA VAL A 8 -33.713 -11.256 -1.181 1.00 0.00 C ATOM 68 C VAL A 8 -32.785 -11.612 -0.025 1.00 0.00 C ATOM 69 O VAL A 8 -32.367 -10.743 0.738 1.00 0.00 O ATOM 70 CB VAL A 8 -32.865 -10.813 -2.388 1.00 0.00 C ATOM 71 CG1 VAL A 8 -33.727 -10.707 -3.637 1.00 0.00 C ATOM 72 CG2 VAL A 8 -32.171 -9.491 -2.095 1.00 0.00 C ATOM 0 H VAL A 8 -34.284 -9.516 -0.162 1.00 0.00 H new ATOM 0 HA VAL A 8 -34.296 -12.134 -1.459 1.00 0.00 H new ATOM 0 HB VAL A 8 -32.099 -11.567 -2.568 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -33.110 -10.393 -4.479 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -34.172 -11.678 -3.855 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -34.517 -9.974 -3.473 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -31.576 -9.193 -2.958 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -32.919 -8.726 -1.888 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -31.520 -9.606 -1.228 1.00 0.00 H new ATOM 82 N GLU A 9 -32.466 -12.897 0.096 1.00 0.00 N ATOM 83 CA GLU A 9 -31.587 -13.368 1.160 1.00 0.00 C ATOM 84 C GLU A 9 -30.211 -12.717 1.057 1.00 0.00 C ATOM 85 O GLU A 9 -29.699 -12.457 -0.032 1.00 0.00 O ATOM 86 CB GLU A 9 -31.449 -14.891 1.101 1.00 0.00 C ATOM 87 CG GLU A 9 -30.588 -15.379 -0.052 1.00 0.00 C ATOM 88 CD GLU A 9 -30.192 -16.836 0.092 1.00 0.00 C ATOM 89 OE1 GLU A 9 -29.390 -17.145 0.998 1.00 0.00 O ATOM 90 OE2 GLU A 9 -30.683 -17.666 -0.701 1.00 0.00 O ATOM 0 H GLU A 9 -32.803 -13.630 -0.529 1.00 0.00 H new ATOM 0 HA GLU A 9 -32.032 -13.088 2.115 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -31.021 -15.245 2.039 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -32.441 -15.334 1.016 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -31.130 -15.244 -0.988 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -29.689 -14.766 -0.114 1.00 0.00 H new ATOM 97 N PRO A 10 -29.597 -12.446 2.218 1.00 0.00 N ATOM 98 CA PRO A 10 -28.272 -11.822 2.287 1.00 0.00 C ATOM 99 C PRO A 10 -27.166 -12.755 1.806 1.00 0.00 C ATOM 100 O PRO A 10 -27.140 -13.935 2.156 1.00 0.00 O ATOM 101 CB PRO A 10 -28.102 -11.513 3.776 1.00 0.00 C ATOM 102 CG PRO A 10 -28.977 -12.499 4.470 1.00 0.00 C ATOM 103 CD PRO A 10 -30.148 -12.729 3.554 1.00 0.00 C ATOM 0 HA PRO A 10 -28.201 -10.944 1.645 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -27.062 -11.619 4.086 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -28.400 -10.490 4.004 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -28.442 -13.429 4.661 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -29.306 -12.117 5.436 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -30.520 -13.751 3.627 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -30.981 -12.068 3.793 1.00 0.00 H new ATOM 111 N VAL A 11 -26.253 -12.219 1.002 1.00 0.00 N ATOM 112 CA VAL A 11 -25.143 -13.004 0.475 1.00 0.00 C ATOM 113 C VAL A 11 -23.804 -12.438 0.933 1.00 0.00 C ATOM 114 O VAL A 11 -23.589 -11.226 0.958 1.00 0.00 O ATOM 115 CB VAL A 11 -25.169 -13.050 -1.064 1.00 0.00 C ATOM 116 CG1 VAL A 11 -23.974 -13.826 -1.596 1.00 0.00 C ATOM 117 CG2 VAL A 11 -26.473 -13.659 -1.557 1.00 0.00 C ATOM 0 H VAL A 11 -26.260 -11.244 0.701 1.00 0.00 H new ATOM 0 HA VAL A 11 -25.258 -14.016 0.863 1.00 0.00 H new ATOM 0 HB VAL A 11 -25.106 -12.029 -1.441 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -24.010 -13.848 -2.685 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -23.053 -13.342 -1.273 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -24.002 -14.846 -1.212 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -26.474 -13.684 -2.647 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -26.569 -14.674 -1.171 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -27.311 -13.057 -1.207 1.00 0.00 H new ATOM 127 N PRO A 12 -22.878 -13.336 1.304 1.00 0.00 N ATOM 128 CA PRO A 12 -21.542 -12.950 1.767 1.00 0.00 C ATOM 129 C PRO A 12 -20.681 -12.380 0.645 1.00 0.00 C ATOM 130 O PRO A 12 -21.130 -12.263 -0.496 1.00 0.00 O ATOM 131 CB PRO A 12 -20.951 -14.265 2.281 1.00 0.00 C ATOM 132 CG PRO A 12 -21.676 -15.326 1.527 1.00 0.00 C ATOM 133 CD PRO A 12 -23.065 -14.796 1.300 1.00 0.00 C ATOM 0 HA PRO A 12 -21.583 -12.163 2.520 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -19.877 -14.314 2.100 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -21.098 -14.372 3.356 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -21.180 -15.540 0.580 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -21.701 -16.258 2.091 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -23.479 -15.145 0.354 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -23.750 -15.115 2.085 1.00 0.00 H new ATOM 141 N ASP A 13 -19.443 -12.030 0.975 1.00 0.00 N ATOM 142 CA ASP A 13 -18.519 -11.474 -0.007 1.00 0.00 C ATOM 143 C ASP A 13 -17.764 -12.584 -0.731 1.00 0.00 C ATOM 144 O ASP A 13 -16.924 -13.266 -0.142 1.00 0.00 O ATOM 145 CB ASP A 13 -17.529 -10.526 0.672 1.00 0.00 C ATOM 146 CG ASP A 13 -18.218 -9.357 1.348 1.00 0.00 C ATOM 147 OD1 ASP A 13 -18.876 -9.575 2.387 1.00 0.00 O ATOM 148 OD2 ASP A 13 -18.100 -8.223 0.837 1.00 0.00 O ATOM 0 H ASP A 13 -19.056 -12.121 1.914 1.00 0.00 H new ATOM 0 HA ASP A 13 -19.100 -10.915 -0.741 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -16.949 -11.079 1.411 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -16.824 -10.149 -0.069 1.00 0.00 H new ATOM 153 N THR A 14 -18.068 -12.762 -2.013 1.00 0.00 N ATOM 154 CA THR A 14 -17.420 -13.790 -2.817 1.00 0.00 C ATOM 155 C THR A 14 -16.689 -13.178 -4.006 1.00 0.00 C ATOM 156 O THR A 14 -17.264 -12.402 -4.770 1.00 0.00 O ATOM 157 CB THR A 14 -18.438 -14.825 -3.332 1.00 0.00 C ATOM 158 OG1 THR A 14 -17.772 -15.817 -4.121 1.00 0.00 O ATOM 159 CG2 THR A 14 -19.521 -14.152 -4.163 1.00 0.00 C ATOM 0 H THR A 14 -18.760 -12.207 -2.517 1.00 0.00 H new ATOM 0 HA THR A 14 -16.700 -14.291 -2.170 1.00 0.00 H new ATOM 0 HB THR A 14 -18.906 -15.301 -2.470 1.00 0.00 H new ATOM 0 HG1 THR A 14 -18.426 -16.472 -4.443 1.00 0.00 H new ATOM 0 HG21 THR A 14 -20.228 -14.903 -4.516 1.00 0.00 H new ATOM 0 HG22 THR A 14 -20.046 -13.418 -3.551 1.00 0.00 H new ATOM 0 HG23 THR A 14 -19.066 -13.652 -5.018 1.00 0.00 H new ATOM 167 N HIS A 15 -15.417 -13.533 -4.160 1.00 0.00 N ATOM 168 CA HIS A 15 -14.606 -13.020 -5.258 1.00 0.00 C ATOM 169 C HIS A 15 -15.135 -13.516 -6.601 1.00 0.00 C ATOM 170 O HIS A 15 -15.895 -14.483 -6.662 1.00 0.00 O ATOM 171 CB HIS A 15 -13.147 -13.441 -5.084 1.00 0.00 C ATOM 172 CG HIS A 15 -12.914 -14.903 -5.313 1.00 0.00 C ATOM 173 ND1 HIS A 15 -11.809 -15.394 -5.975 1.00 0.00 N ATOM 174 CD2 HIS A 15 -13.651 -15.982 -4.962 1.00 0.00 C ATOM 175 CE1 HIS A 15 -11.877 -16.712 -6.023 1.00 0.00 C ATOM 176 NE2 HIS A 15 -12.985 -17.094 -5.415 1.00 0.00 N ATOM 0 H HIS A 15 -14.926 -14.174 -3.537 1.00 0.00 H new ATOM 0 HA HIS A 15 -14.665 -11.932 -5.243 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -12.528 -12.870 -5.776 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -12.821 -13.183 -4.077 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -14.588 -15.971 -4.426 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -11.150 -17.366 -6.482 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -13.296 -18.059 -5.300 1.00 0.00 H new ATOM 184 N LEU A 16 -14.728 -12.847 -7.674 1.00 0.00 N ATOM 185 CA LEU A 16 -15.161 -13.220 -9.017 1.00 0.00 C ATOM 186 C LEU A 16 -14.004 -13.809 -9.818 1.00 0.00 C ATOM 187 O LEU A 16 -12.847 -13.433 -9.625 1.00 0.00 O ATOM 188 CB LEU A 16 -15.733 -12.003 -9.745 1.00 0.00 C ATOM 189 CG LEU A 16 -15.705 -12.060 -11.273 1.00 0.00 C ATOM 190 CD1 LEU A 16 -16.614 -13.167 -11.783 1.00 0.00 C ATOM 191 CD2 LEU A 16 -16.111 -10.718 -11.865 1.00 0.00 C ATOM 0 H LEU A 16 -14.099 -12.044 -7.641 1.00 0.00 H new ATOM 0 HA LEU A 16 -15.938 -13.979 -8.925 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -16.766 -11.866 -9.425 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -15.180 -11.120 -9.424 1.00 0.00 H new ATOM 0 HG LEU A 16 -14.686 -12.280 -11.590 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -16.581 -13.192 -12.872 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -16.277 -14.125 -11.388 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -17.636 -12.978 -11.455 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -16.085 -10.778 -12.953 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -17.120 -10.467 -11.539 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -15.418 -9.947 -11.527 1.00 0.00 H new ATOM 203 N ARG A 17 -14.324 -14.732 -10.718 1.00 0.00 N ATOM 204 CA ARG A 17 -13.312 -15.372 -11.550 1.00 0.00 C ATOM 205 C ARG A 17 -12.448 -14.330 -12.254 1.00 0.00 C ATOM 206 O ARG A 17 -11.225 -14.328 -12.119 1.00 0.00 O ATOM 207 CB ARG A 17 -13.973 -16.285 -12.584 1.00 0.00 C ATOM 208 CG ARG A 17 -14.214 -17.699 -12.083 1.00 0.00 C ATOM 209 CD ARG A 17 -13.032 -18.607 -12.387 1.00 0.00 C ATOM 210 NE ARG A 17 -13.281 -19.986 -11.978 1.00 0.00 N ATOM 211 CZ ARG A 17 -13.188 -20.409 -10.722 1.00 0.00 C ATOM 212 NH1 ARG A 17 -12.852 -19.563 -9.758 1.00 0.00 N ATOM 213 NH2 ARG A 17 -13.430 -21.680 -10.429 1.00 0.00 N ATOM 0 H ARG A 17 -15.276 -15.054 -10.890 1.00 0.00 H new ATOM 0 HA ARG A 17 -12.672 -15.972 -10.903 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -14.925 -15.848 -12.886 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -13.345 -16.326 -13.474 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -14.392 -17.680 -11.008 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -15.113 -18.103 -12.548 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -12.819 -18.579 -13.456 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -12.146 -18.232 -11.875 1.00 0.00 H new ATOM 0 HE ARG A 17 -13.541 -20.662 -12.696 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -12.664 -18.585 -9.980 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -12.781 -19.890 -8.794 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -13.688 -22.334 -11.168 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -13.358 -22.004 -9.464 1.00 0.00 H new ATOM 227 N GLY A 18 -13.094 -13.444 -13.007 1.00 0.00 N ATOM 228 CA GLY A 18 -12.369 -12.409 -13.721 1.00 0.00 C ATOM 229 C GLY A 18 -11.334 -11.721 -12.853 1.00 0.00 C ATOM 230 O GLY A 18 -11.679 -11.050 -11.880 1.00 0.00 O ATOM 0 H GLY A 18 -14.106 -13.425 -13.135 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -11.877 -12.848 -14.589 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -13.075 -11.668 -14.096 1.00 0.00 H new ATOM 234 N ILE A 19 -10.064 -11.889 -13.204 1.00 0.00 N ATOM 235 CA ILE A 19 -8.977 -11.279 -12.449 1.00 0.00 C ATOM 236 C ILE A 19 -9.131 -9.763 -12.389 1.00 0.00 C ATOM 237 O ILE A 19 -9.033 -9.077 -13.407 1.00 0.00 O ATOM 238 CB ILE A 19 -7.605 -11.620 -13.061 1.00 0.00 C ATOM 239 CG1 ILE A 19 -7.394 -13.135 -13.081 1.00 0.00 C ATOM 240 CG2 ILE A 19 -6.492 -10.935 -12.282 1.00 0.00 C ATOM 241 CD1 ILE A 19 -6.172 -13.565 -13.862 1.00 0.00 C ATOM 0 H ILE A 19 -9.762 -12.442 -14.006 1.00 0.00 H new ATOM 0 HA ILE A 19 -9.027 -11.687 -11.440 1.00 0.00 H new ATOM 0 HB ILE A 19 -7.581 -11.255 -14.088 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -7.305 -13.495 -12.056 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -8.276 -13.611 -13.511 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -5.529 -11.186 -12.727 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -6.636 -9.855 -12.315 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -6.512 -11.273 -11.246 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -6.085 -14.651 -13.833 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -6.267 -13.236 -14.897 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.282 -13.118 -13.420 1.00 0.00 H new ATOM 253 N THR A 20 -9.372 -9.245 -11.189 1.00 0.00 N ATOM 254 CA THR A 20 -9.540 -7.810 -10.996 1.00 0.00 C ATOM 255 C THR A 20 -8.598 -7.287 -9.917 1.00 0.00 C ATOM 256 O THR A 20 -7.892 -8.058 -9.268 1.00 0.00 O ATOM 257 CB THR A 20 -10.989 -7.461 -10.609 1.00 0.00 C ATOM 258 OG1 THR A 20 -11.446 -8.340 -9.575 1.00 0.00 O ATOM 259 CG2 THR A 20 -11.911 -7.566 -11.815 1.00 0.00 C ATOM 0 H THR A 20 -9.455 -9.798 -10.336 1.00 0.00 H new ATOM 0 HA THR A 20 -9.301 -7.333 -11.946 1.00 0.00 H new ATOM 0 HB THR A 20 -11.007 -6.434 -10.245 1.00 0.00 H new ATOM 0 HG1 THR A 20 -12.410 -8.219 -9.445 1.00 0.00 H new ATOM 0 HG21 THR A 20 -12.929 -7.315 -11.518 1.00 0.00 H new ATOM 0 HG22 THR A 20 -11.578 -6.874 -12.589 1.00 0.00 H new ATOM 0 HG23 THR A 20 -11.887 -8.584 -12.204 1.00 0.00 H new ATOM 267 N CYS A 21 -8.593 -5.971 -9.730 1.00 0.00 N ATOM 268 CA CYS A 21 -7.738 -5.344 -8.729 1.00 0.00 C ATOM 269 C CYS A 21 -8.301 -5.551 -7.326 1.00 0.00 C ATOM 270 O CYS A 21 -9.466 -5.250 -7.061 1.00 0.00 O ATOM 271 CB CYS A 21 -7.594 -3.848 -9.017 1.00 0.00 C ATOM 272 SG CYS A 21 -6.692 -2.927 -7.730 1.00 0.00 S ATOM 0 H CYS A 21 -9.172 -5.318 -10.259 1.00 0.00 H new ATOM 0 HA CYS A 21 -6.756 -5.814 -8.780 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -7.079 -3.720 -9.969 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -8.587 -3.414 -9.131 1.00 0.00 H new ATOM 277 N LEU A 22 -7.466 -6.067 -6.431 1.00 0.00 N ATOM 278 CA LEU A 22 -7.879 -6.315 -5.054 1.00 0.00 C ATOM 279 C LEU A 22 -8.787 -5.199 -4.548 1.00 0.00 C ATOM 280 O LEU A 22 -9.947 -5.434 -4.208 1.00 0.00 O ATOM 281 CB LEU A 22 -6.653 -6.441 -4.148 1.00 0.00 C ATOM 282 CG LEU A 22 -5.857 -7.741 -4.272 1.00 0.00 C ATOM 283 CD1 LEU A 22 -4.443 -7.554 -3.743 1.00 0.00 C ATOM 284 CD2 LEU A 22 -6.560 -8.869 -3.532 1.00 0.00 C ATOM 0 H LEU A 22 -6.499 -6.322 -6.634 1.00 0.00 H new ATOM 0 HA LEU A 22 -8.438 -7.251 -5.031 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.983 -5.607 -4.358 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.979 -6.335 -3.113 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.796 -8.008 -5.327 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.892 -8.489 -3.839 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.940 -6.776 -4.317 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.483 -7.263 -2.693 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.980 -9.786 -3.631 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.653 -8.610 -2.477 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.552 -9.020 -3.957 1.00 0.00 H new ATOM 296 N ASP A 23 -8.253 -3.984 -4.503 1.00 0.00 N ATOM 297 CA ASP A 23 -9.015 -2.829 -4.042 1.00 0.00 C ATOM 298 C ASP A 23 -10.217 -2.575 -4.948 1.00 0.00 C ATOM 299 O ASP A 23 -11.313 -2.277 -4.473 1.00 0.00 O ATOM 300 CB ASP A 23 -8.124 -1.587 -3.996 1.00 0.00 C ATOM 301 CG ASP A 23 -6.890 -1.792 -3.140 1.00 0.00 C ATOM 302 OD1 ASP A 23 -6.251 -2.858 -3.265 1.00 0.00 O ATOM 303 OD2 ASP A 23 -6.563 -0.887 -2.344 1.00 0.00 O ATOM 0 H ASP A 23 -7.294 -3.773 -4.780 1.00 0.00 H new ATOM 0 HA ASP A 23 -9.378 -3.042 -3.037 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -7.820 -1.323 -5.009 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -8.698 -0.746 -3.606 1.00 0.00 H new ATOM 308 N HIS A 24 -10.002 -2.694 -6.254 1.00 0.00 N ATOM 309 CA HIS A 24 -11.067 -2.476 -7.227 1.00 0.00 C ATOM 310 C HIS A 24 -11.379 -3.762 -7.987 1.00 0.00 C ATOM 311 O HIS A 24 -10.615 -4.179 -8.857 1.00 0.00 O ATOM 312 CB HIS A 24 -10.673 -1.372 -8.208 1.00 0.00 C ATOM 313 CG HIS A 24 -9.998 -0.205 -7.556 1.00 0.00 C ATOM 314 ND1 HIS A 24 -8.631 -0.123 -7.389 1.00 0.00 N ATOM 315 CD2 HIS A 24 -10.508 0.933 -7.031 1.00 0.00 C ATOM 316 CE1 HIS A 24 -8.331 1.014 -6.787 1.00 0.00 C ATOM 317 NE2 HIS A 24 -9.452 1.674 -6.560 1.00 0.00 N ATOM 0 H HIS A 24 -9.101 -2.940 -6.663 1.00 0.00 H new ATOM 0 HA HIS A 24 -11.962 -2.168 -6.687 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -10.009 -1.790 -8.964 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -11.566 -1.022 -8.726 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -11.552 1.208 -6.990 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -7.338 1.347 -6.525 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -9.522 2.586 -6.108 1.00 0.00 H new ATOM 325 N GLU A 25 -12.506 -4.383 -7.653 1.00 0.00 N ATOM 326 CA GLU A 25 -12.916 -5.622 -8.304 1.00 0.00 C ATOM 327 C GLU A 25 -13.619 -5.333 -9.628 1.00 0.00 C ATOM 328 O GLU A 25 -14.518 -6.066 -10.038 1.00 0.00 O ATOM 329 CB GLU A 25 -13.842 -6.423 -7.387 1.00 0.00 C ATOM 330 CG GLU A 25 -15.130 -5.697 -7.037 1.00 0.00 C ATOM 331 CD GLU A 25 -15.007 -4.865 -5.776 1.00 0.00 C ATOM 332 OE1 GLU A 25 -14.419 -5.361 -4.792 1.00 0.00 O ATOM 333 OE2 GLU A 25 -15.499 -3.717 -5.773 1.00 0.00 O ATOM 0 H GLU A 25 -13.151 -4.049 -6.936 1.00 0.00 H new ATOM 0 HA GLU A 25 -12.021 -6.210 -8.508 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -14.088 -7.369 -7.870 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -13.309 -6.664 -6.467 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -15.416 -5.051 -7.867 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -15.930 -6.426 -6.910 1.00 0.00 H new ATOM 340 N ASN A 26 -13.201 -4.260 -10.291 1.00 0.00 N ATOM 341 CA ASN A 26 -13.790 -3.873 -11.568 1.00 0.00 C ATOM 342 C ASN A 26 -12.706 -3.578 -12.600 1.00 0.00 C ATOM 343 O ASN A 26 -12.835 -3.937 -13.770 1.00 0.00 O ATOM 344 CB ASN A 26 -14.687 -2.647 -11.389 1.00 0.00 C ATOM 345 CG ASN A 26 -16.102 -3.019 -10.989 1.00 0.00 C ATOM 346 OD1 ASN A 26 -16.757 -3.821 -11.655 1.00 0.00 O ATOM 347 ND2 ASN A 26 -16.580 -2.436 -9.896 1.00 0.00 N ATOM 0 H ASN A 26 -12.457 -3.643 -9.965 1.00 0.00 H new ATOM 0 HA ASN A 26 -14.393 -4.706 -11.929 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -14.258 -1.994 -10.629 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -14.713 -2.080 -12.320 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -17.526 -2.647 -9.578 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -16.001 -1.777 -9.375 1.00 0.00 H new ATOM 354 N GLU A 27 -11.638 -2.922 -12.157 1.00 0.00 N ATOM 355 CA GLU A 27 -10.532 -2.578 -13.043 1.00 0.00 C ATOM 356 C GLU A 27 -9.447 -3.650 -13.000 1.00 0.00 C ATOM 357 O GLU A 27 -8.795 -3.850 -11.974 1.00 0.00 O ATOM 358 CB GLU A 27 -9.940 -1.222 -12.654 1.00 0.00 C ATOM 359 CG GLU A 27 -10.857 -0.049 -12.955 1.00 0.00 C ATOM 360 CD GLU A 27 -11.008 0.208 -14.442 1.00 0.00 C ATOM 361 OE1 GLU A 27 -11.538 -0.678 -15.145 1.00 0.00 O ATOM 362 OE2 GLU A 27 -10.596 1.293 -14.902 1.00 0.00 O ATOM 0 H GLU A 27 -11.515 -2.618 -11.191 1.00 0.00 H new ATOM 0 HA GLU A 27 -10.920 -2.518 -14.060 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -9.709 -1.228 -11.589 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -8.998 -1.081 -13.184 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -11.839 -0.240 -12.522 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -10.465 0.847 -12.473 1.00 0.00 H new ATOM 369 N LYS A 28 -9.258 -4.339 -14.120 1.00 0.00 N ATOM 370 CA LYS A 28 -8.252 -5.390 -14.213 1.00 0.00 C ATOM 371 C LYS A 28 -6.845 -4.806 -14.143 1.00 0.00 C ATOM 372 O LYS A 28 -6.420 -4.076 -15.038 1.00 0.00 O ATOM 373 CB LYS A 28 -8.425 -6.176 -15.515 1.00 0.00 C ATOM 374 CG LYS A 28 -9.781 -6.848 -15.644 1.00 0.00 C ATOM 375 CD LYS A 28 -10.796 -5.933 -16.308 1.00 0.00 C ATOM 376 CE LYS A 28 -11.841 -6.725 -17.078 1.00 0.00 C ATOM 377 NZ LYS A 28 -12.592 -5.868 -18.036 1.00 0.00 N ATOM 0 H LYS A 28 -9.789 -4.188 -14.977 1.00 0.00 H new ATOM 0 HA LYS A 28 -8.388 -6.064 -13.367 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -8.282 -5.501 -16.359 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.645 -6.935 -15.578 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -9.680 -7.764 -16.226 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -10.141 -7.136 -14.656 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.287 -5.322 -15.550 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -10.283 -5.250 -16.986 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -11.355 -7.536 -17.620 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -12.539 -7.183 -16.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -13.295 -6.445 -18.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -13.077 -5.109 -17.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.930 -5.451 -18.721 1.00 0.00 H new ATOM 391 N VAL A 29 -6.127 -5.131 -13.073 1.00 0.00 N ATOM 392 CA VAL A 29 -4.766 -4.640 -12.887 1.00 0.00 C ATOM 393 C VAL A 29 -3.963 -4.747 -14.178 1.00 0.00 C ATOM 394 O VAL A 29 -3.726 -5.843 -14.685 1.00 0.00 O ATOM 395 CB VAL A 29 -4.036 -5.416 -11.775 1.00 0.00 C ATOM 396 CG1 VAL A 29 -4.418 -4.873 -10.406 1.00 0.00 C ATOM 397 CG2 VAL A 29 -4.345 -6.903 -11.873 1.00 0.00 C ATOM 0 H VAL A 29 -6.465 -5.732 -12.321 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.844 -3.592 -12.597 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.962 -5.281 -11.906 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.893 -5.433 -9.633 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.142 -3.820 -10.342 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.493 -4.976 -10.261 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.821 -7.437 -11.080 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.419 -7.059 -11.768 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.017 -7.280 -12.842 1.00 0.00 H new ATOM 407 N ASN A 30 -3.545 -3.601 -14.705 1.00 0.00 N ATOM 408 CA ASN A 30 -2.767 -3.565 -15.938 1.00 0.00 C ATOM 409 C ASN A 30 -1.453 -2.817 -15.731 1.00 0.00 C ATOM 410 O ASN A 30 -0.839 -2.344 -16.687 1.00 0.00 O ATOM 411 CB ASN A 30 -3.574 -2.902 -17.056 1.00 0.00 C ATOM 412 CG ASN A 30 -3.557 -1.388 -16.961 1.00 0.00 C ATOM 413 OD1 ASN A 30 -2.891 -0.713 -17.746 1.00 0.00 O ATOM 414 ND2 ASN A 30 -4.293 -0.848 -15.997 1.00 0.00 N ATOM 0 H ASN A 30 -3.732 -2.685 -14.298 1.00 0.00 H new ATOM 0 HA ASN A 30 -2.539 -4.592 -16.224 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -3.171 -3.207 -18.022 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -4.605 -3.254 -17.015 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -4.322 0.165 -15.884 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -4.829 -1.446 -15.369 1.00 0.00 H new ATOM 421 N MET A 31 -1.028 -2.715 -14.476 1.00 0.00 N ATOM 422 CA MET A 31 0.214 -2.026 -14.144 1.00 0.00 C ATOM 423 C MET A 31 1.000 -2.801 -13.091 1.00 0.00 C ATOM 424 O MET A 31 0.487 -3.745 -12.489 1.00 0.00 O ATOM 425 CB MET A 31 -0.082 -0.613 -13.639 1.00 0.00 C ATOM 426 CG MET A 31 -0.162 0.424 -14.748 1.00 0.00 C ATOM 427 SD MET A 31 -1.822 0.581 -15.433 1.00 0.00 S ATOM 428 CE MET A 31 -2.643 1.490 -14.126 1.00 0.00 C ATOM 0 H MET A 31 -1.525 -3.100 -13.673 1.00 0.00 H new ATOM 0 HA MET A 31 0.819 -1.961 -15.049 1.00 0.00 H new ATOM 0 HB2 MET A 31 -1.025 -0.621 -13.092 1.00 0.00 H new ATOM 0 HB3 MET A 31 0.694 -0.318 -12.932 1.00 0.00 H new ATOM 0 HG2 MET A 31 0.160 1.391 -14.360 1.00 0.00 H new ATOM 0 HG3 MET A 31 0.531 0.153 -15.544 1.00 0.00 H new ATOM 0 HE1 MET A 31 -3.716 1.512 -14.316 1.00 0.00 H new ATOM 0 HE2 MET A 31 -2.454 1.002 -13.170 1.00 0.00 H new ATOM 0 HE3 MET A 31 -2.259 2.510 -14.095 1.00 0.00 H new ATOM 438 N TYR A 32 2.246 -2.396 -12.874 1.00 0.00 N ATOM 439 CA TYR A 32 3.104 -3.055 -11.895 1.00 0.00 C ATOM 440 C TYR A 32 3.899 -2.030 -11.092 1.00 0.00 C ATOM 441 O TYR A 32 4.795 -1.370 -11.618 1.00 0.00 O ATOM 442 CB TYR A 32 4.059 -4.024 -12.594 1.00 0.00 C ATOM 443 CG TYR A 32 5.333 -4.282 -11.820 1.00 0.00 C ATOM 444 CD1 TYR A 32 5.345 -5.145 -10.731 1.00 0.00 C ATOM 445 CD2 TYR A 32 6.524 -3.662 -12.177 1.00 0.00 C ATOM 446 CE1 TYR A 32 6.505 -5.383 -10.021 1.00 0.00 C ATOM 447 CE2 TYR A 32 7.689 -3.895 -11.474 1.00 0.00 C ATOM 448 CZ TYR A 32 7.675 -4.756 -10.397 1.00 0.00 C ATOM 449 OH TYR A 32 8.834 -4.990 -9.693 1.00 0.00 O ATOM 0 H TYR A 32 2.685 -1.615 -13.362 1.00 0.00 H new ATOM 0 HA TYR A 32 2.468 -3.614 -11.209 1.00 0.00 H new ATOM 0 HB2 TYR A 32 3.546 -4.971 -12.759 1.00 0.00 H new ATOM 0 HB3 TYR A 32 4.314 -3.625 -13.576 1.00 0.00 H new ATOM 0 HD1 TYR A 32 4.431 -5.638 -10.435 1.00 0.00 H new ATOM 0 HD2 TYR A 32 6.539 -2.986 -13.019 1.00 0.00 H new ATOM 0 HE1 TYR A 32 6.497 -6.056 -9.176 1.00 0.00 H new ATOM 0 HE2 TYR A 32 8.606 -3.406 -11.766 1.00 0.00 H new ATOM 0 HH TYR A 32 8.613 -5.357 -8.812 1.00 0.00 H new ATOM 459 N CYS A 33 3.565 -1.904 -9.812 1.00 0.00 N ATOM 460 CA CYS A 33 4.246 -0.961 -8.932 1.00 0.00 C ATOM 461 C CYS A 33 5.670 -1.423 -8.638 1.00 0.00 C ATOM 462 O CYS A 33 5.906 -2.596 -8.349 1.00 0.00 O ATOM 463 CB CYS A 33 3.469 -0.800 -7.624 1.00 0.00 C ATOM 464 SG CYS A 33 3.869 0.722 -6.705 1.00 0.00 S ATOM 0 H CYS A 33 2.826 -2.443 -9.361 1.00 0.00 H new ATOM 0 HA CYS A 33 4.293 0.003 -9.439 1.00 0.00 H new ATOM 0 HB2 CYS A 33 2.402 -0.809 -7.844 1.00 0.00 H new ATOM 0 HB3 CYS A 33 3.670 -1.661 -6.986 1.00 0.00 H new ATOM 469 N VAL A 34 6.616 -0.493 -8.713 1.00 0.00 N ATOM 470 CA VAL A 34 8.016 -0.803 -8.453 1.00 0.00 C ATOM 471 C VAL A 34 8.321 -0.762 -6.960 1.00 0.00 C ATOM 472 O VAL A 34 8.915 -1.690 -6.411 1.00 0.00 O ATOM 473 CB VAL A 34 8.953 0.177 -9.184 1.00 0.00 C ATOM 474 CG1 VAL A 34 10.407 -0.132 -8.859 1.00 0.00 C ATOM 475 CG2 VAL A 34 8.711 0.125 -10.685 1.00 0.00 C ATOM 0 H VAL A 34 6.438 0.482 -8.952 1.00 0.00 H new ATOM 0 HA VAL A 34 8.191 -1.811 -8.829 1.00 0.00 H new ATOM 0 HB VAL A 34 8.735 1.188 -8.839 1.00 0.00 H new ATOM 0 HG11 VAL A 34 11.054 0.570 -9.384 1.00 0.00 H new ATOM 0 HG12 VAL A 34 10.567 -0.040 -7.785 1.00 0.00 H new ATOM 0 HG13 VAL A 34 10.642 -1.148 -9.175 1.00 0.00 H new ATOM 0 HG21 VAL A 34 9.381 0.823 -11.186 1.00 0.00 H new ATOM 0 HG22 VAL A 34 8.901 -0.885 -11.049 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.677 0.399 -10.897 1.00 0.00 H new ATOM 485 N SER A 35 7.908 0.320 -6.307 1.00 0.00 N ATOM 486 CA SER A 35 8.140 0.485 -4.877 1.00 0.00 C ATOM 487 C SER A 35 7.409 -0.593 -4.081 1.00 0.00 C ATOM 488 O SER A 35 8.003 -1.272 -3.244 1.00 0.00 O ATOM 489 CB SER A 35 7.681 1.871 -4.421 1.00 0.00 C ATOM 490 OG SER A 35 8.529 2.883 -4.934 1.00 0.00 O ATOM 0 H SER A 35 7.411 1.095 -6.746 1.00 0.00 H new ATOM 0 HA SER A 35 9.210 0.386 -4.693 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.658 2.046 -4.754 1.00 0.00 H new ATOM 0 HB3 SER A 35 7.674 1.915 -3.332 1.00 0.00 H new ATOM 0 HG SER A 35 8.213 3.760 -4.630 1.00 0.00 H new ATOM 496 N ASP A 36 6.117 -0.743 -4.349 1.00 0.00 N ATOM 497 CA ASP A 36 5.303 -1.738 -3.660 1.00 0.00 C ATOM 498 C ASP A 36 5.608 -3.141 -4.175 1.00 0.00 C ATOM 499 O ASP A 36 5.627 -4.104 -3.409 1.00 0.00 O ATOM 500 CB ASP A 36 3.817 -1.427 -3.840 1.00 0.00 C ATOM 501 CG ASP A 36 3.372 -0.231 -3.022 1.00 0.00 C ATOM 502 OD1 ASP A 36 3.503 -0.280 -1.781 1.00 0.00 O ATOM 503 OD2 ASP A 36 2.892 0.754 -3.622 1.00 0.00 O ATOM 0 H ASP A 36 5.610 -0.188 -5.039 1.00 0.00 H new ATOM 0 HA ASP A 36 5.548 -1.699 -2.599 1.00 0.00 H new ATOM 0 HB2 ASP A 36 3.613 -1.238 -4.894 1.00 0.00 H new ATOM 0 HB3 ASP A 36 3.229 -2.299 -3.553 1.00 0.00 H new ATOM 508 N ASP A 37 5.846 -3.248 -5.478 1.00 0.00 N ATOM 509 CA ASP A 37 6.150 -4.533 -6.096 1.00 0.00 C ATOM 510 C ASP A 37 4.905 -5.413 -6.162 1.00 0.00 C ATOM 511 O ASP A 37 4.952 -6.596 -5.825 1.00 0.00 O ATOM 512 CB ASP A 37 7.255 -5.249 -5.318 1.00 0.00 C ATOM 513 CG ASP A 37 7.903 -6.359 -6.121 1.00 0.00 C ATOM 514 OD1 ASP A 37 8.618 -6.047 -7.097 1.00 0.00 O ATOM 515 OD2 ASP A 37 7.697 -7.541 -5.774 1.00 0.00 O ATOM 0 H ASP A 37 5.834 -2.460 -6.126 1.00 0.00 H new ATOM 0 HA ASP A 37 6.495 -4.346 -7.113 1.00 0.00 H new ATOM 0 HB2 ASP A 37 8.016 -4.526 -5.024 1.00 0.00 H new ATOM 0 HB3 ASP A 37 6.839 -5.664 -4.400 1.00 0.00 H new ATOM 520 N GLN A 38 3.795 -4.826 -6.597 1.00 0.00 N ATOM 521 CA GLN A 38 2.537 -5.557 -6.705 1.00 0.00 C ATOM 522 C GLN A 38 1.723 -5.065 -7.896 1.00 0.00 C ATOM 523 O GLN A 38 1.919 -3.949 -8.378 1.00 0.00 O ATOM 524 CB GLN A 38 1.724 -5.406 -5.418 1.00 0.00 C ATOM 525 CG GLN A 38 0.603 -6.425 -5.284 1.00 0.00 C ATOM 526 CD GLN A 38 1.068 -7.842 -5.554 1.00 0.00 C ATOM 527 OE1 GLN A 38 2.199 -8.209 -5.234 1.00 0.00 O ATOM 528 NE2 GLN A 38 0.195 -8.650 -6.145 1.00 0.00 N ATOM 0 H GLN A 38 3.741 -3.848 -6.880 1.00 0.00 H new ATOM 0 HA GLN A 38 2.769 -6.611 -6.858 1.00 0.00 H new ATOM 0 HB2 GLN A 38 2.393 -5.499 -4.562 1.00 0.00 H new ATOM 0 HB3 GLN A 38 1.299 -4.403 -5.382 1.00 0.00 H new ATOM 0 HG2 GLN A 38 0.184 -6.369 -4.279 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -0.199 -6.171 -5.978 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -0.732 -8.305 -6.393 1.00 0.00 H new ATOM 0 HE22 GLN A 38 0.452 -9.616 -6.350 1.00 0.00 H new ATOM 537 N LEU A 39 0.808 -5.905 -8.368 1.00 0.00 N ATOM 538 CA LEU A 39 -0.037 -5.557 -9.505 1.00 0.00 C ATOM 539 C LEU A 39 -1.146 -4.596 -9.085 1.00 0.00 C ATOM 540 O LEU A 39 -1.934 -4.897 -8.188 1.00 0.00 O ATOM 541 CB LEU A 39 -0.646 -6.818 -10.119 1.00 0.00 C ATOM 542 CG LEU A 39 0.342 -7.919 -10.507 1.00 0.00 C ATOM 543 CD1 LEU A 39 -0.396 -9.212 -10.819 1.00 0.00 C ATOM 544 CD2 LEU A 39 1.185 -7.484 -11.697 1.00 0.00 C ATOM 0 H LEU A 39 0.632 -6.832 -7.981 1.00 0.00 H new ATOM 0 HA LEU A 39 0.586 -5.062 -10.250 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.363 -7.233 -9.411 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.207 -6.531 -11.008 1.00 0.00 H new ATOM 0 HG LEU A 39 1.007 -8.098 -9.662 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.323 -9.984 -11.093 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.956 -9.533 -9.940 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.085 -9.047 -11.648 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.882 -8.280 -11.959 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.535 -7.277 -12.547 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.742 -6.584 -11.438 1.00 0.00 H new ATOM 556 N ILE A 40 -1.200 -3.441 -9.739 1.00 0.00 N ATOM 557 CA ILE A 40 -2.214 -2.439 -9.436 1.00 0.00 C ATOM 558 C ILE A 40 -2.903 -1.952 -10.706 1.00 0.00 C ATOM 559 O ILE A 40 -2.407 -2.160 -11.814 1.00 0.00 O ATOM 560 CB ILE A 40 -1.608 -1.231 -8.698 1.00 0.00 C ATOM 561 CG1 ILE A 40 -0.591 -0.518 -9.592 1.00 0.00 C ATOM 562 CG2 ILE A 40 -0.958 -1.676 -7.397 1.00 0.00 C ATOM 563 CD1 ILE A 40 -0.474 0.964 -9.312 1.00 0.00 C ATOM 0 H ILE A 40 -0.554 -3.176 -10.482 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.948 -2.919 -8.789 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.408 -0.531 -8.460 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.386 -0.983 -9.459 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.873 -0.661 -10.635 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.534 -0.811 -6.887 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -1.707 -2.143 -6.757 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.166 -2.394 -7.613 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.264 1.404 -9.982 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.440 1.442 -9.473 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.162 1.116 -8.279 1.00 0.00 H new ATOM 575 N CYS A 41 -4.049 -1.300 -10.538 1.00 0.00 N ATOM 576 CA CYS A 41 -4.807 -0.781 -11.670 1.00 0.00 C ATOM 577 C CYS A 41 -4.645 0.732 -11.785 1.00 0.00 C ATOM 578 O CYS A 41 -3.855 1.339 -11.062 1.00 0.00 O ATOM 579 CB CYS A 41 -6.288 -1.136 -11.525 1.00 0.00 C ATOM 580 SG CYS A 41 -7.206 -0.048 -10.388 1.00 0.00 S ATOM 0 H CYS A 41 -4.473 -1.119 -9.628 1.00 0.00 H new ATOM 0 HA CYS A 41 -4.417 -1.241 -12.578 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -6.758 -1.096 -12.508 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -6.371 -2.164 -11.173 1.00 0.00 H new ATOM 585 N ALA A 42 -5.398 1.335 -12.699 1.00 0.00 N ATOM 586 CA ALA A 42 -5.340 2.776 -12.908 1.00 0.00 C ATOM 587 C ALA A 42 -5.843 3.529 -11.682 1.00 0.00 C ATOM 588 O ALA A 42 -5.130 4.356 -11.112 1.00 0.00 O ATOM 589 CB ALA A 42 -6.148 3.164 -14.137 1.00 0.00 C ATOM 0 H ALA A 42 -6.056 0.847 -13.307 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.298 3.053 -13.070 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.096 4.243 -14.281 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.741 2.661 -15.014 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.187 2.866 -13.998 1.00 0.00 H new ATOM 595 N LEU A 43 -7.076 3.239 -11.280 1.00 0.00 N ATOM 596 CA LEU A 43 -7.676 3.889 -10.120 1.00 0.00 C ATOM 597 C LEU A 43 -6.681 3.972 -8.967 1.00 0.00 C ATOM 598 O LEU A 43 -6.654 4.955 -8.226 1.00 0.00 O ATOM 599 CB LEU A 43 -8.927 3.130 -9.675 1.00 0.00 C ATOM 600 CG LEU A 43 -10.235 3.535 -10.357 1.00 0.00 C ATOM 601 CD1 LEU A 43 -11.333 2.530 -10.043 1.00 0.00 C ATOM 602 CD2 LEU A 43 -10.651 4.934 -9.926 1.00 0.00 C ATOM 0 H LEU A 43 -7.680 2.558 -11.740 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.957 4.902 -10.407 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -8.764 2.066 -9.849 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.045 3.263 -8.600 1.00 0.00 H new ATOM 0 HG LEU A 43 -10.074 3.542 -11.435 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -12.256 2.834 -10.536 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -11.037 1.544 -10.402 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.493 2.491 -8.966 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -11.583 5.205 -10.421 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.795 4.954 -8.846 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -9.873 5.646 -10.202 1.00 0.00 H new ATOM 614 N CYS A 44 -5.863 2.935 -8.822 1.00 0.00 N ATOM 615 CA CYS A 44 -4.864 2.890 -7.761 1.00 0.00 C ATOM 616 C CYS A 44 -3.932 4.096 -7.840 1.00 0.00 C ATOM 617 O CYS A 44 -3.771 4.835 -6.869 1.00 0.00 O ATOM 618 CB CYS A 44 -4.052 1.597 -7.851 1.00 0.00 C ATOM 619 SG CYS A 44 -4.926 0.126 -7.226 1.00 0.00 S ATOM 0 H CYS A 44 -5.872 2.114 -9.427 1.00 0.00 H new ATOM 0 HA CYS A 44 -5.385 2.918 -6.804 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -3.774 1.427 -8.891 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -3.126 1.722 -7.290 1.00 0.00 H new ATOM 624 N LYS A 45 -3.320 4.288 -9.004 1.00 0.00 N ATOM 625 CA LYS A 45 -2.405 5.404 -9.213 1.00 0.00 C ATOM 626 C LYS A 45 -3.167 6.721 -9.311 1.00 0.00 C ATOM 627 O LYS A 45 -2.707 7.755 -8.823 1.00 0.00 O ATOM 628 CB LYS A 45 -1.580 5.183 -10.483 1.00 0.00 C ATOM 629 CG LYS A 45 -0.259 4.475 -10.235 1.00 0.00 C ATOM 630 CD LYS A 45 0.845 5.459 -9.890 1.00 0.00 C ATOM 631 CE LYS A 45 1.299 6.238 -11.115 1.00 0.00 C ATOM 632 NZ LYS A 45 1.771 7.605 -10.760 1.00 0.00 N ATOM 0 H LYS A 45 -3.441 3.685 -9.817 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.734 5.456 -8.356 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.168 4.599 -11.191 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -1.383 6.148 -10.951 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.376 3.759 -9.422 1.00 0.00 H new ATOM 0 HG3 LYS A 45 0.023 3.907 -11.122 1.00 0.00 H new ATOM 0 HD2 LYS A 45 0.491 6.152 -9.127 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.693 4.922 -9.464 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.102 5.695 -11.614 1.00 0.00 H new ATOM 0 HE3 LYS A 45 0.475 6.311 -11.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 1.781 8.201 -11.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 1.131 8.021 -10.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.732 7.549 -10.366 1.00 0.00 H new ATOM 646 N LEU A 46 -4.334 6.679 -9.944 1.00 0.00 N ATOM 647 CA LEU A 46 -5.161 7.869 -10.106 1.00 0.00 C ATOM 648 C LEU A 46 -5.405 8.549 -8.762 1.00 0.00 C ATOM 649 O LEU A 46 -5.004 9.694 -8.552 1.00 0.00 O ATOM 650 CB LEU A 46 -6.497 7.502 -10.755 1.00 0.00 C ATOM 651 CG LEU A 46 -6.538 7.555 -12.282 1.00 0.00 C ATOM 652 CD1 LEU A 46 -5.889 8.834 -12.790 1.00 0.00 C ATOM 653 CD2 LEU A 46 -5.850 6.334 -12.877 1.00 0.00 C ATOM 0 H LEU A 46 -4.729 5.833 -10.354 1.00 0.00 H new ATOM 0 HA LEU A 46 -4.629 8.566 -10.754 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.767 6.494 -10.439 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.263 8.174 -10.367 1.00 0.00 H new ATOM 0 HG LEU A 46 -7.581 7.550 -12.598 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.928 8.854 -13.879 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.424 9.696 -12.392 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.850 8.869 -12.463 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.889 6.389 -13.965 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.810 6.308 -12.552 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.358 5.430 -12.541 1.00 0.00 H new ATOM 665 N VAL A 47 -6.064 7.835 -7.855 1.00 0.00 N ATOM 666 CA VAL A 47 -6.359 8.368 -6.530 1.00 0.00 C ATOM 667 C VAL A 47 -5.891 7.413 -5.437 1.00 0.00 C ATOM 668 O VAL A 47 -5.552 7.835 -4.333 1.00 0.00 O ATOM 669 CB VAL A 47 -7.866 8.633 -6.354 1.00 0.00 C ATOM 670 CG1 VAL A 47 -8.337 9.702 -7.328 1.00 0.00 C ATOM 671 CG2 VAL A 47 -8.657 7.347 -6.537 1.00 0.00 C ATOM 0 H VAL A 47 -6.404 6.886 -8.013 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.819 9.311 -6.441 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.038 8.997 -5.341 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.404 9.876 -7.189 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -7.791 10.628 -7.144 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.154 9.370 -8.350 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -9.720 7.552 -6.409 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -8.482 6.951 -7.537 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.337 6.615 -5.796 1.00 0.00 H new ATOM 681 N GLY A 48 -5.875 6.121 -5.754 1.00 0.00 N ATOM 682 CA GLY A 48 -5.447 5.126 -4.789 1.00 0.00 C ATOM 683 C GLY A 48 -4.207 5.552 -4.028 1.00 0.00 C ATOM 684 O GLY A 48 -3.546 6.521 -4.399 1.00 0.00 O ATOM 0 H GLY A 48 -6.151 5.747 -6.662 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.256 4.937 -4.083 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.248 4.186 -5.304 1.00 0.00 H new ATOM 688 N ARG A 49 -3.893 4.827 -2.960 1.00 0.00 N ATOM 689 CA ARG A 49 -2.726 5.137 -2.143 1.00 0.00 C ATOM 690 C ARG A 49 -1.483 5.308 -3.012 1.00 0.00 C ATOM 691 O ARG A 49 -0.486 5.887 -2.581 1.00 0.00 O ATOM 692 CB ARG A 49 -2.490 4.032 -1.111 1.00 0.00 C ATOM 693 CG ARG A 49 -3.568 3.958 -0.042 1.00 0.00 C ATOM 694 CD ARG A 49 -3.627 5.236 0.779 1.00 0.00 C ATOM 695 NE ARG A 49 -4.110 4.993 2.136 1.00 0.00 N ATOM 696 CZ ARG A 49 -3.363 4.462 3.098 1.00 0.00 C ATOM 697 NH1 ARG A 49 -2.106 4.121 2.854 1.00 0.00 N ATOM 698 NH2 ARG A 49 -3.874 4.273 4.308 1.00 0.00 N ATOM 0 H ARG A 49 -4.430 4.021 -2.640 1.00 0.00 H new ATOM 0 HA ARG A 49 -2.918 6.076 -1.623 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.433 3.072 -1.625 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -1.525 4.194 -0.631 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -4.536 3.781 -0.511 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.373 3.111 0.615 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.635 5.685 0.822 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -4.281 5.955 0.285 1.00 0.00 H new ATOM 0 HE ARG A 49 -5.073 5.245 2.357 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.709 4.266 1.926 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -1.535 3.714 3.595 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -4.841 4.535 4.500 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -3.300 3.865 5.046 1.00 0.00 H new ATOM 712 N HIS A 50 -1.551 4.801 -4.239 1.00 0.00 N ATOM 713 CA HIS A 50 -0.432 4.898 -5.170 1.00 0.00 C ATOM 714 C HIS A 50 -0.414 6.260 -5.857 1.00 0.00 C ATOM 715 O HIS A 50 -0.134 6.359 -7.052 1.00 0.00 O ATOM 716 CB HIS A 50 -0.514 3.786 -6.216 1.00 0.00 C ATOM 717 CG HIS A 50 -0.625 2.414 -5.625 1.00 0.00 C ATOM 718 ND1 HIS A 50 0.443 1.547 -5.530 1.00 0.00 N ATOM 719 CD2 HIS A 50 -1.686 1.762 -5.095 1.00 0.00 C ATOM 720 CE1 HIS A 50 0.043 0.420 -4.969 1.00 0.00 C ATOM 721 NE2 HIS A 50 -1.244 0.525 -4.695 1.00 0.00 N ATOM 0 H HIS A 50 -2.369 4.319 -4.612 1.00 0.00 H new ATOM 0 HA HIS A 50 0.492 4.785 -4.603 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -1.375 3.966 -6.859 1.00 0.00 H new ATOM 0 HB3 HIS A 50 0.372 3.829 -6.850 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -2.692 2.143 -5.004 1.00 0.00 H new ATOM 0 HE1 HIS A 50 0.663 -0.441 -4.769 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -1.817 -0.196 -4.257 1.00 0.00 H new ATOM 729 N ARG A 51 -0.716 7.306 -5.096 1.00 0.00 N ATOM 730 CA ARG A 51 -0.736 8.661 -5.633 1.00 0.00 C ATOM 731 C ARG A 51 0.662 9.098 -6.060 1.00 0.00 C ATOM 732 O ARG A 51 1.513 9.397 -5.222 1.00 0.00 O ATOM 733 CB ARG A 51 -1.291 9.636 -4.593 1.00 0.00 C ATOM 734 CG ARG A 51 -2.803 9.784 -4.642 1.00 0.00 C ATOM 735 CD ARG A 51 -3.225 10.864 -5.626 1.00 0.00 C ATOM 736 NE ARG A 51 -4.497 11.477 -5.254 1.00 0.00 N ATOM 737 CZ ARG A 51 -4.634 12.334 -4.248 1.00 0.00 C ATOM 738 NH1 ARG A 51 -3.581 12.678 -3.518 1.00 0.00 N ATOM 739 NH2 ARG A 51 -5.824 12.850 -3.970 1.00 0.00 N ATOM 0 H ARG A 51 -0.950 7.241 -4.105 1.00 0.00 H new ATOM 0 HA ARG A 51 -1.383 8.668 -6.510 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -1.000 9.298 -3.599 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -0.834 10.614 -4.744 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.254 8.834 -4.928 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.178 10.029 -3.648 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -2.453 11.632 -5.674 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -3.309 10.433 -6.624 1.00 0.00 H new ATOM 0 HE ARG A 51 -5.326 11.234 -5.796 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -2.664 12.284 -3.729 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -3.689 13.336 -2.746 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -6.636 12.589 -4.529 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -5.927 13.508 -3.197 1.00 0.00 H new ATOM 753 N ASP A 52 0.892 9.132 -7.368 1.00 0.00 N ATOM 754 CA ASP A 52 2.186 9.532 -7.906 1.00 0.00 C ATOM 755 C ASP A 52 3.248 8.477 -7.611 1.00 0.00 C ATOM 756 O ASP A 52 4.366 8.801 -7.210 1.00 0.00 O ATOM 757 CB ASP A 52 2.612 10.880 -7.321 1.00 0.00 C ATOM 758 CG ASP A 52 3.792 11.483 -8.055 1.00 0.00 C ATOM 759 OD1 ASP A 52 4.942 11.125 -7.725 1.00 0.00 O ATOM 760 OD2 ASP A 52 3.567 12.315 -8.960 1.00 0.00 O ATOM 0 H ASP A 52 0.199 8.887 -8.075 1.00 0.00 H new ATOM 0 HA ASP A 52 2.087 9.629 -8.987 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.771 11.572 -7.361 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.869 10.751 -6.270 1.00 0.00 H new ATOM 765 N HIS A 53 2.889 7.213 -7.811 1.00 0.00 N ATOM 766 CA HIS A 53 3.811 6.109 -7.566 1.00 0.00 C ATOM 767 C HIS A 53 4.581 5.752 -8.834 1.00 0.00 C ATOM 768 O HIS A 53 4.311 6.292 -9.907 1.00 0.00 O ATOM 769 CB HIS A 53 3.050 4.885 -7.056 1.00 0.00 C ATOM 770 CG HIS A 53 2.924 4.837 -5.564 1.00 0.00 C ATOM 771 ND1 HIS A 53 2.583 3.693 -4.874 1.00 0.00 N ATOM 772 CD2 HIS A 53 3.097 5.801 -4.630 1.00 0.00 C ATOM 773 CE1 HIS A 53 2.550 3.956 -3.580 1.00 0.00 C ATOM 774 NE2 HIS A 53 2.859 5.228 -3.405 1.00 0.00 N ATOM 0 H HIS A 53 1.967 6.928 -8.142 1.00 0.00 H new ATOM 0 HA HIS A 53 4.525 6.426 -6.806 1.00 0.00 H new ATOM 0 HB2 HIS A 53 2.053 4.877 -7.497 1.00 0.00 H new ATOM 0 HB3 HIS A 53 3.557 3.983 -7.399 1.00 0.00 H new ATOM 0 HD2 HIS A 53 3.371 6.829 -4.814 1.00 0.00 H new ATOM 0 HE1 HIS A 53 2.311 3.251 -2.798 1.00 0.00 H new ATOM 0 HE2 HIS A 53 2.912 5.707 -2.506 1.00 0.00 H new ATOM 782 N GLN A 54 5.539 4.841 -8.702 1.00 0.00 N ATOM 783 CA GLN A 54 6.349 4.414 -9.837 1.00 0.00 C ATOM 784 C GLN A 54 5.863 3.073 -10.378 1.00 0.00 C ATOM 785 O GLN A 54 6.262 2.015 -9.891 1.00 0.00 O ATOM 786 CB GLN A 54 7.820 4.312 -9.432 1.00 0.00 C ATOM 787 CG GLN A 54 8.786 4.569 -10.577 1.00 0.00 C ATOM 788 CD GLN A 54 10.219 4.226 -10.221 1.00 0.00 C ATOM 789 OE1 GLN A 54 10.674 3.103 -10.441 1.00 0.00 O ATOM 790 NE2 GLN A 54 10.939 5.194 -9.667 1.00 0.00 N ATOM 0 H GLN A 54 5.774 4.384 -7.821 1.00 0.00 H new ATOM 0 HA GLN A 54 6.248 5.161 -10.625 1.00 0.00 H new ATOM 0 HB2 GLN A 54 8.019 5.026 -8.633 1.00 0.00 H new ATOM 0 HB3 GLN A 54 8.008 3.318 -9.025 1.00 0.00 H new ATOM 0 HG2 GLN A 54 8.481 3.982 -11.443 1.00 0.00 H new ATOM 0 HG3 GLN A 54 8.729 5.618 -10.867 1.00 0.00 H new ATOM 0 HE21 GLN A 54 10.521 6.110 -9.503 1.00 0.00 H new ATOM 0 HE22 GLN A 54 11.910 5.022 -9.406 1.00 0.00 H new ATOM 799 N VAL A 55 4.999 3.125 -11.387 1.00 0.00 N ATOM 800 CA VAL A 55 4.460 1.914 -11.994 1.00 0.00 C ATOM 801 C VAL A 55 4.901 1.785 -13.448 1.00 0.00 C ATOM 802 O VAL A 55 4.943 2.771 -14.184 1.00 0.00 O ATOM 803 CB VAL A 55 2.921 1.893 -11.932 1.00 0.00 C ATOM 804 CG1 VAL A 55 2.443 2.001 -10.492 1.00 0.00 C ATOM 805 CG2 VAL A 55 2.338 3.012 -12.781 1.00 0.00 C ATOM 0 H VAL A 55 4.658 3.992 -11.801 1.00 0.00 H new ATOM 0 HA VAL A 55 4.851 1.072 -11.423 1.00 0.00 H new ATOM 0 HB VAL A 55 2.572 0.943 -12.335 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.353 1.985 -10.468 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.831 1.161 -9.916 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.801 2.935 -10.059 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.250 2.982 -12.725 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.694 3.973 -12.410 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.652 2.884 -13.817 1.00 0.00 H new ATOM 815 N ALA A 56 5.228 0.563 -13.855 1.00 0.00 N ATOM 816 CA ALA A 56 5.663 0.305 -15.222 1.00 0.00 C ATOM 817 C ALA A 56 4.561 -0.372 -16.030 1.00 0.00 C ATOM 818 O ALA A 56 4.281 -1.556 -15.846 1.00 0.00 O ATOM 819 CB ALA A 56 6.921 -0.551 -15.222 1.00 0.00 C ATOM 0 H ALA A 56 5.200 -0.263 -13.258 1.00 0.00 H new ATOM 0 HA ALA A 56 5.887 1.262 -15.693 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.235 -0.736 -16.249 1.00 0.00 H new ATOM 0 HB2 ALA A 56 7.716 -0.030 -14.688 1.00 0.00 H new ATOM 0 HB3 ALA A 56 6.715 -1.501 -14.729 1.00 0.00 H new ATOM 825 N SER A 57 3.939 0.388 -16.926 1.00 0.00 N ATOM 826 CA SER A 57 2.864 -0.137 -17.759 1.00 0.00 C ATOM 827 C SER A 57 3.223 -1.516 -18.304 1.00 0.00 C ATOM 828 O SER A 57 4.386 -1.798 -18.596 1.00 0.00 O ATOM 829 CB SER A 57 2.573 0.820 -18.917 1.00 0.00 C ATOM 830 OG SER A 57 1.789 1.919 -18.485 1.00 0.00 O ATOM 0 H SER A 57 4.161 1.369 -17.093 1.00 0.00 H new ATOM 0 HA SER A 57 1.972 -0.230 -17.140 1.00 0.00 H new ATOM 0 HB2 SER A 57 3.511 1.182 -19.339 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.051 0.287 -19.711 1.00 0.00 H new ATOM 0 HG SER A 57 1.618 2.517 -19.243 1.00 0.00 H new ATOM 836 N LEU A 58 2.217 -2.373 -18.437 1.00 0.00 N ATOM 837 CA LEU A 58 2.424 -3.724 -18.946 1.00 0.00 C ATOM 838 C LEU A 58 2.322 -3.755 -20.467 1.00 0.00 C ATOM 839 O LEU A 58 1.233 -3.898 -21.023 1.00 0.00 O ATOM 840 CB LEU A 58 1.401 -4.684 -18.335 1.00 0.00 C ATOM 841 CG LEU A 58 1.515 -4.915 -16.828 1.00 0.00 C ATOM 842 CD1 LEU A 58 0.218 -5.487 -16.276 1.00 0.00 C ATOM 843 CD2 LEU A 58 2.683 -5.841 -16.517 1.00 0.00 C ATOM 0 H LEU A 58 1.249 -2.156 -18.199 1.00 0.00 H new ATOM 0 HA LEU A 58 3.427 -4.042 -18.661 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.402 -4.304 -18.550 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.490 -5.647 -18.838 1.00 0.00 H new ATOM 0 HG LEU A 58 1.699 -3.955 -16.346 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.318 -5.645 -15.202 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.597 -4.789 -16.466 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.003 -6.438 -16.764 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.749 -5.994 -15.440 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.528 -6.800 -17.011 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.609 -5.392 -16.877 1.00 0.00 H new ATOM 855 N ASN A 59 3.463 -3.621 -21.135 1.00 0.00 N ATOM 856 CA ASN A 59 3.501 -3.634 -22.593 1.00 0.00 C ATOM 857 C ASN A 59 4.916 -3.903 -23.097 1.00 0.00 C ATOM 858 O ASN A 59 5.885 -3.791 -22.347 1.00 0.00 O ATOM 859 CB ASN A 59 2.994 -2.303 -23.150 1.00 0.00 C ATOM 860 CG ASN A 59 1.762 -1.803 -22.421 1.00 0.00 C ATOM 861 OD1 ASN A 59 1.865 -1.082 -21.428 1.00 0.00 O ATOM 862 ND2 ASN A 59 0.589 -2.185 -22.911 1.00 0.00 N ATOM 0 H ASN A 59 4.373 -3.502 -20.690 1.00 0.00 H new ATOM 0 HA ASN A 59 2.851 -4.436 -22.941 1.00 0.00 H new ATOM 0 HB2 ASN A 59 3.785 -1.556 -23.076 1.00 0.00 H new ATOM 0 HB3 ASN A 59 2.764 -2.419 -24.209 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -0.275 -1.880 -22.462 1.00 0.00 H new ATOM 0 HD22 ASN A 59 0.551 -2.783 -23.736 1.00 0.00 H new ATOM 869 N ASP A 60 5.026 -4.259 -24.373 1.00 0.00 N ATOM 870 CA ASP A 60 6.322 -4.542 -24.979 1.00 0.00 C ATOM 871 C ASP A 60 6.933 -3.277 -25.572 1.00 0.00 C ATOM 872 O ASP A 60 6.311 -2.214 -25.567 1.00 0.00 O ATOM 873 CB ASP A 60 6.179 -5.612 -26.063 1.00 0.00 C ATOM 874 CG ASP A 60 5.854 -6.977 -25.490 1.00 0.00 C ATOM 875 OD1 ASP A 60 5.354 -7.037 -24.348 1.00 0.00 O ATOM 876 OD2 ASP A 60 6.101 -7.986 -26.184 1.00 0.00 O ATOM 0 H ASP A 60 4.233 -4.358 -25.007 1.00 0.00 H new ATOM 0 HA ASP A 60 6.987 -4.913 -24.199 1.00 0.00 H new ATOM 0 HB2 ASP A 60 5.394 -5.317 -26.759 1.00 0.00 H new ATOM 0 HB3 ASP A 60 7.105 -5.672 -26.634 1.00 0.00 H new ATOM 881 N ARG A 61 8.154 -3.398 -26.082 1.00 0.00 N ATOM 882 CA ARG A 61 8.850 -2.264 -26.677 1.00 0.00 C ATOM 883 C ARG A 61 7.872 -1.350 -27.409 1.00 0.00 C ATOM 884 O ARG A 61 7.730 -0.175 -27.069 1.00 0.00 O ATOM 885 CB ARG A 61 9.931 -2.751 -27.643 1.00 0.00 C ATOM 886 CG ARG A 61 10.948 -3.680 -27.000 1.00 0.00 C ATOM 887 CD ARG A 61 12.217 -3.779 -27.833 1.00 0.00 C ATOM 888 NE ARG A 61 12.953 -5.011 -27.565 1.00 0.00 N ATOM 889 CZ ARG A 61 14.241 -5.175 -27.849 1.00 0.00 C ATOM 890 NH1 ARG A 61 14.930 -4.189 -28.407 1.00 0.00 N ATOM 891 NH2 ARG A 61 14.841 -6.326 -27.575 1.00 0.00 N ATOM 0 H ARG A 61 8.682 -4.271 -26.095 1.00 0.00 H new ATOM 0 HA ARG A 61 9.320 -1.696 -25.874 1.00 0.00 H new ATOM 0 HB2 ARG A 61 9.455 -3.268 -28.477 1.00 0.00 H new ATOM 0 HB3 ARG A 61 10.451 -1.888 -28.058 1.00 0.00 H new ATOM 0 HG2 ARG A 61 11.194 -3.317 -26.002 1.00 0.00 H new ATOM 0 HG3 ARG A 61 10.512 -4.672 -26.880 1.00 0.00 H new ATOM 0 HD2 ARG A 61 11.960 -3.733 -28.891 1.00 0.00 H new ATOM 0 HD3 ARG A 61 12.856 -2.922 -27.623 1.00 0.00 H new ATOM 0 HE ARG A 61 12.451 -5.789 -27.136 1.00 0.00 H new ATOM 0 HH11 ARG A 61 14.472 -3.303 -28.619 1.00 0.00 H new ATOM 0 HH12 ARG A 61 15.918 -4.317 -28.624 1.00 0.00 H new ATOM 0 HH21 ARG A 61 14.314 -7.086 -27.146 1.00 0.00 H new ATOM 0 HH22 ARG A 61 15.830 -6.451 -27.793 1.00 0.00 H new ATOM 905 N PHE A 62 7.201 -1.897 -28.417 1.00 0.00 N ATOM 906 CA PHE A 62 6.238 -1.131 -29.200 1.00 0.00 C ATOM 907 C PHE A 62 4.848 -1.754 -29.113 1.00 0.00 C ATOM 908 O PHE A 62 4.666 -2.933 -29.416 1.00 0.00 O ATOM 909 CB PHE A 62 6.684 -1.052 -30.661 1.00 0.00 C ATOM 910 CG PHE A 62 7.170 -2.362 -31.211 1.00 0.00 C ATOM 911 CD1 PHE A 62 6.272 -3.320 -31.653 1.00 0.00 C ATOM 912 CD2 PHE A 62 8.526 -2.636 -31.286 1.00 0.00 C ATOM 913 CE1 PHE A 62 6.717 -4.526 -32.159 1.00 0.00 C ATOM 914 CE2 PHE A 62 8.978 -3.841 -31.791 1.00 0.00 C ATOM 915 CZ PHE A 62 8.072 -4.787 -32.229 1.00 0.00 C ATOM 0 H PHE A 62 7.306 -2.868 -28.711 1.00 0.00 H new ATOM 0 HA PHE A 62 6.191 -0.123 -28.787 1.00 0.00 H new ATOM 0 HB2 PHE A 62 5.851 -0.699 -31.268 1.00 0.00 H new ATOM 0 HB3 PHE A 62 7.479 -0.312 -30.750 1.00 0.00 H new ATOM 0 HD1 PHE A 62 5.212 -3.122 -31.601 1.00 0.00 H new ATOM 0 HD2 PHE A 62 9.239 -1.899 -30.946 1.00 0.00 H new ATOM 0 HE1 PHE A 62 6.006 -5.264 -32.500 1.00 0.00 H new ATOM 0 HE2 PHE A 62 10.038 -4.042 -31.843 1.00 0.00 H new ATOM 0 HZ PHE A 62 8.422 -5.729 -32.625 1.00 0.00 H new ATOM 925 N GLU A 63 3.872 -0.954 -28.696 1.00 0.00 N ATOM 926 CA GLU A 63 2.499 -1.428 -28.567 1.00 0.00 C ATOM 927 C GLU A 63 1.597 -0.769 -29.607 1.00 0.00 C ATOM 928 O GLU A 63 0.807 0.120 -29.288 1.00 0.00 O ATOM 929 CB GLU A 63 1.967 -1.144 -27.161 1.00 0.00 C ATOM 930 CG GLU A 63 2.343 0.231 -26.635 1.00 0.00 C ATOM 931 CD GLU A 63 1.945 0.429 -25.185 1.00 0.00 C ATOM 932 OE1 GLU A 63 0.747 0.668 -24.926 1.00 0.00 O ATOM 933 OE2 GLU A 63 2.832 0.346 -24.309 1.00 0.00 O ATOM 0 H GLU A 63 4.006 0.025 -28.442 1.00 0.00 H new ATOM 0 HA GLU A 63 2.496 -2.505 -28.737 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.881 -1.237 -27.167 1.00 0.00 H new ATOM 0 HB3 GLU A 63 2.348 -1.902 -26.477 1.00 0.00 H new ATOM 0 HG2 GLU A 63 3.419 0.373 -26.735 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.863 0.994 -27.247 1.00 0.00 H new ATOM 940 N LYS A 64 1.720 -1.212 -30.854 1.00 0.00 N ATOM 941 CA LYS A 64 0.916 -0.668 -31.942 1.00 0.00 C ATOM 942 C LYS A 64 0.651 0.819 -31.732 1.00 0.00 C ATOM 943 O LYS A 64 -0.492 1.272 -31.800 1.00 0.00 O ATOM 944 CB LYS A 64 -0.411 -1.423 -32.051 1.00 0.00 C ATOM 945 CG LYS A 64 -1.281 -1.304 -30.812 1.00 0.00 C ATOM 946 CD LYS A 64 -1.010 -2.432 -29.830 1.00 0.00 C ATOM 947 CE LYS A 64 -1.644 -3.736 -30.290 1.00 0.00 C ATOM 948 NZ LYS A 64 -3.132 -3.670 -30.260 1.00 0.00 N ATOM 0 H LYS A 64 2.369 -1.947 -31.136 1.00 0.00 H new ATOM 0 HA LYS A 64 1.475 -0.792 -32.870 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.964 -1.046 -32.911 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -0.206 -2.477 -32.241 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -1.096 -0.346 -30.327 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -2.332 -1.317 -31.101 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.066 -2.569 -29.719 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -1.400 -2.163 -28.848 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.311 -3.965 -31.302 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -1.304 -4.551 -29.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -3.522 -4.634 -30.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -3.440 -3.158 -29.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -3.475 -3.172 -31.106 1.00 0.00 H new ATOM 962 N LEU A 65 1.714 1.575 -31.479 1.00 0.00 N ATOM 963 CA LEU A 65 1.597 3.012 -31.260 1.00 0.00 C ATOM 964 C LEU A 65 1.465 3.755 -32.586 1.00 0.00 C ATOM 965 O LEU A 65 1.493 4.986 -32.626 1.00 0.00 O ATOM 966 CB LEU A 65 2.812 3.532 -30.490 1.00 0.00 C ATOM 967 CG LEU A 65 4.051 3.850 -31.327 1.00 0.00 C ATOM 968 CD1 LEU A 65 4.805 5.031 -30.737 1.00 0.00 C ATOM 969 CD2 LEU A 65 4.957 2.631 -31.422 1.00 0.00 C ATOM 0 H LEU A 65 2.667 1.216 -31.421 1.00 0.00 H new ATOM 0 HA LEU A 65 0.698 3.193 -30.671 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.518 4.435 -29.954 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.086 2.791 -29.739 1.00 0.00 H new ATOM 0 HG LEU A 65 3.728 4.118 -32.333 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.684 5.243 -31.346 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.155 5.906 -30.721 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.117 4.792 -29.720 1.00 0.00 H new ATOM 0 HD21 LEU A 65 5.834 2.875 -32.021 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.272 2.333 -30.422 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.414 1.810 -31.891 1.00 0.00 H new ATOM 981 N LYS A 66 1.318 3.000 -33.669 1.00 0.00 N ATOM 982 CA LYS A 66 1.178 3.586 -34.997 1.00 0.00 C ATOM 983 C LYS A 66 -0.080 4.446 -35.083 1.00 0.00 C ATOM 984 O LYS A 66 -1.132 3.980 -35.519 1.00 0.00 O ATOM 985 CB LYS A 66 1.129 2.486 -36.060 1.00 0.00 C ATOM 986 CG LYS A 66 1.509 2.965 -37.450 1.00 0.00 C ATOM 987 CD LYS A 66 0.309 3.527 -38.193 1.00 0.00 C ATOM 988 CE LYS A 66 0.615 3.737 -39.668 1.00 0.00 C ATOM 989 NZ LYS A 66 0.603 2.455 -40.425 1.00 0.00 N ATOM 0 H LYS A 66 1.293 1.980 -33.653 1.00 0.00 H new ATOM 0 HA LYS A 66 2.045 4.221 -35.179 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.801 1.679 -35.767 1.00 0.00 H new ATOM 0 HB3 LYS A 66 0.123 2.068 -36.092 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.282 3.730 -37.374 1.00 0.00 H new ATOM 0 HG3 LYS A 66 1.935 2.137 -38.017 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -0.536 2.846 -38.089 1.00 0.00 H new ATOM 0 HD3 LYS A 66 0.012 4.475 -37.743 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -0.119 4.419 -40.098 1.00 0.00 H new ATOM 0 HE3 LYS A 66 1.591 4.211 -39.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 0.766 2.646 -41.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.354 1.832 -40.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -0.319 1.990 -40.305 1.00 0.00 H new ATOM 1003 N GLN A 67 0.039 5.702 -34.665 1.00 0.00 N ATOM 1004 CA GLN A 67 -1.089 6.626 -34.695 1.00 0.00 C ATOM 1005 C GLN A 67 -1.119 7.405 -36.006 1.00 0.00 C ATOM 1006 O GLN A 67 -0.168 7.364 -36.787 1.00 0.00 O ATOM 1007 CB GLN A 67 -1.014 7.595 -33.514 1.00 0.00 C ATOM 1008 CG GLN A 67 -1.211 6.925 -32.164 1.00 0.00 C ATOM 1009 CD GLN A 67 -0.984 7.873 -31.003 1.00 0.00 C ATOM 1010 OE1 GLN A 67 -1.525 8.979 -30.975 1.00 0.00 O ATOM 1011 NE2 GLN A 67 -0.180 7.444 -30.037 1.00 0.00 N ATOM 0 H GLN A 67 0.904 6.103 -34.302 1.00 0.00 H new ATOM 0 HA GLN A 67 -2.006 6.042 -34.619 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -0.045 8.094 -33.525 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.772 8.368 -33.641 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.222 6.522 -32.107 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -0.526 6.081 -32.078 1.00 0.00 H new ATOM 0 HE21 GLN A 67 0.247 6.520 -30.102 1.00 0.00 H new ATOM 0 HE22 GLN A 67 0.011 8.039 -29.230 1.00 0.00 H new ATOM 1020 N THR A 68 -2.218 8.114 -36.242 1.00 0.00 N ATOM 1021 CA THR A 68 -2.373 8.901 -37.459 1.00 0.00 C ATOM 1022 C THR A 68 -2.849 10.315 -37.143 1.00 0.00 C ATOM 1023 O THR A 68 -3.889 10.504 -36.511 1.00 0.00 O ATOM 1024 CB THR A 68 -3.370 8.242 -38.431 1.00 0.00 C ATOM 1025 OG1 THR A 68 -4.588 7.929 -37.746 1.00 0.00 O ATOM 1026 CG2 THR A 68 -2.781 6.976 -39.034 1.00 0.00 C ATOM 0 H THR A 68 -3.014 8.159 -35.606 1.00 0.00 H new ATOM 0 HA THR A 68 -1.392 8.948 -37.932 1.00 0.00 H new ATOM 0 HB THR A 68 -3.578 8.946 -39.237 1.00 0.00 H new ATOM 0 HG1 THR A 68 -4.754 8.600 -37.051 1.00 0.00 H new ATOM 0 HG21 THR A 68 -3.503 6.528 -39.717 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.870 7.223 -39.579 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.547 6.269 -38.238 1.00 0.00 H new ATOM 1034 N LEU A 69 -2.082 11.305 -37.586 1.00 0.00 N ATOM 1035 CA LEU A 69 -2.425 12.703 -37.351 1.00 0.00 C ATOM 1036 C LEU A 69 -3.843 13.003 -37.827 1.00 0.00 C ATOM 1037 O LEU A 69 -4.510 12.142 -38.400 1.00 0.00 O ATOM 1038 CB LEU A 69 -1.431 13.620 -38.065 1.00 0.00 C ATOM 1039 CG LEU A 69 -1.155 13.296 -39.534 1.00 0.00 C ATOM 1040 CD1 LEU A 69 -2.147 14.016 -40.435 1.00 0.00 C ATOM 1041 CD2 LEU A 69 0.273 13.671 -39.904 1.00 0.00 C ATOM 0 H LEU A 69 -1.218 11.165 -38.110 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.374 12.888 -36.278 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.802 14.643 -38.003 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.486 13.590 -37.523 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.277 12.222 -39.678 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.935 13.774 -41.476 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.160 13.699 -40.187 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.058 15.092 -40.288 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.451 13.433 -40.953 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.422 14.739 -39.743 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.970 13.110 -39.281 1.00 0.00 H new ATOM 1053 N GLU A 70 -4.295 14.229 -37.587 1.00 0.00 N ATOM 1054 CA GLU A 70 -5.633 14.642 -37.992 1.00 0.00 C ATOM 1055 C GLU A 70 -5.726 14.772 -39.510 1.00 0.00 C ATOM 1056 O GLU A 70 -6.320 13.927 -40.180 1.00 0.00 O ATOM 1057 CB GLU A 70 -6.002 15.973 -37.333 1.00 0.00 C ATOM 1058 CG GLU A 70 -6.520 15.825 -35.912 1.00 0.00 C ATOM 1059 CD GLU A 70 -6.688 17.159 -35.210 1.00 0.00 C ATOM 1060 OE1 GLU A 70 -7.529 17.964 -35.663 1.00 0.00 O ATOM 1061 OE2 GLU A 70 -5.980 17.398 -34.210 1.00 0.00 O ATOM 0 H GLU A 70 -3.755 14.954 -37.114 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.336 13.876 -37.666 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -5.125 16.621 -37.326 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.761 16.470 -37.937 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.478 15.305 -35.931 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -5.831 15.203 -35.341 1.00 0.00 H new ATOM 1068 N MET A 71 -5.135 15.835 -40.045 1.00 0.00 N ATOM 1069 CA MET A 71 -5.151 16.075 -41.483 1.00 0.00 C ATOM 1070 C MET A 71 -3.742 16.337 -42.006 1.00 0.00 C ATOM 1071 O MET A 71 -2.895 16.874 -41.293 1.00 0.00 O ATOM 1072 CB MET A 71 -6.059 17.261 -41.814 1.00 0.00 C ATOM 1073 CG MET A 71 -5.636 18.557 -41.141 1.00 0.00 C ATOM 1074 SD MET A 71 -6.471 20.000 -41.826 1.00 0.00 S ATOM 1075 CE MET A 71 -7.774 20.241 -40.621 1.00 0.00 C ATOM 0 H MET A 71 -4.639 16.544 -39.504 1.00 0.00 H new ATOM 0 HA MET A 71 -5.541 15.181 -41.971 1.00 0.00 H new ATOM 0 HB2 MET A 71 -6.070 17.409 -42.894 1.00 0.00 H new ATOM 0 HB3 MET A 71 -7.079 17.022 -41.514 1.00 0.00 H new ATOM 0 HG2 MET A 71 -5.847 18.493 -40.073 1.00 0.00 H new ATOM 0 HG3 MET A 71 -4.558 18.682 -41.246 1.00 0.00 H new ATOM 0 HE1 MET A 71 -8.380 21.101 -40.907 1.00 0.00 H new ATOM 0 HE2 MET A 71 -8.403 19.351 -40.582 1.00 0.00 H new ATOM 0 HE3 MET A 71 -7.334 20.417 -39.640 1.00 0.00 H new ATOM 1085 N ASN A 72 -3.498 15.952 -43.255 1.00 0.00 N ATOM 1086 CA ASN A 72 -2.191 16.145 -43.872 1.00 0.00 C ATOM 1087 C ASN A 72 -2.328 16.801 -45.242 1.00 0.00 C ATOM 1088 O ASN A 72 -2.383 16.119 -46.267 1.00 0.00 O ATOM 1089 CB ASN A 72 -1.464 14.805 -44.006 1.00 0.00 C ATOM 1090 CG ASN A 72 -0.071 14.958 -44.584 1.00 0.00 C ATOM 1091 OD1 ASN A 72 0.219 14.463 -45.674 1.00 0.00 O ATOM 1092 ND2 ASN A 72 0.800 15.646 -43.855 1.00 0.00 N ATOM 0 H ASN A 72 -4.188 15.505 -43.859 1.00 0.00 H new ATOM 0 HA ASN A 72 -1.608 16.805 -43.230 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.398 14.331 -43.027 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -2.048 14.140 -44.643 1.00 0.00 H new ATOM 0 HD21 ASN A 72 1.753 15.782 -44.193 1.00 0.00 H new ATOM 0 HD22 ASN A 72 0.516 16.039 -42.957 1.00 0.00 H new ATOM 1099 N LEU A 73 -2.381 18.129 -45.254 1.00 0.00 N ATOM 1100 CA LEU A 73 -2.511 18.878 -46.498 1.00 0.00 C ATOM 1101 C LEU A 73 -1.505 20.023 -46.552 1.00 0.00 C ATOM 1102 O LEU A 73 -1.832 21.134 -46.971 1.00 0.00 O ATOM 1103 CB LEU A 73 -3.932 19.426 -46.641 1.00 0.00 C ATOM 1104 CG LEU A 73 -5.057 18.391 -46.604 1.00 0.00 C ATOM 1105 CD1 LEU A 73 -6.415 19.077 -46.636 1.00 0.00 C ATOM 1106 CD2 LEU A 73 -4.923 17.416 -47.765 1.00 0.00 C ATOM 0 H LEU A 73 -2.336 18.708 -44.416 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.305 18.198 -47.325 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.103 20.148 -45.843 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.997 19.970 -47.583 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.978 17.830 -45.673 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -7.203 18.325 -46.609 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -6.511 19.734 -45.772 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -6.505 19.664 -47.550 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -5.732 16.687 -47.723 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -4.976 17.962 -48.707 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.965 16.900 -47.698 1.00 0.00 H new ATOM 1118 N THR A 74 -0.277 19.745 -46.125 1.00 0.00 N ATOM 1119 CA THR A 74 0.778 20.751 -46.125 1.00 0.00 C ATOM 1120 C THR A 74 1.510 20.780 -47.462 1.00 0.00 C ATOM 1121 O THR A 74 2.607 20.240 -47.592 1.00 0.00 O ATOM 1122 CB THR A 74 1.798 20.495 -45.000 1.00 0.00 C ATOM 1123 OG1 THR A 74 2.391 19.201 -45.161 1.00 0.00 O ATOM 1124 CG2 THR A 74 1.133 20.588 -43.635 1.00 0.00 C ATOM 0 H THR A 74 0.011 18.831 -45.775 1.00 0.00 H new ATOM 0 HA THR A 74 0.296 21.714 -45.957 1.00 0.00 H new ATOM 0 HB THR A 74 2.573 21.259 -45.061 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.658 19.078 -46.096 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.873 20.404 -42.856 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.709 21.584 -43.504 1.00 0.00 H new ATOM 0 HG23 THR A 74 0.340 19.844 -43.565 1.00 0.00 H new ATOM 1132 N ASN A 75 0.895 21.416 -48.455 1.00 0.00 N ATOM 1133 CA ASN A 75 1.489 21.516 -49.783 1.00 0.00 C ATOM 1134 C ASN A 75 2.053 22.913 -50.023 1.00 0.00 C ATOM 1135 O ASN A 75 1.842 23.506 -51.081 1.00 0.00 O ATOM 1136 CB ASN A 75 0.450 21.182 -50.855 1.00 0.00 C ATOM 1137 CG ASN A 75 -0.891 21.837 -50.585 1.00 0.00 C ATOM 1138 OD1 ASN A 75 -1.870 21.162 -50.266 1.00 0.00 O ATOM 1139 ND2 ASN A 75 -0.941 23.158 -50.712 1.00 0.00 N ATOM 0 H ASN A 75 -0.014 21.869 -48.365 1.00 0.00 H new ATOM 0 HA ASN A 75 2.307 20.798 -49.843 1.00 0.00 H new ATOM 0 HB2 ASN A 75 0.820 21.505 -51.828 1.00 0.00 H new ATOM 0 HB3 ASN A 75 0.319 20.101 -50.906 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -1.816 23.654 -50.543 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -0.104 23.677 -50.978 1.00 0.00 H new ATOM 1146 N LEU A 76 2.772 23.433 -49.034 1.00 0.00 N ATOM 1147 CA LEU A 76 3.368 24.760 -49.137 1.00 0.00 C ATOM 1148 C LEU A 76 4.660 24.841 -48.330 1.00 0.00 C ATOM 1149 O LEU A 76 4.635 24.887 -47.100 1.00 0.00 O ATOM 1150 CB LEU A 76 2.381 25.823 -48.649 1.00 0.00 C ATOM 1151 CG LEU A 76 2.668 27.258 -49.091 1.00 0.00 C ATOM 1152 CD1 LEU A 76 1.378 28.060 -49.169 1.00 0.00 C ATOM 1153 CD2 LEU A 76 3.655 27.922 -48.142 1.00 0.00 C ATOM 0 H LEU A 76 2.956 22.956 -48.152 1.00 0.00 H new ATOM 0 HA LEU A 76 3.604 24.945 -50.185 1.00 0.00 H new ATOM 0 HB2 LEU A 76 1.384 25.550 -48.994 1.00 0.00 H new ATOM 0 HB3 LEU A 76 2.359 25.797 -47.560 1.00 0.00 H new ATOM 0 HG LEU A 76 3.115 27.229 -50.085 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.602 29.079 -49.485 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.704 27.596 -49.889 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.902 28.080 -48.188 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.847 28.943 -48.473 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.237 27.939 -47.136 1.00 0.00 H new ATOM 0 HD23 LEU A 76 4.589 27.360 -48.137 1.00 0.00 H new ATOM 1165 N VAL A 77 5.789 24.861 -49.032 1.00 0.00 N ATOM 1166 CA VAL A 77 7.092 24.939 -48.382 1.00 0.00 C ATOM 1167 C VAL A 77 8.032 25.866 -49.145 1.00 0.00 C ATOM 1168 O VAL A 77 8.344 25.628 -50.312 1.00 0.00 O ATOM 1169 CB VAL A 77 7.744 23.549 -48.262 1.00 0.00 C ATOM 1170 CG1 VAL A 77 9.120 23.658 -47.622 1.00 0.00 C ATOM 1171 CG2 VAL A 77 6.851 22.609 -47.467 1.00 0.00 C ATOM 0 H VAL A 77 5.827 24.824 -50.051 1.00 0.00 H new ATOM 0 HA VAL A 77 6.924 25.340 -47.382 1.00 0.00 H new ATOM 0 HB VAL A 77 7.867 23.137 -49.264 1.00 0.00 H new ATOM 0 HG11 VAL A 77 9.565 22.666 -47.545 1.00 0.00 H new ATOM 0 HG12 VAL A 77 9.757 24.295 -48.235 1.00 0.00 H new ATOM 0 HG13 VAL A 77 9.025 24.091 -46.626 1.00 0.00 H new ATOM 0 HG21 VAL A 77 7.327 21.631 -47.392 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.695 23.014 -46.467 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.890 22.507 -47.971 1.00 0.00 H new ATOM 1181 N LYS A 78 8.480 26.924 -48.478 1.00 0.00 N ATOM 1182 CA LYS A 78 9.387 27.887 -49.092 1.00 0.00 C ATOM 1183 C LYS A 78 10.240 28.582 -48.035 1.00 0.00 C ATOM 1184 O LYS A 78 9.913 28.561 -46.848 1.00 0.00 O ATOM 1185 CB LYS A 78 8.596 28.927 -49.889 1.00 0.00 C ATOM 1186 CG LYS A 78 8.302 28.504 -51.318 1.00 0.00 C ATOM 1187 CD LYS A 78 7.963 29.698 -52.194 1.00 0.00 C ATOM 1188 CE LYS A 78 6.488 30.059 -52.098 1.00 0.00 C ATOM 1189 NZ LYS A 78 6.193 30.868 -50.883 1.00 0.00 N ATOM 0 H LYS A 78 8.230 27.137 -47.512 1.00 0.00 H new ATOM 0 HA LYS A 78 10.048 27.345 -49.768 1.00 0.00 H new ATOM 0 HB2 LYS A 78 7.655 29.126 -49.377 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.155 29.863 -49.904 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.167 27.983 -51.730 1.00 0.00 H new ATOM 0 HG3 LYS A 78 7.471 27.798 -51.326 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.568 30.554 -51.895 1.00 0.00 H new ATOM 0 HD3 LYS A 78 8.217 29.474 -53.230 1.00 0.00 H new ATOM 0 HE2 LYS A 78 6.192 30.617 -52.986 1.00 0.00 H new ATOM 0 HE3 LYS A 78 5.891 29.147 -52.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 5.400 31.512 -51.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 5.940 30.235 -50.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 7.033 31.423 -50.623 1.00 0.00 H new ATOM 1203 N SER A 79 11.333 29.197 -48.474 1.00 0.00 N ATOM 1204 CA SER A 79 12.233 29.897 -47.565 1.00 0.00 C ATOM 1205 C SER A 79 12.965 31.025 -48.286 1.00 0.00 C ATOM 1206 O SER A 79 12.815 31.205 -49.493 1.00 0.00 O ATOM 1207 CB SER A 79 13.246 28.919 -46.964 1.00 0.00 C ATOM 1208 OG SER A 79 14.017 28.297 -47.978 1.00 0.00 O ATOM 0 H SER A 79 11.617 29.225 -49.453 1.00 0.00 H new ATOM 0 HA SER A 79 11.635 30.330 -46.763 1.00 0.00 H new ATOM 0 HB2 SER A 79 13.904 29.449 -46.276 1.00 0.00 H new ATOM 0 HB3 SER A 79 12.723 28.160 -46.383 1.00 0.00 H new ATOM 0 HG SER A 79 14.658 27.678 -47.569 1.00 0.00 H new ATOM 1214 N GLY A 80 13.757 31.784 -47.534 1.00 0.00 N ATOM 1215 CA GLY A 80 14.499 32.886 -48.117 1.00 0.00 C ATOM 1216 C GLY A 80 15.313 33.645 -47.088 1.00 0.00 C ATOM 1217 O GLY A 80 14.793 34.481 -46.348 1.00 0.00 O ATOM 0 H GLY A 80 13.898 31.655 -46.532 1.00 0.00 H new ATOM 0 HA2 GLY A 80 15.164 32.503 -48.891 1.00 0.00 H new ATOM 0 HA3 GLY A 80 13.804 33.571 -48.603 1.00 0.00 H new ATOM 1221 N PRO A 81 16.621 33.355 -47.030 1.00 0.00 N ATOM 1222 CA PRO A 81 17.535 34.005 -46.086 1.00 0.00 C ATOM 1223 C PRO A 81 17.776 35.471 -46.430 1.00 0.00 C ATOM 1224 O PRO A 81 17.331 35.956 -47.470 1.00 0.00 O ATOM 1225 CB PRO A 81 18.830 33.202 -46.236 1.00 0.00 C ATOM 1226 CG PRO A 81 18.764 32.630 -47.610 1.00 0.00 C ATOM 1227 CD PRO A 81 17.308 32.370 -47.881 1.00 0.00 C ATOM 0 HA PRO A 81 17.136 34.012 -45.072 1.00 0.00 H new ATOM 0 HB2 PRO A 81 19.707 33.838 -46.114 1.00 0.00 H new ATOM 0 HB3 PRO A 81 18.898 32.417 -45.483 1.00 0.00 H new ATOM 0 HG2 PRO A 81 19.179 33.323 -48.342 1.00 0.00 H new ATOM 0 HG3 PRO A 81 19.344 31.710 -47.678 1.00 0.00 H new ATOM 0 HD2 PRO A 81 17.064 32.510 -48.934 1.00 0.00 H new ATOM 0 HD3 PRO A 81 17.027 31.349 -47.621 1.00 0.00 H new ATOM 1235 N SER A 82 18.483 36.172 -45.549 1.00 0.00 N ATOM 1236 CA SER A 82 18.780 37.585 -45.757 1.00 0.00 C ATOM 1237 C SER A 82 19.821 38.074 -44.755 1.00 0.00 C ATOM 1238 O SER A 82 19.769 37.736 -43.573 1.00 0.00 O ATOM 1239 CB SER A 82 17.504 38.420 -45.633 1.00 0.00 C ATOM 1240 OG SER A 82 17.729 39.759 -46.036 1.00 0.00 O ATOM 0 H SER A 82 18.861 35.785 -44.684 1.00 0.00 H new ATOM 0 HA SER A 82 19.185 37.702 -46.762 1.00 0.00 H new ATOM 0 HB2 SER A 82 16.717 37.980 -46.246 1.00 0.00 H new ATOM 0 HB3 SER A 82 17.153 38.402 -44.601 1.00 0.00 H new ATOM 0 HG SER A 82 16.898 40.271 -45.949 1.00 0.00 H new ATOM 1246 N SER A 83 20.767 38.874 -45.238 1.00 0.00 N ATOM 1247 CA SER A 83 21.824 39.408 -44.387 1.00 0.00 C ATOM 1248 C SER A 83 22.135 40.856 -44.752 1.00 0.00 C ATOM 1249 O SER A 83 21.664 41.367 -45.767 1.00 0.00 O ATOM 1250 CB SER A 83 23.088 38.555 -44.512 1.00 0.00 C ATOM 1251 OG SER A 83 22.905 37.282 -43.917 1.00 0.00 O ATOM 0 H SER A 83 20.823 39.166 -46.214 1.00 0.00 H new ATOM 0 HA SER A 83 21.476 39.379 -43.355 1.00 0.00 H new ATOM 0 HB2 SER A 83 23.347 38.434 -45.564 1.00 0.00 H new ATOM 0 HB3 SER A 83 23.924 39.066 -44.035 1.00 0.00 H new ATOM 0 HG SER A 83 23.726 36.756 -44.012 1.00 0.00 H new ATOM 1257 N GLY A 84 22.934 41.512 -43.916 1.00 0.00 N ATOM 1258 CA GLY A 84 23.296 42.895 -44.167 1.00 0.00 C ATOM 1259 C GLY A 84 24.768 43.163 -43.922 1.00 0.00 C ATOM 1260 O GLY A 84 25.560 42.222 -43.947 1.00 0.00 O ATOM 0 H GLY A 84 23.337 41.110 -43.069 1.00 0.00 H new ATOM 0 HA2 GLY A 84 23.050 43.150 -45.198 1.00 0.00 H new ATOM 0 HA3 GLY A 84 22.700 43.545 -43.527 1.00 0.00 H new TER 1264 GLY A 84 HETATM 1265 ZN ZN A 201 -6.756 -0.600 -8.195 1.00 0.00 ZN HETATM 1266 ZN ZN A 401 2.358 1.677 -5.405 1.00 0.00 ZN