USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 564 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 34 HIS HE2 : A 34 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 39 HIS HE2 : A 39 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 64 HIS HE2 : A 64 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 69 HIS HE2 : A 69 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 50 HIS : no HE2:sc= -2.72 X(o=-2.7,f=-2.4) USER MOD Set 1.2: A 71 TYR OH : rot 130:sc= 0 USER MOD Set 2.1: A 27 GLN : amide:sc= 0 K(o=-0.87,f=-1.7) USER MOD Set 2.2: A 30 THR OG1 : rot -170:sc= -0.866 USER MOD Single : A 1 GLY N :NH3+ -119:sc= 0.0898 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 38:sc= 0.869 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 28:sc= 0.116 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= -0.984 X(o=-0.98,f=-0.76) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HD1:sc= -0.0597 X(o=-0.06,f=-0.027) USER MOD Single : A 26 THR OG1 : rot -39:sc= 1.21 USER MOD Single : A 28 SER OG : rot 180:sc= -0.028 USER MOD Single : A 31 MET CE :methyl 158:sc= -0.906 (180deg=-1.91!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl -112:sc= -0.303 (180deg=-3.64!) USER MOD Single : A 37 GLN : amide:sc= -0.0014 K(o=-0.0014,f=-1.2) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.0116 X(o=-0.012,f=0) USER MOD Single : A 45 LYS NZ :NH3+ -170:sc= -0.213 (180deg=-0.29) USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 128:sc= 1.27 USER MOD Single : A 58 LYS NZ :NH3+ 150:sc= -0.0104 (180deg=-1.07) USER MOD Single : A 59 SER OG : rot 180:sc= -0.0583 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.0958 X(o=-0.096,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 27:sc= 0.481 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.140 -23.162 -18.453 1.00 0.00 N ATOM 2 CA GLY A 1 5.424 -21.949 -18.103 1.00 0.00 C ATOM 3 C GLY A 1 4.286 -22.207 -17.135 1.00 0.00 C ATOM 4 O GLY A 1 4.004 -23.354 -16.788 1.00 0.00 O ATOM 0 H1 GLY A 1 7.133 -23.076 -18.158 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.704 -23.974 -17.971 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.096 -23.306 -19.482 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.119 -21.235 -17.660 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.029 -21.489 -19.009 1.00 0.00 H new ATOM 8 N SER A 2 3.630 -21.137 -16.697 1.00 0.00 N ATOM 9 CA SER A 2 2.519 -21.252 -15.760 1.00 0.00 C ATOM 10 C SER A 2 1.281 -20.539 -16.294 1.00 0.00 C ATOM 11 O SER A 2 1.364 -19.745 -17.231 1.00 0.00 O ATOM 12 CB SER A 2 2.910 -20.670 -14.400 1.00 0.00 C ATOM 13 OG SER A 2 3.920 -21.449 -13.782 1.00 0.00 O ATOM 0 H SER A 2 3.849 -20.181 -16.976 1.00 0.00 H new ATOM 0 HA SER A 2 2.284 -22.310 -15.641 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.263 -19.646 -14.527 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.033 -20.627 -13.754 1.00 0.00 H new ATOM 0 HG SER A 2 4.153 -21.055 -12.916 1.00 0.00 H new ATOM 19 N SER A 3 0.132 -20.828 -15.690 1.00 0.00 N ATOM 20 CA SER A 3 -1.125 -20.218 -16.107 1.00 0.00 C ATOM 21 C SER A 3 -2.195 -20.391 -15.033 1.00 0.00 C ATOM 22 O SER A 3 -1.985 -21.083 -14.037 1.00 0.00 O ATOM 23 CB SER A 3 -1.603 -20.834 -17.423 1.00 0.00 C ATOM 24 OG SER A 3 -1.073 -20.135 -18.536 1.00 0.00 O ATOM 0 H SER A 3 0.046 -21.480 -14.911 1.00 0.00 H new ATOM 0 HA SER A 3 -0.952 -19.152 -16.255 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.301 -21.880 -17.469 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.692 -20.815 -17.463 1.00 0.00 H new ATOM 0 HG SER A 3 -0.149 -19.870 -18.346 1.00 0.00 H new ATOM 30 N GLY A 4 -3.344 -19.756 -15.243 1.00 0.00 N ATOM 31 CA GLY A 4 -4.430 -19.851 -14.285 1.00 0.00 C ATOM 32 C GLY A 4 -5.461 -18.755 -14.467 1.00 0.00 C ATOM 33 O GLY A 4 -5.121 -17.626 -14.820 1.00 0.00 O ATOM 0 H GLY A 4 -3.542 -19.178 -16.059 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.915 -20.822 -14.385 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.025 -19.800 -13.275 1.00 0.00 H new ATOM 37 N SER A 5 -6.725 -19.089 -14.228 1.00 0.00 N ATOM 38 CA SER A 5 -7.811 -18.126 -14.374 1.00 0.00 C ATOM 39 C SER A 5 -8.546 -17.933 -13.051 1.00 0.00 C ATOM 40 O SER A 5 -9.251 -18.827 -12.584 1.00 0.00 O ATOM 41 CB SER A 5 -8.791 -18.589 -15.453 1.00 0.00 C ATOM 42 OG SER A 5 -9.624 -17.524 -15.877 1.00 0.00 O ATOM 0 H SER A 5 -7.023 -20.019 -13.932 1.00 0.00 H new ATOM 0 HA SER A 5 -7.379 -17.171 -14.673 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.238 -18.984 -16.305 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.404 -19.403 -15.066 1.00 0.00 H new ATOM 0 HG SER A 5 -10.240 -17.846 -16.568 1.00 0.00 H new ATOM 48 N SER A 6 -8.377 -16.758 -12.453 1.00 0.00 N ATOM 49 CA SER A 6 -9.021 -16.447 -11.182 1.00 0.00 C ATOM 50 C SER A 6 -10.101 -15.386 -11.366 1.00 0.00 C ATOM 51 O SER A 6 -9.840 -14.301 -11.885 1.00 0.00 O ATOM 52 CB SER A 6 -7.984 -15.966 -10.165 1.00 0.00 C ATOM 53 OG SER A 6 -7.191 -14.921 -10.701 1.00 0.00 O ATOM 0 H SER A 6 -7.800 -16.006 -12.828 1.00 0.00 H new ATOM 0 HA SER A 6 -9.491 -17.357 -10.808 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.488 -15.618 -9.263 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.344 -16.798 -9.872 1.00 0.00 H new ATOM 0 HG SER A 6 -7.705 -14.436 -11.380 1.00 0.00 H new ATOM 59 N GLY A 7 -11.317 -15.707 -10.935 1.00 0.00 N ATOM 60 CA GLY A 7 -12.420 -14.771 -11.060 1.00 0.00 C ATOM 61 C GLY A 7 -12.832 -14.180 -9.727 1.00 0.00 C ATOM 62 O GLY A 7 -12.792 -14.858 -8.700 1.00 0.00 O ATOM 0 H GLY A 7 -11.558 -16.598 -10.502 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.135 -13.967 -11.738 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.274 -15.278 -11.509 1.00 0.00 H new ATOM 66 N ARG A 8 -13.228 -12.911 -9.741 1.00 0.00 N ATOM 67 CA ARG A 8 -13.647 -12.227 -8.524 1.00 0.00 C ATOM 68 C ARG A 8 -14.778 -11.245 -8.813 1.00 0.00 C ATOM 69 O ARG A 8 -14.913 -10.747 -9.932 1.00 0.00 O ATOM 70 CB ARG A 8 -12.464 -11.488 -7.896 1.00 0.00 C ATOM 71 CG ARG A 8 -11.363 -12.411 -7.401 1.00 0.00 C ATOM 72 CD ARG A 8 -11.747 -13.086 -6.093 1.00 0.00 C ATOM 73 NE ARG A 8 -10.576 -13.483 -5.317 1.00 0.00 N ATOM 74 CZ ARG A 8 -10.645 -14.165 -4.179 1.00 0.00 C ATOM 75 NH1 ARG A 8 -11.823 -14.523 -3.687 1.00 0.00 N ATOM 76 NH2 ARG A 8 -9.534 -14.490 -3.530 1.00 0.00 N ATOM 0 H ARG A 8 -13.267 -12.336 -10.582 1.00 0.00 H new ATOM 0 HA ARG A 8 -14.012 -12.978 -7.823 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -12.046 -10.799 -8.630 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -12.824 -10.886 -7.062 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -11.156 -13.170 -8.156 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -10.444 -11.841 -7.261 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -12.361 -12.407 -5.501 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -12.357 -13.965 -6.304 1.00 0.00 H new ATOM 0 HE ARG A 8 -9.654 -13.222 -5.668 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -12.679 -14.275 -4.182 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -11.873 -15.047 -2.813 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -8.626 -14.216 -3.905 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -9.588 -15.014 -2.656 1.00 0.00 H new ATOM 90 N THR A 9 -15.591 -10.971 -7.798 1.00 0.00 N ATOM 91 CA THR A 9 -16.712 -10.050 -7.943 1.00 0.00 C ATOM 92 C THR A 9 -16.346 -8.877 -8.845 1.00 0.00 C ATOM 93 O THR A 9 -15.235 -8.351 -8.777 1.00 0.00 O ATOM 94 CB THR A 9 -17.175 -9.508 -6.578 1.00 0.00 C ATOM 95 OG1 THR A 9 -16.062 -8.951 -5.869 1.00 0.00 O ATOM 96 CG2 THR A 9 -17.811 -10.611 -5.745 1.00 0.00 C ATOM 0 H THR A 9 -15.494 -11.374 -6.866 1.00 0.00 H new ATOM 0 HA THR A 9 -17.527 -10.614 -8.397 1.00 0.00 H new ATOM 0 HB THR A 9 -17.919 -8.732 -6.754 1.00 0.00 H new ATOM 0 HG1 THR A 9 -16.365 -8.607 -5.003 1.00 0.00 H new ATOM 0 HG21 THR A 9 -18.130 -10.204 -4.785 1.00 0.00 H new ATOM 0 HG22 THR A 9 -18.675 -11.014 -6.274 1.00 0.00 H new ATOM 0 HG23 THR A 9 -17.084 -11.406 -5.578 1.00 0.00 H new ATOM 104 N HIS A 10 -17.288 -8.470 -9.691 1.00 0.00 N ATOM 105 CA HIS A 10 -17.065 -7.357 -10.606 1.00 0.00 C ATOM 106 C HIS A 10 -17.324 -6.023 -9.913 1.00 0.00 C ATOM 107 O HIS A 10 -17.846 -5.088 -10.520 1.00 0.00 O ATOM 108 CB HIS A 10 -17.967 -7.490 -11.834 1.00 0.00 C ATOM 109 CG HIS A 10 -17.730 -6.433 -12.868 1.00 0.00 C ATOM 110 ND1 HIS A 10 -18.665 -6.091 -13.822 1.00 0.00 N ATOM 111 CD2 HIS A 10 -16.657 -5.640 -13.094 1.00 0.00 C ATOM 112 CE1 HIS A 10 -18.177 -5.134 -14.591 1.00 0.00 C ATOM 113 NE2 HIS A 10 -16.959 -4.842 -14.170 1.00 0.00 N ATOM 0 H HIS A 10 -18.213 -8.895 -9.761 1.00 0.00 H new ATOM 0 HA HIS A 10 -16.023 -7.385 -10.925 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -17.810 -8.470 -12.285 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -19.009 -7.448 -11.516 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -15.734 -5.636 -12.532 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -18.687 -4.669 -15.422 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -16.343 -4.138 -14.578 1.00 0.00 H new ATOM 121 N SER A 11 -16.956 -5.943 -8.638 1.00 0.00 N ATOM 122 CA SER A 11 -17.152 -4.725 -7.861 1.00 0.00 C ATOM 123 C SER A 11 -15.847 -4.280 -7.209 1.00 0.00 C ATOM 124 O SER A 11 -15.616 -4.526 -6.025 1.00 0.00 O ATOM 125 CB SER A 11 -18.222 -4.945 -6.789 1.00 0.00 C ATOM 126 OG SER A 11 -18.319 -3.824 -5.928 1.00 0.00 O ATOM 0 H SER A 11 -16.521 -6.707 -8.122 1.00 0.00 H new ATOM 0 HA SER A 11 -17.484 -3.940 -8.540 1.00 0.00 H new ATOM 0 HB2 SER A 11 -19.186 -5.127 -7.265 1.00 0.00 H new ATOM 0 HB3 SER A 11 -17.981 -5.835 -6.207 1.00 0.00 H new ATOM 0 HG SER A 11 -19.010 -3.989 -5.253 1.00 0.00 H new ATOM 132 N GLY A 12 -14.995 -3.624 -7.991 1.00 0.00 N ATOM 133 CA GLY A 12 -13.723 -3.155 -7.473 1.00 0.00 C ATOM 134 C GLY A 12 -12.541 -3.808 -8.161 1.00 0.00 C ATOM 135 O GLY A 12 -11.578 -3.134 -8.527 1.00 0.00 O ATOM 0 H GLY A 12 -15.163 -3.409 -8.974 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -13.660 -2.074 -7.597 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -13.673 -3.356 -6.403 1.00 0.00 H new ATOM 139 N GLU A 13 -12.612 -5.124 -8.336 1.00 0.00 N ATOM 140 CA GLU A 13 -11.538 -5.868 -8.982 1.00 0.00 C ATOM 141 C GLU A 13 -10.173 -5.348 -8.539 1.00 0.00 C ATOM 142 O GLU A 13 -9.192 -5.436 -9.277 1.00 0.00 O ATOM 143 CB GLU A 13 -11.663 -5.770 -10.504 1.00 0.00 C ATOM 144 CG GLU A 13 -11.525 -4.353 -11.036 1.00 0.00 C ATOM 145 CD GLU A 13 -12.786 -3.533 -10.844 1.00 0.00 C ATOM 146 OE1 GLU A 13 -13.876 -4.135 -10.746 1.00 0.00 O ATOM 147 OE2 GLU A 13 -12.683 -2.289 -10.792 1.00 0.00 O ATOM 0 H GLU A 13 -13.402 -5.696 -8.039 1.00 0.00 H new ATOM 0 HA GLU A 13 -11.624 -6.913 -8.684 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -10.900 -6.398 -10.964 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -12.630 -6.170 -10.807 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -10.694 -3.859 -10.532 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -11.278 -4.390 -12.097 1.00 0.00 H new ATOM 154 N LYS A 14 -10.118 -4.806 -7.327 1.00 0.00 N ATOM 155 CA LYS A 14 -8.876 -4.272 -6.782 1.00 0.00 C ATOM 156 C LYS A 14 -8.788 -4.523 -5.280 1.00 0.00 C ATOM 157 O LYS A 14 -9.497 -3.911 -4.482 1.00 0.00 O ATOM 158 CB LYS A 14 -8.773 -2.772 -7.067 1.00 0.00 C ATOM 159 CG LYS A 14 -8.441 -2.449 -8.513 1.00 0.00 C ATOM 160 CD LYS A 14 -9.084 -1.145 -8.955 1.00 0.00 C ATOM 161 CE LYS A 14 -8.398 -0.574 -10.186 1.00 0.00 C ATOM 162 NZ LYS A 14 -9.235 0.458 -10.859 1.00 0.00 N ATOM 0 H LYS A 14 -10.921 -4.725 -6.703 1.00 0.00 H new ATOM 0 HA LYS A 14 -8.046 -4.785 -7.267 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -9.717 -2.295 -6.805 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -8.008 -2.340 -6.422 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -7.360 -2.381 -8.633 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -8.783 -3.260 -9.156 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -10.139 -1.313 -9.170 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -9.036 -0.421 -8.142 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -7.442 -0.136 -9.899 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -8.181 -1.380 -10.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -8.732 0.823 -11.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -10.137 0.034 -11.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -9.421 1.239 -10.198 1.00 0.00 H new ATOM 176 N PRO A 15 -7.896 -5.443 -4.884 1.00 0.00 N ATOM 177 CA PRO A 15 -7.692 -5.794 -3.475 1.00 0.00 C ATOM 178 C PRO A 15 -7.029 -4.669 -2.688 1.00 0.00 C ATOM 179 O PRO A 15 -6.812 -4.787 -1.481 1.00 0.00 O ATOM 180 CB PRO A 15 -6.772 -7.014 -3.543 1.00 0.00 C ATOM 181 CG PRO A 15 -6.049 -6.873 -4.838 1.00 0.00 C ATOM 182 CD PRO A 15 -7.016 -6.211 -5.781 1.00 0.00 C ATOM 0 HA PRO A 15 -8.635 -5.983 -2.961 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -6.078 -7.034 -2.703 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -7.342 -7.942 -3.507 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -5.147 -6.272 -4.718 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -5.736 -7.845 -5.218 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -6.504 -5.563 -6.493 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -7.576 -6.944 -6.362 1.00 0.00 H new ATOM 190 N TYR A 16 -6.709 -3.579 -3.377 1.00 0.00 N ATOM 191 CA TYR A 16 -6.069 -2.434 -2.742 1.00 0.00 C ATOM 192 C TYR A 16 -6.832 -1.147 -3.042 1.00 0.00 C ATOM 193 O TYR A 16 -7.592 -1.075 -4.007 1.00 0.00 O ATOM 194 CB TYR A 16 -4.621 -2.304 -3.218 1.00 0.00 C ATOM 195 CG TYR A 16 -3.691 -3.332 -2.614 1.00 0.00 C ATOM 196 CD1 TYR A 16 -3.170 -3.162 -1.337 1.00 0.00 C ATOM 197 CD2 TYR A 16 -3.331 -4.473 -3.321 1.00 0.00 C ATOM 198 CE1 TYR A 16 -2.320 -4.098 -0.781 1.00 0.00 C ATOM 199 CE2 TYR A 16 -2.483 -5.415 -2.772 1.00 0.00 C ATOM 200 CZ TYR A 16 -1.979 -5.223 -1.503 1.00 0.00 C ATOM 201 OH TYR A 16 -1.132 -6.158 -0.954 1.00 0.00 O ATOM 0 H TYR A 16 -6.883 -3.465 -4.376 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.077 -2.597 -1.664 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -4.595 -2.396 -4.304 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -4.255 -1.307 -2.973 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -3.434 -2.282 -0.769 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -3.721 -4.626 -4.317 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -1.925 -3.950 0.213 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -2.216 -6.298 -3.334 1.00 0.00 H new ATOM 0 HH TYR A 16 -0.994 -6.889 -1.592 1.00 0.00 H new ATOM 211 N GLU A 17 -6.621 -0.134 -2.208 1.00 0.00 N ATOM 212 CA GLU A 17 -7.289 1.151 -2.383 1.00 0.00 C ATOM 213 C GLU A 17 -6.682 2.209 -1.467 1.00 0.00 C ATOM 214 O GLU A 17 -6.291 1.918 -0.336 1.00 0.00 O ATOM 215 CB GLU A 17 -8.787 1.014 -2.101 1.00 0.00 C ATOM 216 CG GLU A 17 -9.571 2.293 -2.345 1.00 0.00 C ATOM 217 CD GLU A 17 -10.963 2.247 -1.747 1.00 0.00 C ATOM 218 OE1 GLU A 17 -11.200 1.401 -0.859 1.00 0.00 O ATOM 219 OE2 GLU A 17 -11.816 3.057 -2.166 1.00 0.00 O ATOM 0 H GLU A 17 -5.993 -0.178 -1.405 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.149 1.467 -3.417 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -9.195 0.222 -2.729 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.927 0.704 -1.065 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.025 3.136 -1.921 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.646 2.469 -3.418 1.00 0.00 H new ATOM 226 N CYS A 18 -6.606 3.439 -1.963 1.00 0.00 N ATOM 227 CA CYS A 18 -6.046 4.542 -1.192 1.00 0.00 C ATOM 228 C CYS A 18 -7.033 5.020 -0.131 1.00 0.00 C ATOM 229 O CYS A 18 -8.160 5.404 -0.444 1.00 0.00 O ATOM 230 CB CYS A 18 -5.674 5.702 -2.117 1.00 0.00 C ATOM 231 SG CYS A 18 -4.669 6.996 -1.321 1.00 0.00 S ATOM 0 H CYS A 18 -6.926 3.697 -2.897 1.00 0.00 H new ATOM 0 HA CYS A 18 -5.147 4.183 -0.692 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -5.127 5.308 -2.974 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -6.589 6.153 -2.502 1.00 0.00 H new ATOM 236 N TYR A 19 -6.601 4.993 1.125 1.00 0.00 N ATOM 237 CA TYR A 19 -7.447 5.421 2.233 1.00 0.00 C ATOM 238 C TYR A 19 -7.440 6.940 2.369 1.00 0.00 C ATOM 239 O TYR A 19 -7.789 7.483 3.418 1.00 0.00 O ATOM 240 CB TYR A 19 -6.975 4.779 3.539 1.00 0.00 C ATOM 241 CG TYR A 19 -5.474 4.803 3.719 1.00 0.00 C ATOM 242 CD1 TYR A 19 -4.806 5.990 3.995 1.00 0.00 C ATOM 243 CD2 TYR A 19 -4.723 3.639 3.612 1.00 0.00 C ATOM 244 CE1 TYR A 19 -3.435 6.016 4.159 1.00 0.00 C ATOM 245 CE2 TYR A 19 -3.352 3.656 3.776 1.00 0.00 C ATOM 246 CZ TYR A 19 -2.712 4.847 4.048 1.00 0.00 C ATOM 247 OH TYR A 19 -1.346 4.869 4.212 1.00 0.00 O ATOM 0 H TYR A 19 -5.671 4.679 1.401 1.00 0.00 H new ATOM 0 HA TYR A 19 -8.467 5.098 2.024 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -7.441 5.297 4.377 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -7.320 3.745 3.571 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.369 6.908 4.083 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -5.220 2.705 3.397 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.932 6.947 4.373 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -2.784 2.741 3.692 1.00 0.00 H new ATOM 0 HH TYR A 19 -0.989 3.963 4.103 1.00 0.00 H new ATOM 257 N ILE A 20 -7.040 7.621 1.300 1.00 0.00 N ATOM 258 CA ILE A 20 -6.989 9.078 1.297 1.00 0.00 C ATOM 259 C ILE A 20 -7.937 9.659 0.254 1.00 0.00 C ATOM 260 O ILE A 20 -8.758 10.525 0.558 1.00 0.00 O ATOM 261 CB ILE A 20 -5.563 9.591 1.023 1.00 0.00 C ATOM 262 CG1 ILE A 20 -4.591 9.046 2.071 1.00 0.00 C ATOM 263 CG2 ILE A 20 -5.541 11.112 1.011 1.00 0.00 C ATOM 264 CD1 ILE A 20 -3.139 9.327 1.752 1.00 0.00 C ATOM 0 H ILE A 20 -6.747 7.187 0.425 1.00 0.00 H new ATOM 0 HA ILE A 20 -7.299 9.407 2.289 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.246 9.235 0.043 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -4.833 9.482 3.040 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -4.733 7.969 2.161 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -4.526 11.460 0.816 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -6.207 11.479 0.230 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -5.874 11.488 1.978 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -2.507 8.912 2.537 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -2.881 8.868 0.798 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.982 10.404 1.691 1.00 0.00 H new ATOM 276 N CYS A 21 -7.819 9.177 -0.979 1.00 0.00 N ATOM 277 CA CYS A 21 -8.665 9.647 -2.069 1.00 0.00 C ATOM 278 C CYS A 21 -9.632 8.554 -2.517 1.00 0.00 C ATOM 279 O CYS A 21 -10.404 8.742 -3.457 1.00 0.00 O ATOM 280 CB CYS A 21 -7.805 10.099 -3.251 1.00 0.00 C ATOM 281 SG CYS A 21 -6.870 8.754 -4.048 1.00 0.00 S ATOM 0 H CYS A 21 -7.145 8.460 -1.248 1.00 0.00 H new ATOM 0 HA CYS A 21 -9.246 10.495 -1.706 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -8.448 10.571 -3.995 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -7.104 10.860 -2.907 1.00 0.00 H new ATOM 286 N HIS A 22 -9.582 7.413 -1.837 1.00 0.00 N ATOM 287 CA HIS A 22 -10.454 6.290 -2.164 1.00 0.00 C ATOM 288 C HIS A 22 -10.160 5.764 -3.565 1.00 0.00 C ATOM 289 O HIS A 22 -11.060 5.306 -4.269 1.00 0.00 O ATOM 290 CB HIS A 22 -11.921 6.710 -2.062 1.00 0.00 C ATOM 291 CG HIS A 22 -12.244 7.458 -0.805 1.00 0.00 C ATOM 292 ND1 HIS A 22 -12.497 6.835 0.398 1.00 0.00 N ATOM 293 CD2 HIS A 22 -12.352 8.787 -0.570 1.00 0.00 C ATOM 294 CE1 HIS A 22 -12.749 7.748 1.319 1.00 0.00 C ATOM 295 NE2 HIS A 22 -12.667 8.940 0.758 1.00 0.00 N ATOM 0 H HIS A 22 -8.948 7.242 -1.057 1.00 0.00 H new ATOM 0 HA HIS A 22 -10.261 5.492 -1.447 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -12.173 7.333 -2.920 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -12.550 5.821 -2.118 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -12.216 9.579 -1.292 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -12.982 7.552 2.355 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -12.814 9.830 1.234 1.00 0.00 H new ATOM 303 N ALA A 23 -8.894 5.833 -3.964 1.00 0.00 N ATOM 304 CA ALA A 23 -8.481 5.363 -5.281 1.00 0.00 C ATOM 305 C ALA A 23 -8.108 3.885 -5.243 1.00 0.00 C ATOM 306 O ALA A 23 -7.061 3.512 -4.714 1.00 0.00 O ATOM 307 CB ALA A 23 -7.313 6.191 -5.795 1.00 0.00 C ATOM 0 H ALA A 23 -8.137 6.210 -3.394 1.00 0.00 H new ATOM 0 HA ALA A 23 -9.323 5.482 -5.963 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -7.015 5.829 -6.779 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -7.613 7.236 -5.868 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -6.473 6.102 -5.106 1.00 0.00 H new ATOM 313 N ARG A 24 -8.971 3.047 -5.808 1.00 0.00 N ATOM 314 CA ARG A 24 -8.733 1.609 -5.837 1.00 0.00 C ATOM 315 C ARG A 24 -7.514 1.277 -6.693 1.00 0.00 C ATOM 316 O ARG A 24 -7.196 1.993 -7.642 1.00 0.00 O ATOM 317 CB ARG A 24 -9.963 0.877 -6.377 1.00 0.00 C ATOM 318 CG ARG A 24 -11.257 1.264 -5.678 1.00 0.00 C ATOM 319 CD ARG A 24 -11.575 0.317 -4.531 1.00 0.00 C ATOM 320 NE ARG A 24 -12.943 0.484 -4.047 1.00 0.00 N ATOM 321 CZ ARG A 24 -13.993 -0.120 -4.592 1.00 0.00 C ATOM 322 NH1 ARG A 24 -13.833 -0.926 -5.632 1.00 0.00 N ATOM 323 NH2 ARG A 24 -15.207 0.081 -4.095 1.00 0.00 N ATOM 0 H ARG A 24 -9.842 3.339 -6.252 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.541 1.278 -4.817 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.060 1.084 -7.443 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.811 -0.197 -6.273 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -11.176 2.283 -5.299 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -12.077 1.255 -6.396 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.430 -0.712 -4.860 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.877 0.492 -3.712 1.00 0.00 H new ATOM 0 HE ARG A 24 -13.100 1.097 -3.247 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -12.901 -1.084 -6.016 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -14.641 -1.388 -6.048 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -15.334 0.700 -3.294 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -16.013 -0.383 -4.514 1.00 0.00 H new ATOM 337 N PHE A 25 -6.836 0.187 -6.351 1.00 0.00 N ATOM 338 CA PHE A 25 -5.651 -0.240 -7.087 1.00 0.00 C ATOM 339 C PHE A 25 -5.554 -1.762 -7.126 1.00 0.00 C ATOM 340 O PHE A 25 -5.835 -2.440 -6.137 1.00 0.00 O ATOM 341 CB PHE A 25 -4.390 0.347 -6.448 1.00 0.00 C ATOM 342 CG PHE A 25 -4.289 1.839 -6.582 1.00 0.00 C ATOM 343 CD1 PHE A 25 -3.771 2.411 -7.733 1.00 0.00 C ATOM 344 CD2 PHE A 25 -4.712 2.670 -5.557 1.00 0.00 C ATOM 345 CE1 PHE A 25 -3.676 3.784 -7.858 1.00 0.00 C ATOM 346 CE2 PHE A 25 -4.620 4.044 -5.677 1.00 0.00 C ATOM 347 CZ PHE A 25 -4.102 4.602 -6.829 1.00 0.00 C ATOM 0 H PHE A 25 -7.087 -0.417 -5.569 1.00 0.00 H new ATOM 0 HA PHE A 25 -5.737 0.127 -8.110 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -4.372 0.083 -5.391 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -3.513 -0.111 -6.906 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -3.438 1.777 -8.541 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.118 2.239 -4.654 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -3.269 4.218 -8.760 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -4.953 4.680 -4.871 1.00 0.00 H new ATOM 0 HZ PHE A 25 -4.030 5.675 -6.926 1.00 0.00 H new ATOM 357 N THR A 26 -5.156 -2.293 -8.278 1.00 0.00 N ATOM 358 CA THR A 26 -5.023 -3.735 -8.449 1.00 0.00 C ATOM 359 C THR A 26 -3.569 -4.172 -8.317 1.00 0.00 C ATOM 360 O THR A 26 -3.203 -5.272 -8.731 1.00 0.00 O ATOM 361 CB THR A 26 -5.562 -4.190 -9.818 1.00 0.00 C ATOM 362 OG1 THR A 26 -5.488 -5.616 -9.924 1.00 0.00 O ATOM 363 CG2 THR A 26 -4.773 -3.551 -10.950 1.00 0.00 C ATOM 0 H THR A 26 -4.920 -1.746 -9.106 1.00 0.00 H new ATOM 0 HA THR A 26 -5.613 -4.203 -7.661 1.00 0.00 H new ATOM 0 HB THR A 26 -6.602 -3.873 -9.898 1.00 0.00 H new ATOM 0 HG1 THR A 26 -4.654 -5.932 -9.516 1.00 0.00 H new ATOM 0 HG21 THR A 26 -5.172 -3.887 -11.907 1.00 0.00 H new ATOM 0 HG22 THR A 26 -4.855 -2.466 -10.884 1.00 0.00 H new ATOM 0 HG23 THR A 26 -3.725 -3.841 -10.872 1.00 0.00 H new ATOM 371 N GLN A 27 -2.745 -3.305 -7.738 1.00 0.00 N ATOM 372 CA GLN A 27 -1.330 -3.604 -7.553 1.00 0.00 C ATOM 373 C GLN A 27 -0.799 -2.955 -6.278 1.00 0.00 C ATOM 374 O GLN A 27 -0.689 -1.732 -6.192 1.00 0.00 O ATOM 375 CB GLN A 27 -0.522 -3.121 -8.759 1.00 0.00 C ATOM 376 CG GLN A 27 -0.678 -4.003 -9.987 1.00 0.00 C ATOM 377 CD GLN A 27 0.136 -3.509 -11.167 1.00 0.00 C ATOM 378 OE1 GLN A 27 1.102 -2.764 -11.001 1.00 0.00 O ATOM 379 NE2 GLN A 27 -0.252 -3.921 -12.368 1.00 0.00 N ATOM 0 H GLN A 27 -3.032 -2.391 -7.389 1.00 0.00 H new ATOM 0 HA GLN A 27 -1.222 -4.685 -7.462 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -0.830 -2.106 -9.009 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.532 -3.076 -8.485 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -0.373 -5.020 -9.740 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -1.730 -4.045 -10.268 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -1.059 -4.538 -12.459 1.00 0.00 H new ATOM 0 HE22 GLN A 27 0.257 -3.620 -13.199 1.00 0.00 H new ATOM 388 N SER A 28 -0.472 -3.783 -5.291 1.00 0.00 N ATOM 389 CA SER A 28 0.043 -3.290 -4.019 1.00 0.00 C ATOM 390 C SER A 28 1.108 -2.221 -4.242 1.00 0.00 C ATOM 391 O SER A 28 1.168 -1.228 -3.518 1.00 0.00 O ATOM 392 CB SER A 28 0.625 -4.443 -3.199 1.00 0.00 C ATOM 393 OG SER A 28 1.824 -4.926 -3.778 1.00 0.00 O ATOM 0 H SER A 28 -0.555 -4.798 -5.348 1.00 0.00 H new ATOM 0 HA SER A 28 -0.785 -2.844 -3.468 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.819 -4.107 -2.180 1.00 0.00 H new ATOM 0 HB3 SER A 28 -0.103 -5.252 -3.135 1.00 0.00 H new ATOM 0 HG SER A 28 2.177 -5.661 -3.234 1.00 0.00 H new ATOM 399 N GLY A 29 1.948 -2.433 -5.251 1.00 0.00 N ATOM 400 CA GLY A 29 3.000 -1.480 -5.553 1.00 0.00 C ATOM 401 C GLY A 29 2.459 -0.162 -6.069 1.00 0.00 C ATOM 402 O GLY A 29 2.904 0.908 -5.653 1.00 0.00 O ATOM 0 H GLY A 29 1.919 -3.247 -5.864 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.591 -1.300 -4.655 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.672 -1.909 -6.296 1.00 0.00 H new ATOM 406 N THR A 30 1.494 -0.237 -6.982 1.00 0.00 N ATOM 407 CA THR A 30 0.893 0.958 -7.559 1.00 0.00 C ATOM 408 C THR A 30 0.283 1.843 -6.478 1.00 0.00 C ATOM 409 O THR A 30 0.604 3.027 -6.377 1.00 0.00 O ATOM 410 CB THR A 30 -0.195 0.599 -8.588 1.00 0.00 C ATOM 411 OG1 THR A 30 0.346 -0.268 -9.591 1.00 0.00 O ATOM 412 CG2 THR A 30 -0.756 1.853 -9.243 1.00 0.00 C ATOM 0 H THR A 30 1.113 -1.114 -7.337 1.00 0.00 H new ATOM 0 HA THR A 30 1.692 1.502 -8.062 1.00 0.00 H new ATOM 0 HB THR A 30 -1.004 0.089 -8.065 1.00 0.00 H new ATOM 0 HG1 THR A 30 -0.299 -0.365 -10.322 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.523 1.574 -9.966 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.194 2.497 -8.480 1.00 0.00 H new ATOM 0 HG23 THR A 30 0.046 2.387 -9.753 1.00 0.00 H new ATOM 420 N MET A 31 -0.599 1.261 -5.671 1.00 0.00 N ATOM 421 CA MET A 31 -1.253 1.998 -4.596 1.00 0.00 C ATOM 422 C MET A 31 -0.228 2.743 -3.746 1.00 0.00 C ATOM 423 O MET A 31 -0.305 3.961 -3.589 1.00 0.00 O ATOM 424 CB MET A 31 -2.065 1.045 -3.717 1.00 0.00 C ATOM 425 CG MET A 31 -2.924 1.755 -2.683 1.00 0.00 C ATOM 426 SD MET A 31 -3.501 0.649 -1.381 1.00 0.00 S ATOM 427 CE MET A 31 -1.950 -0.049 -0.819 1.00 0.00 C ATOM 0 H MET A 31 -0.877 0.282 -5.741 1.00 0.00 H new ATOM 0 HA MET A 31 -1.925 2.728 -5.046 1.00 0.00 H new ATOM 0 HB2 MET A 31 -2.706 0.435 -4.353 1.00 0.00 H new ATOM 0 HB3 MET A 31 -1.383 0.365 -3.206 1.00 0.00 H new ATOM 0 HG2 MET A 31 -2.351 2.568 -2.236 1.00 0.00 H new ATOM 0 HG3 MET A 31 -3.784 2.206 -3.179 1.00 0.00 H new ATOM 0 HE1 MET A 31 -2.069 -0.430 0.195 1.00 0.00 H new ATOM 0 HE2 MET A 31 -1.657 -0.864 -1.481 1.00 0.00 H new ATOM 0 HE3 MET A 31 -1.179 0.722 -0.829 1.00 0.00 H new ATOM 437 N LYS A 32 0.731 2.003 -3.199 1.00 0.00 N ATOM 438 CA LYS A 32 1.771 2.593 -2.366 1.00 0.00 C ATOM 439 C LYS A 32 2.480 3.727 -3.101 1.00 0.00 C ATOM 440 O LYS A 32 2.700 4.800 -2.541 1.00 0.00 O ATOM 441 CB LYS A 32 2.787 1.527 -1.951 1.00 0.00 C ATOM 442 CG LYS A 32 2.197 0.429 -1.084 1.00 0.00 C ATOM 443 CD LYS A 32 3.052 -0.826 -1.113 1.00 0.00 C ATOM 444 CE LYS A 32 2.373 -1.981 -0.392 1.00 0.00 C ATOM 445 NZ LYS A 32 3.361 -2.959 0.143 1.00 0.00 N ATOM 0 H LYS A 32 0.809 0.993 -3.318 1.00 0.00 H new ATOM 0 HA LYS A 32 1.297 3.002 -1.474 1.00 0.00 H new ATOM 0 HB2 LYS A 32 3.217 1.079 -2.847 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.603 2.006 -1.410 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.106 0.784 -0.058 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.191 0.193 -1.430 1.00 0.00 H new ATOM 0 HD2 LYS A 32 3.251 -1.108 -2.147 1.00 0.00 H new ATOM 0 HD3 LYS A 32 4.016 -0.621 -0.647 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.767 -1.592 0.426 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.694 -2.488 -1.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.859 -3.730 0.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.922 -3.349 -0.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.993 -2.481 0.817 1.00 0.00 H new ATOM 459 N MET A 33 2.833 3.480 -4.359 1.00 0.00 N ATOM 460 CA MET A 33 3.514 4.482 -5.171 1.00 0.00 C ATOM 461 C MET A 33 2.615 5.691 -5.411 1.00 0.00 C ATOM 462 O MET A 33 3.096 6.792 -5.679 1.00 0.00 O ATOM 463 CB MET A 33 3.944 3.878 -6.509 1.00 0.00 C ATOM 464 CG MET A 33 5.337 3.270 -6.482 1.00 0.00 C ATOM 465 SD MET A 33 5.668 2.230 -7.917 1.00 0.00 S ATOM 466 CE MET A 33 5.657 0.603 -7.166 1.00 0.00 C ATOM 0 H MET A 33 2.659 2.596 -4.837 1.00 0.00 H new ATOM 0 HA MET A 33 4.399 4.813 -4.628 1.00 0.00 H new ATOM 0 HB2 MET A 33 3.227 3.110 -6.799 1.00 0.00 H new ATOM 0 HB3 MET A 33 3.909 4.652 -7.276 1.00 0.00 H new ATOM 0 HG2 MET A 33 6.077 4.069 -6.439 1.00 0.00 H new ATOM 0 HG3 MET A 33 5.453 2.678 -5.574 1.00 0.00 H new ATOM 0 HE1 MET A 33 6.663 0.184 -7.191 1.00 0.00 H new ATOM 0 HE2 MET A 33 5.323 0.682 -6.132 1.00 0.00 H new ATOM 0 HE3 MET A 33 4.979 -0.048 -7.718 1.00 0.00 H new ATOM 476 N HIS A 34 1.306 5.478 -5.313 1.00 0.00 N ATOM 477 CA HIS A 34 0.340 6.551 -5.519 1.00 0.00 C ATOM 478 C HIS A 34 0.245 7.441 -4.283 1.00 0.00 C ATOM 479 O HIS A 34 0.249 8.668 -4.389 1.00 0.00 O ATOM 480 CB HIS A 34 -1.035 5.970 -5.850 1.00 0.00 C ATOM 481 CG HIS A 34 -2.153 6.956 -5.703 1.00 0.00 C ATOM 482 ND1 HIS A 34 -2.500 7.854 -6.690 1.00 0.00 N ATOM 483 CD2 HIS A 34 -3.005 7.181 -4.675 1.00 0.00 C ATOM 484 CE1 HIS A 34 -3.516 8.590 -6.276 1.00 0.00 C ATOM 485 NE2 HIS A 34 -3.842 8.201 -5.056 1.00 0.00 N ATOM 0 H HIS A 34 0.891 4.573 -5.092 1.00 0.00 H new ATOM 0 HA HIS A 34 0.681 7.159 -6.357 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -1.025 5.594 -6.873 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -1.226 5.117 -5.199 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -2.043 7.937 -7.598 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -3.023 6.656 -3.731 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -3.998 9.376 -6.839 1.00 0.00 H new ATOM 493 N ILE A 35 0.158 6.815 -3.114 1.00 0.00 N ATOM 494 CA ILE A 35 0.062 7.551 -1.860 1.00 0.00 C ATOM 495 C ILE A 35 1.302 8.408 -1.629 1.00 0.00 C ATOM 496 O ILE A 35 1.252 9.415 -0.922 1.00 0.00 O ATOM 497 CB ILE A 35 -0.122 6.601 -0.662 1.00 0.00 C ATOM 498 CG1 ILE A 35 -1.324 5.682 -0.892 1.00 0.00 C ATOM 499 CG2 ILE A 35 -0.294 7.396 0.624 1.00 0.00 C ATOM 500 CD1 ILE A 35 -1.505 4.642 0.191 1.00 0.00 C ATOM 0 H ILE A 35 0.152 5.800 -3.010 1.00 0.00 H new ATOM 0 HA ILE A 35 -0.813 8.196 -1.939 1.00 0.00 H new ATOM 0 HB ILE A 35 0.771 5.983 -0.567 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.227 6.288 -0.957 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.208 5.179 -1.852 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.423 6.710 1.461 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.590 8.012 0.792 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.172 8.036 0.541 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.375 4.027 -0.037 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.618 4.011 0.242 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.653 5.138 1.150 1.00 0.00 H new ATOM 512 N LEU A 36 2.415 8.002 -2.231 1.00 0.00 N ATOM 513 CA LEU A 36 3.670 8.734 -2.093 1.00 0.00 C ATOM 514 C LEU A 36 3.872 9.693 -3.261 1.00 0.00 C ATOM 515 O LEU A 36 4.804 10.497 -3.261 1.00 0.00 O ATOM 516 CB LEU A 36 4.845 7.758 -2.009 1.00 0.00 C ATOM 517 CG LEU A 36 5.423 7.288 -3.344 1.00 0.00 C ATOM 518 CD1 LEU A 36 6.376 8.330 -3.909 1.00 0.00 C ATOM 519 CD2 LEU A 36 6.131 5.951 -3.178 1.00 0.00 C ATOM 0 H LEU A 36 2.474 7.171 -2.819 1.00 0.00 H new ATOM 0 HA LEU A 36 3.624 9.317 -1.173 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.643 8.230 -1.436 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.524 6.882 -1.446 1.00 0.00 H new ATOM 0 HG LEU A 36 4.601 7.157 -4.048 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.778 7.978 -4.859 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.840 9.266 -4.066 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.194 8.493 -3.207 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.536 5.632 -4.138 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.943 6.056 -2.459 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.422 5.206 -2.818 1.00 0.00 H new ATOM 531 N GLN A 37 2.993 9.603 -4.253 1.00 0.00 N ATOM 532 CA GLN A 37 3.075 10.464 -5.427 1.00 0.00 C ATOM 533 C GLN A 37 2.075 11.611 -5.331 1.00 0.00 C ATOM 534 O GLN A 37 2.397 12.758 -5.644 1.00 0.00 O ATOM 535 CB GLN A 37 2.819 9.654 -6.699 1.00 0.00 C ATOM 536 CG GLN A 37 4.033 8.873 -7.177 1.00 0.00 C ATOM 537 CD GLN A 37 4.977 9.715 -8.011 1.00 0.00 C ATOM 538 OE1 GLN A 37 4.909 10.945 -7.996 1.00 0.00 O ATOM 539 NE2 GLN A 37 5.867 9.057 -8.745 1.00 0.00 N ATOM 0 H GLN A 37 2.216 8.943 -4.268 1.00 0.00 H new ATOM 0 HA GLN A 37 4.080 10.884 -5.469 1.00 0.00 H new ATOM 0 HB2 GLN A 37 1.998 8.960 -6.519 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.497 10.330 -7.491 1.00 0.00 H new ATOM 0 HG2 GLN A 37 4.570 8.479 -6.314 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.701 8.017 -7.764 1.00 0.00 H new ATOM 0 HE21 GLN A 37 5.888 8.037 -8.728 1.00 0.00 H new ATOM 0 HE22 GLN A 37 6.529 9.571 -9.326 1.00 0.00 H new ATOM 548 N LYS A 38 0.859 11.296 -4.897 1.00 0.00 N ATOM 549 CA LYS A 38 -0.189 12.299 -4.759 1.00 0.00 C ATOM 550 C LYS A 38 -0.236 12.845 -3.335 1.00 0.00 C ATOM 551 O LYS A 38 -0.528 14.021 -3.120 1.00 0.00 O ATOM 552 CB LYS A 38 -1.548 11.703 -5.133 1.00 0.00 C ATOM 553 CG LYS A 38 -1.586 11.104 -6.529 1.00 0.00 C ATOM 554 CD LYS A 38 -1.178 12.120 -7.582 1.00 0.00 C ATOM 555 CE LYS A 38 0.285 11.966 -7.969 1.00 0.00 C ATOM 556 NZ LYS A 38 0.588 12.629 -9.267 1.00 0.00 N ATOM 0 H LYS A 38 0.575 10.352 -4.635 1.00 0.00 H new ATOM 0 HA LYS A 38 0.039 13.121 -5.437 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.809 10.932 -4.408 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.309 12.480 -5.059 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.919 10.243 -6.575 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -2.591 10.740 -6.743 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -1.804 12.000 -8.466 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -1.351 13.127 -7.203 1.00 0.00 H new ATOM 0 HE2 LYS A 38 0.914 12.393 -7.188 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.534 10.907 -8.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 1.595 12.501 -9.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 0.006 12.205 -10.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.375 13.645 -9.196 1.00 0.00 H new ATOM 570 N HIS A 39 0.055 11.983 -2.366 1.00 0.00 N ATOM 571 CA HIS A 39 0.048 12.379 -0.963 1.00 0.00 C ATOM 572 C HIS A 39 1.443 12.257 -0.357 1.00 0.00 C ATOM 573 O HIS A 39 1.604 11.783 0.768 1.00 0.00 O ATOM 574 CB HIS A 39 -0.940 11.520 -0.173 1.00 0.00 C ATOM 575 CG HIS A 39 -2.256 11.334 -0.863 1.00 0.00 C ATOM 576 ND1 HIS A 39 -3.081 12.384 -1.207 1.00 0.00 N ATOM 577 CD2 HIS A 39 -2.889 10.210 -1.275 1.00 0.00 C ATOM 578 CE1 HIS A 39 -4.164 11.914 -1.799 1.00 0.00 C ATOM 579 NE2 HIS A 39 -4.072 10.598 -1.853 1.00 0.00 N ATOM 0 H HIS A 39 0.299 11.006 -2.527 1.00 0.00 H new ATOM 0 HA HIS A 39 -0.264 13.422 -0.908 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -0.494 10.543 0.010 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -1.111 11.980 0.800 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -2.885 13.370 -1.032 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -2.530 9.197 -1.169 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -4.985 12.506 -2.175 1.00 0.00 H new ATOM 587 N THR A 40 2.450 12.688 -1.111 1.00 0.00 N ATOM 588 CA THR A 40 3.831 12.626 -0.649 1.00 0.00 C ATOM 589 C THR A 40 4.002 13.360 0.676 1.00 0.00 C ATOM 590 O THR A 40 4.740 12.912 1.553 1.00 0.00 O ATOM 591 CB THR A 40 4.798 13.229 -1.686 1.00 0.00 C ATOM 592 OG1 THR A 40 6.096 13.397 -1.106 1.00 0.00 O ATOM 593 CG2 THR A 40 4.284 14.570 -2.188 1.00 0.00 C ATOM 0 H THR A 40 2.335 13.084 -2.044 1.00 0.00 H new ATOM 0 HA THR A 40 4.070 11.572 -0.510 1.00 0.00 H new ATOM 0 HB THR A 40 4.864 12.543 -2.531 1.00 0.00 H new ATOM 0 HG1 THR A 40 6.705 13.779 -1.772 1.00 0.00 H new ATOM 0 HG21 THR A 40 4.983 14.977 -2.919 1.00 0.00 H new ATOM 0 HG22 THR A 40 3.309 14.434 -2.655 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.192 15.261 -1.350 1.00 0.00 H new ATOM 601 N GLU A 41 3.315 14.489 0.814 1.00 0.00 N ATOM 602 CA GLU A 41 3.391 15.285 2.033 1.00 0.00 C ATOM 603 C GLU A 41 2.192 15.013 2.937 1.00 0.00 C ATOM 604 O GLU A 41 2.291 15.101 4.160 1.00 0.00 O ATOM 605 CB GLU A 41 3.460 16.776 1.693 1.00 0.00 C ATOM 606 CG GLU A 41 2.280 17.266 0.870 1.00 0.00 C ATOM 607 CD GLU A 41 2.441 18.706 0.421 1.00 0.00 C ATOM 608 OE1 GLU A 41 2.512 19.596 1.294 1.00 0.00 O ATOM 609 OE2 GLU A 41 2.496 18.942 -0.804 1.00 0.00 O ATOM 0 H GLU A 41 2.700 14.873 0.097 1.00 0.00 H new ATOM 0 HA GLU A 41 4.298 14.999 2.566 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.510 17.350 2.619 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.382 16.973 1.145 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.162 16.627 -0.005 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.367 17.172 1.458 1.00 0.00 H new ATOM 616 N ASN A 42 1.060 14.684 2.325 1.00 0.00 N ATOM 617 CA ASN A 42 -0.159 14.400 3.073 1.00 0.00 C ATOM 618 C ASN A 42 -0.106 13.006 3.691 1.00 0.00 C ATOM 619 O ASN A 42 -0.974 12.170 3.439 1.00 0.00 O ATOM 620 CB ASN A 42 -1.382 14.519 2.161 1.00 0.00 C ATOM 621 CG ASN A 42 -1.649 15.950 1.736 1.00 0.00 C ATOM 622 OD1 ASN A 42 -1.582 16.281 0.553 1.00 0.00 O ATOM 623 ND2 ASN A 42 -1.954 16.807 2.704 1.00 0.00 N ATOM 0 H ASN A 42 0.961 14.607 1.313 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.241 15.132 3.877 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.233 13.902 1.275 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.258 14.127 2.679 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -2.144 17.784 2.479 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -1.998 16.488 3.672 1.00 0.00 H new ATOM 630 N VAL A 43 0.918 12.763 4.503 1.00 0.00 N ATOM 631 CA VAL A 43 1.085 11.472 5.159 1.00 0.00 C ATOM 632 C VAL A 43 2.185 11.528 6.213 1.00 0.00 C ATOM 633 O VAL A 43 3.158 12.267 6.069 1.00 0.00 O ATOM 634 CB VAL A 43 1.419 10.365 4.142 1.00 0.00 C ATOM 635 CG1 VAL A 43 2.607 10.770 3.282 1.00 0.00 C ATOM 636 CG2 VAL A 43 1.693 9.050 4.857 1.00 0.00 C ATOM 0 H VAL A 43 1.645 13.444 4.722 1.00 0.00 H new ATOM 0 HA VAL A 43 0.136 11.238 5.642 1.00 0.00 H new ATOM 0 HB VAL A 43 0.558 10.225 3.488 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.828 9.975 2.569 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.369 11.686 2.741 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.476 10.939 3.918 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.927 8.279 4.123 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.537 9.174 5.535 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.811 8.754 5.425 1.00 0.00 H new ATOM 646 N ALA A 44 2.023 10.742 7.272 1.00 0.00 N ATOM 647 CA ALA A 44 3.004 10.700 8.349 1.00 0.00 C ATOM 648 C ALA A 44 4.062 9.634 8.088 1.00 0.00 C ATOM 649 O ALA A 44 5.227 9.947 7.843 1.00 0.00 O ATOM 650 CB ALA A 44 2.314 10.446 9.681 1.00 0.00 C ATOM 0 H ALA A 44 1.222 10.126 7.407 1.00 0.00 H new ATOM 0 HA ALA A 44 3.504 11.668 8.389 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.058 10.417 10.477 1.00 0.00 H new ATOM 0 HB2 ALA A 44 1.601 11.246 9.880 1.00 0.00 H new ATOM 0 HB3 ALA A 44 1.787 9.492 9.642 1.00 0.00 H new ATOM 656 N LYS A 45 3.649 8.372 8.141 1.00 0.00 N ATOM 657 CA LYS A 45 4.561 7.258 7.909 1.00 0.00 C ATOM 658 C LYS A 45 4.730 6.994 6.416 1.00 0.00 C ATOM 659 O LYS A 45 3.755 6.984 5.664 1.00 0.00 O ATOM 660 CB LYS A 45 4.046 5.997 8.606 1.00 0.00 C ATOM 661 CG LYS A 45 4.043 6.097 10.121 1.00 0.00 C ATOM 662 CD LYS A 45 3.522 4.822 10.764 1.00 0.00 C ATOM 663 CE LYS A 45 4.037 4.663 12.186 1.00 0.00 C ATOM 664 NZ LYS A 45 5.494 4.357 12.216 1.00 0.00 N ATOM 0 H LYS A 45 2.688 8.095 8.343 1.00 0.00 H new ATOM 0 HA LYS A 45 5.533 7.524 8.325 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.033 5.790 8.262 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.663 5.149 8.308 1.00 0.00 H new ATOM 0 HG2 LYS A 45 5.054 6.297 10.475 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.425 6.940 10.430 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.432 4.836 10.770 1.00 0.00 H new ATOM 0 HD3 LYS A 45 3.826 3.962 10.168 1.00 0.00 H new ATOM 0 HE2 LYS A 45 3.846 5.579 12.746 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.488 3.864 12.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.773 4.090 13.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.697 3.570 11.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.031 5.197 11.921 1.00 0.00 H new ATOM 678 N PHE A 46 5.971 6.780 5.994 1.00 0.00 N ATOM 679 CA PHE A 46 6.267 6.515 4.591 1.00 0.00 C ATOM 680 C PHE A 46 6.489 5.024 4.354 1.00 0.00 C ATOM 681 O PHE A 46 7.555 4.488 4.656 1.00 0.00 O ATOM 682 CB PHE A 46 7.503 7.303 4.151 1.00 0.00 C ATOM 683 CG PHE A 46 7.263 8.781 4.036 1.00 0.00 C ATOM 684 CD1 PHE A 46 7.170 9.571 5.171 1.00 0.00 C ATOM 685 CD2 PHE A 46 7.131 9.380 2.794 1.00 0.00 C ATOM 686 CE1 PHE A 46 6.948 10.931 5.067 1.00 0.00 C ATOM 687 CE2 PHE A 46 6.909 10.740 2.685 1.00 0.00 C ATOM 688 CZ PHE A 46 6.819 11.517 3.823 1.00 0.00 C ATOM 0 H PHE A 46 6.789 6.785 6.604 1.00 0.00 H new ATOM 0 HA PHE A 46 5.410 6.835 3.998 1.00 0.00 H new ATOM 0 HB2 PHE A 46 8.308 7.128 4.865 1.00 0.00 H new ATOM 0 HB3 PHE A 46 7.843 6.922 3.188 1.00 0.00 H new ATOM 0 HD1 PHE A 46 7.272 9.119 6.147 1.00 0.00 H new ATOM 0 HD2 PHE A 46 7.202 8.778 1.901 1.00 0.00 H new ATOM 0 HE1 PHE A 46 6.875 11.536 5.959 1.00 0.00 H new ATOM 0 HE2 PHE A 46 6.806 11.194 1.711 1.00 0.00 H new ATOM 0 HZ PHE A 46 6.648 12.580 3.740 1.00 0.00 H new ATOM 698 N HIS A 47 5.473 4.361 3.810 1.00 0.00 N ATOM 699 CA HIS A 47 5.556 2.931 3.532 1.00 0.00 C ATOM 700 C HIS A 47 6.221 2.678 2.182 1.00 0.00 C ATOM 701 O HIS A 47 5.798 3.218 1.159 1.00 0.00 O ATOM 702 CB HIS A 47 4.161 2.305 3.552 1.00 0.00 C ATOM 703 CG HIS A 47 3.683 1.952 4.926 1.00 0.00 C ATOM 704 ND1 HIS A 47 3.780 0.682 5.454 1.00 0.00 N ATOM 705 CD2 HIS A 47 3.102 2.712 5.884 1.00 0.00 C ATOM 706 CE1 HIS A 47 3.278 0.676 6.676 1.00 0.00 C ATOM 707 NE2 HIS A 47 2.860 1.896 6.961 1.00 0.00 N ATOM 0 H HIS A 47 4.584 4.790 3.553 1.00 0.00 H new ATOM 0 HA HIS A 47 6.165 2.469 4.309 1.00 0.00 H new ATOM 0 HB2 HIS A 47 3.454 2.999 3.097 1.00 0.00 H new ATOM 0 HB3 HIS A 47 4.166 1.406 2.936 1.00 0.00 H new ATOM 0 HD2 HIS A 47 2.872 3.765 5.814 1.00 0.00 H new ATOM 0 HE1 HIS A 47 3.219 -0.181 7.331 1.00 0.00 H new ATOM 0 HE2 HIS A 47 2.428 2.185 7.839 1.00 0.00 H new ATOM 715 N CYS A 48 7.264 1.855 2.187 1.00 0.00 N ATOM 716 CA CYS A 48 7.989 1.532 0.964 1.00 0.00 C ATOM 717 C CYS A 48 7.043 0.981 -0.099 1.00 0.00 C ATOM 718 O CYS A 48 6.199 0.126 0.168 1.00 0.00 O ATOM 719 CB CYS A 48 9.094 0.514 1.256 1.00 0.00 C ATOM 720 SG CYS A 48 10.013 -0.029 -0.220 1.00 0.00 S ATOM 0 H CYS A 48 7.626 1.399 3.025 1.00 0.00 H new ATOM 0 HA CYS A 48 8.439 2.449 0.584 1.00 0.00 H new ATOM 0 HB2 CYS A 48 9.795 0.949 1.968 1.00 0.00 H new ATOM 0 HB3 CYS A 48 8.652 -0.358 1.737 1.00 0.00 H new ATOM 725 N PRO A 49 7.187 1.482 -1.335 1.00 0.00 N ATOM 726 CA PRO A 49 6.355 1.054 -2.464 1.00 0.00 C ATOM 727 C PRO A 49 6.661 -0.374 -2.901 1.00 0.00 C ATOM 728 O PRO A 49 6.151 -0.846 -3.918 1.00 0.00 O ATOM 729 CB PRO A 49 6.725 2.043 -3.572 1.00 0.00 C ATOM 730 CG PRO A 49 8.101 2.500 -3.228 1.00 0.00 C ATOM 731 CD PRO A 49 8.172 2.503 -1.726 1.00 0.00 C ATOM 0 HA PRO A 49 5.295 1.053 -2.211 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.699 1.567 -4.552 1.00 0.00 H new ATOM 0 HB3 PRO A 49 6.027 2.879 -3.605 1.00 0.00 H new ATOM 0 HG2 PRO A 49 8.851 1.833 -3.653 1.00 0.00 H new ATOM 0 HG3 PRO A 49 8.294 3.495 -3.630 1.00 0.00 H new ATOM 0 HD2 PRO A 49 9.172 2.253 -1.371 1.00 0.00 H new ATOM 0 HD3 PRO A 49 7.922 3.481 -1.314 1.00 0.00 H new ATOM 739 N HIS A 50 7.498 -1.059 -2.127 1.00 0.00 N ATOM 740 CA HIS A 50 7.871 -2.435 -2.435 1.00 0.00 C ATOM 741 C HIS A 50 7.615 -3.348 -1.240 1.00 0.00 C ATOM 742 O HIS A 50 6.683 -4.153 -1.249 1.00 0.00 O ATOM 743 CB HIS A 50 9.344 -2.508 -2.840 1.00 0.00 C ATOM 744 CG HIS A 50 9.739 -1.475 -3.850 1.00 0.00 C ATOM 745 ND1 HIS A 50 9.137 -1.361 -5.086 1.00 0.00 N ATOM 746 CD2 HIS A 50 10.680 -0.504 -3.802 1.00 0.00 C ATOM 747 CE1 HIS A 50 9.692 -0.366 -5.754 1.00 0.00 C ATOM 748 NE2 HIS A 50 10.631 0.171 -4.997 1.00 0.00 N ATOM 0 H HIS A 50 7.930 -0.684 -1.283 1.00 0.00 H new ATOM 0 HA HIS A 50 7.255 -2.774 -3.268 1.00 0.00 H new ATOM 0 HB2 HIS A 50 9.963 -2.390 -1.951 1.00 0.00 H new ATOM 0 HB3 HIS A 50 9.552 -3.498 -3.245 1.00 0.00 H new ATOM 0 HD1 HIS A 50 8.381 -1.953 -5.430 1.00 0.00 H new ATOM 0 HD2 HIS A 50 11.346 -0.298 -2.977 1.00 0.00 H new ATOM 0 HE1 HIS A 50 9.423 -0.046 -6.750 1.00 0.00 H new ATOM 756 N CYS A 51 8.447 -3.217 -0.212 1.00 0.00 N ATOM 757 CA CYS A 51 8.312 -4.030 0.991 1.00 0.00 C ATOM 758 C CYS A 51 7.552 -3.273 2.076 1.00 0.00 C ATOM 759 O CYS A 51 7.313 -2.071 1.958 1.00 0.00 O ATOM 760 CB CYS A 51 9.690 -4.441 1.511 1.00 0.00 C ATOM 761 SG CYS A 51 10.659 -3.069 2.216 1.00 0.00 S ATOM 0 H CYS A 51 9.223 -2.555 -0.188 1.00 0.00 H new ATOM 0 HA CYS A 51 7.747 -4.925 0.733 1.00 0.00 H new ATOM 0 HB2 CYS A 51 9.564 -5.211 2.272 1.00 0.00 H new ATOM 0 HB3 CYS A 51 10.256 -4.889 0.694 1.00 0.00 H new ATOM 766 N ASP A 52 7.175 -3.985 3.132 1.00 0.00 N ATOM 767 CA ASP A 52 6.443 -3.382 4.240 1.00 0.00 C ATOM 768 C ASP A 52 7.403 -2.774 5.258 1.00 0.00 C ATOM 769 O ASP A 52 7.541 -3.277 6.374 1.00 0.00 O ATOM 770 CB ASP A 52 5.552 -4.423 4.918 1.00 0.00 C ATOM 771 CG ASP A 52 6.197 -5.794 4.966 1.00 0.00 C ATOM 772 OD1 ASP A 52 7.434 -5.863 5.123 1.00 0.00 O ATOM 773 OD2 ASP A 52 5.465 -6.799 4.847 1.00 0.00 O ATOM 0 H ASP A 52 7.364 -4.981 3.244 1.00 0.00 H new ATOM 0 HA ASP A 52 5.816 -2.586 3.838 1.00 0.00 H new ATOM 0 HB2 ASP A 52 5.324 -4.096 5.933 1.00 0.00 H new ATOM 0 HB3 ASP A 52 4.604 -4.489 4.384 1.00 0.00 H new ATOM 778 N THR A 53 8.065 -1.690 4.867 1.00 0.00 N ATOM 779 CA THR A 53 9.014 -1.016 5.744 1.00 0.00 C ATOM 780 C THR A 53 8.625 0.443 5.955 1.00 0.00 C ATOM 781 O THR A 53 8.205 1.126 5.021 1.00 0.00 O ATOM 782 CB THR A 53 10.445 -1.077 5.178 1.00 0.00 C ATOM 783 OG1 THR A 53 10.865 -2.441 5.055 1.00 0.00 O ATOM 784 CG2 THR A 53 11.414 -0.321 6.074 1.00 0.00 C ATOM 0 H THR A 53 7.961 -1.260 3.948 1.00 0.00 H new ATOM 0 HA THR A 53 8.988 -1.539 6.700 1.00 0.00 H new ATOM 0 HB THR A 53 10.444 -0.608 4.194 1.00 0.00 H new ATOM 0 HG1 THR A 53 11.198 -2.600 4.147 1.00 0.00 H new ATOM 0 HG21 THR A 53 12.418 -0.378 5.654 1.00 0.00 H new ATOM 0 HG22 THR A 53 11.108 0.723 6.142 1.00 0.00 H new ATOM 0 HG23 THR A 53 11.411 -0.765 7.069 1.00 0.00 H new ATOM 792 N VAL A 54 8.769 0.917 7.189 1.00 0.00 N ATOM 793 CA VAL A 54 8.435 2.296 7.523 1.00 0.00 C ATOM 794 C VAL A 54 9.636 3.215 7.327 1.00 0.00 C ATOM 795 O VAL A 54 10.763 2.863 7.678 1.00 0.00 O ATOM 796 CB VAL A 54 7.940 2.418 8.976 1.00 0.00 C ATOM 797 CG1 VAL A 54 7.688 3.875 9.334 1.00 0.00 C ATOM 798 CG2 VAL A 54 6.685 1.584 9.183 1.00 0.00 C ATOM 0 H VAL A 54 9.115 0.365 7.974 1.00 0.00 H new ATOM 0 HA VAL A 54 7.635 2.600 6.848 1.00 0.00 H new ATOM 0 HB VAL A 54 8.716 2.035 9.639 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.339 3.941 10.364 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.613 4.441 9.227 1.00 0.00 H new ATOM 0 HG13 VAL A 54 6.931 4.288 8.667 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.349 1.682 10.215 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.901 1.934 8.512 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.904 0.538 8.971 1.00 0.00 H new ATOM 808 N ILE A 55 9.387 4.393 6.766 1.00 0.00 N ATOM 809 CA ILE A 55 10.448 5.364 6.526 1.00 0.00 C ATOM 810 C ILE A 55 10.102 6.718 7.135 1.00 0.00 C ATOM 811 O ILE A 55 9.014 7.249 6.916 1.00 0.00 O ATOM 812 CB ILE A 55 10.715 5.544 5.020 1.00 0.00 C ATOM 813 CG1 ILE A 55 10.990 4.190 4.363 1.00 0.00 C ATOM 814 CG2 ILE A 55 11.883 6.493 4.799 1.00 0.00 C ATOM 815 CD1 ILE A 55 12.317 3.583 4.762 1.00 0.00 C ATOM 0 H ILE A 55 8.460 4.699 6.469 1.00 0.00 H new ATOM 0 HA ILE A 55 11.347 4.974 7.002 1.00 0.00 H new ATOM 0 HB ILE A 55 9.828 5.977 4.558 1.00 0.00 H new ATOM 0 HG12 ILE A 55 10.190 3.498 4.626 1.00 0.00 H new ATOM 0 HG13 ILE A 55 10.965 4.309 3.280 1.00 0.00 H new ATOM 0 HG21 ILE A 55 12.059 6.610 3.730 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.651 7.464 5.237 1.00 0.00 H new ATOM 0 HG23 ILE A 55 12.777 6.086 5.272 1.00 0.00 H new ATOM 0 HD11 ILE A 55 12.445 2.625 4.259 1.00 0.00 H new ATOM 0 HD12 ILE A 55 13.126 4.255 4.474 1.00 0.00 H new ATOM 0 HD13 ILE A 55 12.338 3.431 5.841 1.00 0.00 H new ATOM 827 N ALA A 56 11.037 7.273 7.900 1.00 0.00 N ATOM 828 CA ALA A 56 10.833 8.567 8.538 1.00 0.00 C ATOM 829 C ALA A 56 10.202 9.563 7.570 1.00 0.00 C ATOM 830 O ALA A 56 9.009 9.855 7.657 1.00 0.00 O ATOM 831 CB ALA A 56 12.153 9.108 9.068 1.00 0.00 C ATOM 0 H ALA A 56 11.943 6.846 8.093 1.00 0.00 H new ATOM 0 HA ALA A 56 10.148 8.428 9.374 1.00 0.00 H new ATOM 0 HB1 ALA A 56 11.986 10.075 9.542 1.00 0.00 H new ATOM 0 HB2 ALA A 56 12.564 8.412 9.799 1.00 0.00 H new ATOM 0 HB3 ALA A 56 12.856 9.225 8.243 1.00 0.00 H new ATOM 837 N ARG A 57 11.010 10.080 6.650 1.00 0.00 N ATOM 838 CA ARG A 57 10.530 11.045 5.668 1.00 0.00 C ATOM 839 C ARG A 57 10.837 10.574 4.249 1.00 0.00 C ATOM 840 O ARG A 57 11.497 9.554 4.051 1.00 0.00 O ATOM 841 CB ARG A 57 11.167 12.414 5.912 1.00 0.00 C ATOM 842 CG ARG A 57 12.681 12.415 5.771 1.00 0.00 C ATOM 843 CD ARG A 57 13.364 12.106 7.094 1.00 0.00 C ATOM 844 NE ARG A 57 13.532 13.302 7.915 1.00 0.00 N ATOM 845 CZ ARG A 57 14.049 13.286 9.139 1.00 0.00 C ATOM 846 NH1 ARG A 57 14.446 12.142 9.680 1.00 0.00 N ATOM 847 NH2 ARG A 57 14.170 14.416 9.824 1.00 0.00 N ATOM 0 H ARG A 57 11.999 9.847 6.564 1.00 0.00 H new ATOM 0 HA ARG A 57 9.449 11.131 5.778 1.00 0.00 H new ATOM 0 HB2 ARG A 57 10.745 13.132 5.209 1.00 0.00 H new ATOM 0 HB3 ARG A 57 10.904 12.755 6.913 1.00 0.00 H new ATOM 0 HG2 ARG A 57 12.979 11.677 5.026 1.00 0.00 H new ATOM 0 HG3 ARG A 57 13.013 13.387 5.407 1.00 0.00 H new ATOM 0 HD2 ARG A 57 12.776 11.370 7.642 1.00 0.00 H new ATOM 0 HD3 ARG A 57 14.339 11.658 6.903 1.00 0.00 H new ATOM 0 HE ARG A 57 13.236 14.198 7.528 1.00 0.00 H new ATOM 0 HH11 ARG A 57 14.355 11.271 9.156 1.00 0.00 H new ATOM 0 HH12 ARG A 57 14.843 12.133 10.620 1.00 0.00 H new ATOM 0 HH21 ARG A 57 13.866 15.298 9.411 1.00 0.00 H new ATOM 0 HH22 ARG A 57 14.567 14.403 10.764 1.00 0.00 H new ATOM 861 N LYS A 58 10.354 11.325 3.265 1.00 0.00 N ATOM 862 CA LYS A 58 10.577 10.987 1.864 1.00 0.00 C ATOM 863 C LYS A 58 12.065 10.813 1.577 1.00 0.00 C ATOM 864 O LYS A 58 12.524 9.711 1.279 1.00 0.00 O ATOM 865 CB LYS A 58 9.994 12.073 0.957 1.00 0.00 C ATOM 866 CG LYS A 58 9.947 11.680 -0.509 1.00 0.00 C ATOM 867 CD LYS A 58 9.081 10.451 -0.730 1.00 0.00 C ATOM 868 CE LYS A 58 8.979 10.099 -2.206 1.00 0.00 C ATOM 869 NZ LYS A 58 10.315 9.831 -2.806 1.00 0.00 N ATOM 0 H LYS A 58 9.805 12.172 3.412 1.00 0.00 H new ATOM 0 HA LYS A 58 10.073 10.043 1.659 1.00 0.00 H new ATOM 0 HB2 LYS A 58 8.985 12.312 1.293 1.00 0.00 H new ATOM 0 HB3 LYS A 58 10.589 12.980 1.062 1.00 0.00 H new ATOM 0 HG2 LYS A 58 9.557 12.511 -1.097 1.00 0.00 H new ATOM 0 HG3 LYS A 58 10.958 11.483 -0.866 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.499 9.607 -0.182 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.084 10.630 -0.328 1.00 0.00 H new ATOM 0 HE2 LYS A 58 8.344 9.221 -2.327 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.498 10.917 -2.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 10.216 9.144 -3.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 10.713 10.717 -3.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 10.951 9.445 -2.079 1.00 0.00 H new ATOM 883 N SER A 59 12.812 11.908 1.669 1.00 0.00 N ATOM 884 CA SER A 59 14.248 11.876 1.416 1.00 0.00 C ATOM 885 C SER A 59 14.863 10.580 1.934 1.00 0.00 C ATOM 886 O SER A 59 15.711 9.976 1.278 1.00 0.00 O ATOM 887 CB SER A 59 14.930 13.077 2.076 1.00 0.00 C ATOM 888 OG SER A 59 14.521 13.217 3.426 1.00 0.00 O ATOM 0 H SER A 59 12.447 12.828 1.917 1.00 0.00 H new ATOM 0 HA SER A 59 14.403 11.925 0.338 1.00 0.00 H new ATOM 0 HB2 SER A 59 16.012 12.955 2.031 1.00 0.00 H new ATOM 0 HB3 SER A 59 14.689 13.985 1.524 1.00 0.00 H new ATOM 0 HG SER A 59 14.972 13.990 3.826 1.00 0.00 H new ATOM 894 N ASP A 60 14.428 10.158 3.117 1.00 0.00 N ATOM 895 CA ASP A 60 14.934 8.932 3.724 1.00 0.00 C ATOM 896 C ASP A 60 14.575 7.717 2.876 1.00 0.00 C ATOM 897 O ASP A 60 15.401 6.828 2.663 1.00 0.00 O ATOM 898 CB ASP A 60 14.371 8.768 5.137 1.00 0.00 C ATOM 899 CG ASP A 60 15.253 9.410 6.190 1.00 0.00 C ATOM 900 OD1 ASP A 60 15.884 10.443 5.886 1.00 0.00 O ATOM 901 OD2 ASP A 60 15.310 8.879 7.318 1.00 0.00 O ATOM 0 H ASP A 60 13.727 10.646 3.674 1.00 0.00 H new ATOM 0 HA ASP A 60 16.020 9.005 3.780 1.00 0.00 H new ATOM 0 HB2 ASP A 60 13.376 9.210 5.182 1.00 0.00 H new ATOM 0 HB3 ASP A 60 14.259 7.707 5.359 1.00 0.00 H new ATOM 906 N LEU A 61 13.337 7.683 2.394 1.00 0.00 N ATOM 907 CA LEU A 61 12.867 6.575 1.568 1.00 0.00 C ATOM 908 C LEU A 61 13.949 6.128 0.591 1.00 0.00 C ATOM 909 O LEU A 61 14.301 4.950 0.535 1.00 0.00 O ATOM 910 CB LEU A 61 11.608 6.983 0.801 1.00 0.00 C ATOM 911 CG LEU A 61 11.073 5.961 -0.202 1.00 0.00 C ATOM 912 CD1 LEU A 61 10.616 4.700 0.513 1.00 0.00 C ATOM 913 CD2 LEU A 61 9.933 6.559 -1.015 1.00 0.00 C ATOM 0 H LEU A 61 12.641 8.409 2.561 1.00 0.00 H new ATOM 0 HA LEU A 61 12.629 5.739 2.226 1.00 0.00 H new ATOM 0 HB2 LEU A 61 10.821 7.200 1.523 1.00 0.00 H new ATOM 0 HB3 LEU A 61 11.816 7.911 0.268 1.00 0.00 H new ATOM 0 HG LEU A 61 11.879 5.694 -0.885 1.00 0.00 H new ATOM 0 HD11 LEU A 61 10.238 3.984 -0.217 1.00 0.00 H new ATOM 0 HD12 LEU A 61 11.457 4.261 1.050 1.00 0.00 H new ATOM 0 HD13 LEU A 61 9.824 4.949 1.220 1.00 0.00 H new ATOM 0 HD21 LEU A 61 9.564 5.818 -1.724 1.00 0.00 H new ATOM 0 HD22 LEU A 61 9.125 6.855 -0.346 1.00 0.00 H new ATOM 0 HD23 LEU A 61 10.293 7.433 -1.558 1.00 0.00 H new ATOM 925 N GLY A 62 14.476 7.077 -0.177 1.00 0.00 N ATOM 926 CA GLY A 62 15.514 6.761 -1.141 1.00 0.00 C ATOM 927 C GLY A 62 16.591 5.866 -0.560 1.00 0.00 C ATOM 928 O GLY A 62 16.837 4.770 -1.064 1.00 0.00 O ATOM 0 H GLY A 62 14.202 8.059 -0.149 1.00 0.00 H new ATOM 0 HA2 GLY A 62 15.066 6.271 -2.005 1.00 0.00 H new ATOM 0 HA3 GLY A 62 15.968 7.686 -1.498 1.00 0.00 H new ATOM 932 N VAL A 63 17.237 6.334 0.503 1.00 0.00 N ATOM 933 CA VAL A 63 18.295 5.570 1.153 1.00 0.00 C ATOM 934 C VAL A 63 17.919 4.096 1.265 1.00 0.00 C ATOM 935 O VAL A 63 18.733 3.214 0.992 1.00 0.00 O ATOM 936 CB VAL A 63 18.601 6.118 2.560 1.00 0.00 C ATOM 937 CG1 VAL A 63 19.649 5.259 3.251 1.00 0.00 C ATOM 938 CG2 VAL A 63 19.056 7.567 2.479 1.00 0.00 C ATOM 0 H VAL A 63 17.046 7.239 0.933 1.00 0.00 H new ATOM 0 HA VAL A 63 19.185 5.670 0.531 1.00 0.00 H new ATOM 0 HB VAL A 63 17.687 6.081 3.153 1.00 0.00 H new ATOM 0 HG11 VAL A 63 19.852 5.661 4.243 1.00 0.00 H new ATOM 0 HG12 VAL A 63 19.280 4.238 3.342 1.00 0.00 H new ATOM 0 HG13 VAL A 63 20.567 5.262 2.663 1.00 0.00 H new ATOM 0 HG21 VAL A 63 19.268 7.938 3.482 1.00 0.00 H new ATOM 0 HG22 VAL A 63 19.958 7.632 1.870 1.00 0.00 H new ATOM 0 HG23 VAL A 63 18.269 8.171 2.027 1.00 0.00 H new ATOM 948 N HIS A 64 16.678 3.837 1.667 1.00 0.00 N ATOM 949 CA HIS A 64 16.193 2.470 1.814 1.00 0.00 C ATOM 950 C HIS A 64 16.080 1.784 0.455 1.00 0.00 C ATOM 951 O HIS A 64 16.291 0.576 0.338 1.00 0.00 O ATOM 952 CB HIS A 64 14.835 2.461 2.517 1.00 0.00 C ATOM 953 CG HIS A 64 14.103 1.161 2.389 1.00 0.00 C ATOM 954 ND1 HIS A 64 14.467 0.021 3.075 1.00 0.00 N ATOM 955 CD2 HIS A 64 13.020 0.823 1.651 1.00 0.00 C ATOM 956 CE1 HIS A 64 13.641 -0.961 2.763 1.00 0.00 C ATOM 957 NE2 HIS A 64 12.753 -0.501 1.900 1.00 0.00 N ATOM 0 H HIS A 64 15.991 4.555 1.896 1.00 0.00 H new ATOM 0 HA HIS A 64 16.912 1.919 2.421 1.00 0.00 H new ATOM 0 HB2 HIS A 64 14.981 2.684 3.574 1.00 0.00 H new ATOM 0 HB3 HIS A 64 14.217 3.259 2.105 1.00 0.00 H new ATOM 0 HD1 HIS A 64 15.252 -0.052 3.722 1.00 0.00 H new ATOM 0 HD2 HIS A 64 12.468 1.474 0.989 1.00 0.00 H new ATOM 0 HE1 HIS A 64 13.684 -1.969 3.148 1.00 0.00 H new ATOM 965 N LEU A 65 15.745 2.562 -0.568 1.00 0.00 N ATOM 966 CA LEU A 65 15.603 2.030 -1.919 1.00 0.00 C ATOM 967 C LEU A 65 16.967 1.727 -2.531 1.00 0.00 C ATOM 968 O LEU A 65 17.091 0.863 -3.399 1.00 0.00 O ATOM 969 CB LEU A 65 14.845 3.023 -2.802 1.00 0.00 C ATOM 970 CG LEU A 65 13.322 3.017 -2.663 1.00 0.00 C ATOM 971 CD1 LEU A 65 12.706 4.128 -3.499 1.00 0.00 C ATOM 972 CD2 LEU A 65 12.754 1.664 -3.068 1.00 0.00 C ATOM 0 H LEU A 65 15.567 3.563 -0.488 1.00 0.00 H new ATOM 0 HA LEU A 65 15.037 1.100 -1.859 1.00 0.00 H new ATOM 0 HB2 LEU A 65 15.206 4.027 -2.579 1.00 0.00 H new ATOM 0 HB3 LEU A 65 15.096 2.818 -3.843 1.00 0.00 H new ATOM 0 HG LEU A 65 13.071 3.195 -1.617 1.00 0.00 H new ATOM 0 HD11 LEU A 65 11.622 4.109 -3.388 1.00 0.00 H new ATOM 0 HD12 LEU A 65 13.088 5.092 -3.162 1.00 0.00 H new ATOM 0 HD13 LEU A 65 12.966 3.981 -4.547 1.00 0.00 H new ATOM 0 HD21 LEU A 65 11.669 1.679 -2.963 1.00 0.00 H new ATOM 0 HD22 LEU A 65 13.015 1.456 -4.106 1.00 0.00 H new ATOM 0 HD23 LEU A 65 13.171 0.888 -2.426 1.00 0.00 H new ATOM 984 N ARG A 66 17.989 2.442 -2.070 1.00 0.00 N ATOM 985 CA ARG A 66 19.344 2.249 -2.572 1.00 0.00 C ATOM 986 C ARG A 66 20.068 1.166 -1.777 1.00 0.00 C ATOM 987 O ARG A 66 20.800 0.352 -2.340 1.00 0.00 O ATOM 988 CB ARG A 66 20.129 3.560 -2.500 1.00 0.00 C ATOM 989 CG ARG A 66 19.529 4.675 -3.341 1.00 0.00 C ATOM 990 CD ARG A 66 20.096 6.032 -2.953 1.00 0.00 C ATOM 991 NE ARG A 66 21.443 6.234 -3.481 1.00 0.00 N ATOM 992 CZ ARG A 66 21.971 7.431 -3.709 1.00 0.00 C ATOM 993 NH1 ARG A 66 21.270 8.527 -3.456 1.00 0.00 N ATOM 994 NH2 ARG A 66 23.203 7.533 -4.191 1.00 0.00 N ATOM 0 H ARG A 66 17.904 3.160 -1.350 1.00 0.00 H new ATOM 0 HA ARG A 66 19.278 1.930 -3.612 1.00 0.00 H new ATOM 0 HB2 ARG A 66 20.180 3.887 -1.461 1.00 0.00 H new ATOM 0 HB3 ARG A 66 21.153 3.379 -2.828 1.00 0.00 H new ATOM 0 HG2 ARG A 66 19.728 4.484 -4.396 1.00 0.00 H new ATOM 0 HG3 ARG A 66 18.446 4.683 -3.217 1.00 0.00 H new ATOM 0 HD2 ARG A 66 19.439 6.819 -3.324 1.00 0.00 H new ATOM 0 HD3 ARG A 66 20.116 6.119 -1.867 1.00 0.00 H new ATOM 0 HE ARG A 66 22.009 5.411 -3.686 1.00 0.00 H new ATOM 0 HH11 ARG A 66 20.323 8.452 -3.085 1.00 0.00 H new ATOM 0 HH12 ARG A 66 21.678 9.445 -3.632 1.00 0.00 H new ATOM 0 HH21 ARG A 66 23.745 6.692 -4.387 1.00 0.00 H new ATOM 0 HH22 ARG A 66 23.608 8.453 -4.366 1.00 0.00 H new ATOM 1008 N LYS A 67 19.859 1.163 -0.465 1.00 0.00 N ATOM 1009 CA LYS A 67 20.491 0.181 0.409 1.00 0.00 C ATOM 1010 C LYS A 67 19.811 -1.179 0.280 1.00 0.00 C ATOM 1011 O LYS A 67 20.357 -2.099 -0.328 1.00 0.00 O ATOM 1012 CB LYS A 67 20.438 0.653 1.863 1.00 0.00 C ATOM 1013 CG LYS A 67 21.655 1.459 2.286 1.00 0.00 C ATOM 1014 CD LYS A 67 21.743 2.774 1.530 1.00 0.00 C ATOM 1015 CE LYS A 67 23.188 3.197 1.313 1.00 0.00 C ATOM 1016 NZ LYS A 67 23.814 2.468 0.175 1.00 0.00 N ATOM 0 H LYS A 67 19.256 1.830 0.017 1.00 0.00 H new ATOM 0 HA LYS A 67 21.533 0.078 0.105 1.00 0.00 H new ATOM 0 HB2 LYS A 67 19.543 1.259 2.007 1.00 0.00 H new ATOM 0 HB3 LYS A 67 20.343 -0.215 2.515 1.00 0.00 H new ATOM 0 HG2 LYS A 67 21.608 1.656 3.357 1.00 0.00 H new ATOM 0 HG3 LYS A 67 22.558 0.875 2.109 1.00 0.00 H new ATOM 0 HD2 LYS A 67 21.243 2.675 0.566 1.00 0.00 H new ATOM 0 HD3 LYS A 67 21.215 3.550 2.085 1.00 0.00 H new ATOM 0 HE2 LYS A 67 23.228 4.270 1.123 1.00 0.00 H new ATOM 0 HE3 LYS A 67 23.761 3.013 2.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 24.798 2.784 0.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 23.799 1.446 0.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 23.283 2.664 -0.697 1.00 0.00 H new ATOM 1030 N GLN A 68 18.618 -1.295 0.854 1.00 0.00 N ATOM 1031 CA GLN A 68 17.865 -2.543 0.802 1.00 0.00 C ATOM 1032 C GLN A 68 17.644 -2.985 -0.641 1.00 0.00 C ATOM 1033 O GLN A 68 17.858 -4.149 -0.984 1.00 0.00 O ATOM 1034 CB GLN A 68 16.518 -2.380 1.509 1.00 0.00 C ATOM 1035 CG GLN A 68 16.603 -2.528 3.019 1.00 0.00 C ATOM 1036 CD GLN A 68 16.408 -3.960 3.477 1.00 0.00 C ATOM 1037 OE1 GLN A 68 17.298 -4.557 4.084 1.00 0.00 O ATOM 1038 NE2 GLN A 68 15.239 -4.520 3.188 1.00 0.00 N ATOM 0 H GLN A 68 18.152 -0.541 1.360 1.00 0.00 H new ATOM 0 HA GLN A 68 18.446 -3.310 1.314 1.00 0.00 H new ATOM 0 HB2 GLN A 68 16.108 -1.398 1.271 1.00 0.00 H new ATOM 0 HB3 GLN A 68 15.820 -3.120 1.118 1.00 0.00 H new ATOM 0 HG2 GLN A 68 17.574 -2.170 3.361 1.00 0.00 H new ATOM 0 HG3 GLN A 68 15.848 -1.895 3.485 1.00 0.00 H new ATOM 0 HE21 GLN A 68 14.530 -3.988 2.683 1.00 0.00 H new ATOM 0 HE22 GLN A 68 15.050 -5.482 3.471 1.00 0.00 H new ATOM 1047 N HIS A 69 17.215 -2.051 -1.483 1.00 0.00 N ATOM 1048 CA HIS A 69 16.965 -2.345 -2.890 1.00 0.00 C ATOM 1049 C HIS A 69 18.057 -1.746 -3.772 1.00 0.00 C ATOM 1050 O HIS A 69 18.922 -1.013 -3.293 1.00 0.00 O ATOM 1051 CB HIS A 69 15.599 -1.803 -3.311 1.00 0.00 C ATOM 1052 CG HIS A 69 14.461 -2.364 -2.515 1.00 0.00 C ATOM 1053 ND1 HIS A 69 14.045 -3.675 -2.616 1.00 0.00 N ATOM 1054 CD2 HIS A 69 13.651 -1.784 -1.599 1.00 0.00 C ATOM 1055 CE1 HIS A 69 13.028 -3.877 -1.798 1.00 0.00 C ATOM 1056 NE2 HIS A 69 12.769 -2.745 -1.168 1.00 0.00 N ATOM 0 H HIS A 69 17.033 -1.084 -1.216 1.00 0.00 H new ATOM 0 HA HIS A 69 16.973 -3.428 -3.017 1.00 0.00 H new ATOM 0 HB2 HIS A 69 15.601 -0.718 -3.211 1.00 0.00 H new ATOM 0 HB3 HIS A 69 15.438 -2.026 -4.366 1.00 0.00 H new ATOM 0 HD1 HIS A 69 14.458 -4.379 -3.227 1.00 0.00 H new ATOM 0 HD2 HIS A 69 13.691 -0.757 -1.268 1.00 0.00 H new ATOM 0 HE1 HIS A 69 12.498 -4.809 -1.666 1.00 0.00 H new ATOM 1064 N SER A 70 18.010 -2.065 -5.061 1.00 0.00 N ATOM 1065 CA SER A 70 18.997 -1.562 -6.009 1.00 0.00 C ATOM 1066 C SER A 70 18.354 -0.605 -7.008 1.00 0.00 C ATOM 1067 O SER A 70 17.666 -1.028 -7.937 1.00 0.00 O ATOM 1068 CB SER A 70 19.659 -2.724 -6.753 1.00 0.00 C ATOM 1069 OG SER A 70 20.711 -2.265 -7.584 1.00 0.00 O ATOM 0 H SER A 70 17.299 -2.669 -5.473 1.00 0.00 H new ATOM 0 HA SER A 70 19.757 -1.018 -5.449 1.00 0.00 H new ATOM 0 HB2 SER A 70 20.048 -3.446 -6.034 1.00 0.00 H new ATOM 0 HB3 SER A 70 18.915 -3.244 -7.357 1.00 0.00 H new ATOM 0 HG SER A 70 21.118 -3.027 -8.047 1.00 0.00 H new ATOM 1075 N TYR A 71 18.582 0.689 -6.808 1.00 0.00 N ATOM 1076 CA TYR A 71 18.023 1.708 -7.689 1.00 0.00 C ATOM 1077 C TYR A 71 19.075 2.752 -8.050 1.00 0.00 C ATOM 1078 O TYR A 71 18.784 3.946 -8.117 1.00 0.00 O ATOM 1079 CB TYR A 71 16.824 2.385 -7.023 1.00 0.00 C ATOM 1080 CG TYR A 71 15.499 1.743 -7.367 1.00 0.00 C ATOM 1081 CD1 TYR A 71 15.130 1.532 -8.690 1.00 0.00 C ATOM 1082 CD2 TYR A 71 14.615 1.349 -6.370 1.00 0.00 C ATOM 1083 CE1 TYR A 71 13.920 0.947 -9.010 1.00 0.00 C ATOM 1084 CE2 TYR A 71 13.404 0.762 -6.680 1.00 0.00 C ATOM 1085 CZ TYR A 71 13.061 0.563 -8.001 1.00 0.00 C ATOM 1086 OH TYR A 71 11.854 -0.021 -8.314 1.00 0.00 O ATOM 0 H TYR A 71 19.149 1.057 -6.044 1.00 0.00 H new ATOM 0 HA TYR A 71 17.693 1.219 -8.606 1.00 0.00 H new ATOM 0 HB2 TYR A 71 16.959 2.363 -5.942 1.00 0.00 H new ATOM 0 HB3 TYR A 71 16.798 3.434 -7.320 1.00 0.00 H new ATOM 0 HD1 TYR A 71 15.801 1.831 -9.482 1.00 0.00 H new ATOM 0 HD2 TYR A 71 14.880 1.505 -5.335 1.00 0.00 H new ATOM 0 HE1 TYR A 71 13.648 0.791 -10.044 1.00 0.00 H new ATOM 0 HE2 TYR A 71 12.729 0.460 -5.892 1.00 0.00 H new ATOM 0 HH TYR A 71 11.745 -0.845 -7.795 1.00 0.00 H new ATOM 1096 N SER A 72 20.301 2.293 -8.281 1.00 0.00 N ATOM 1097 CA SER A 72 21.399 3.186 -8.633 1.00 0.00 C ATOM 1098 C SER A 72 22.474 2.442 -9.418 1.00 0.00 C ATOM 1099 O SER A 72 22.616 1.226 -9.300 1.00 0.00 O ATOM 1100 CB SER A 72 22.007 3.802 -7.371 1.00 0.00 C ATOM 1101 OG SER A 72 21.273 4.941 -6.955 1.00 0.00 O ATOM 0 H SER A 72 20.559 1.307 -8.231 1.00 0.00 H new ATOM 0 HA SER A 72 21.000 3.982 -9.262 1.00 0.00 H new ATOM 0 HB2 SER A 72 22.020 3.062 -6.571 1.00 0.00 H new ATOM 0 HB3 SER A 72 23.043 4.083 -7.562 1.00 0.00 H new ATOM 0 HG SER A 72 20.344 4.859 -7.256 1.00 0.00 H new ATOM 1107 N GLY A 73 23.230 3.184 -10.222 1.00 0.00 N ATOM 1108 CA GLY A 73 24.284 2.579 -11.016 1.00 0.00 C ATOM 1109 C GLY A 73 24.928 3.564 -11.971 1.00 0.00 C ATOM 1110 O GLY A 73 24.548 3.670 -13.138 1.00 0.00 O ATOM 0 H GLY A 73 23.131 4.193 -10.338 1.00 0.00 H new ATOM 0 HA2 GLY A 73 25.046 2.170 -10.352 1.00 0.00 H new ATOM 0 HA3 GLY A 73 23.874 1.743 -11.583 1.00 0.00 H new ATOM 1114 N PRO A 74 25.928 4.308 -11.475 1.00 0.00 N ATOM 1115 CA PRO A 74 26.647 5.304 -12.275 1.00 0.00 C ATOM 1116 C PRO A 74 27.524 4.663 -13.345 1.00 0.00 C ATOM 1117 O PRO A 74 27.600 5.151 -14.473 1.00 0.00 O ATOM 1118 CB PRO A 74 27.509 6.033 -11.242 1.00 0.00 C ATOM 1119 CG PRO A 74 27.697 5.048 -10.141 1.00 0.00 C ATOM 1120 CD PRO A 74 26.433 4.234 -10.093 1.00 0.00 C ATOM 0 HA PRO A 74 25.967 5.958 -12.820 1.00 0.00 H new ATOM 0 HB2 PRO A 74 28.465 6.337 -11.668 1.00 0.00 H new ATOM 0 HB3 PRO A 74 27.017 6.938 -10.884 1.00 0.00 H new ATOM 0 HG2 PRO A 74 28.563 4.413 -10.329 1.00 0.00 H new ATOM 0 HG3 PRO A 74 27.872 5.553 -9.191 1.00 0.00 H new ATOM 0 HD2 PRO A 74 26.629 3.205 -9.791 1.00 0.00 H new ATOM 0 HD3 PRO A 74 25.717 4.645 -9.381 1.00 0.00 H new ATOM 1128 N SER A 75 28.185 3.568 -12.984 1.00 0.00 N ATOM 1129 CA SER A 75 29.061 2.863 -13.913 1.00 0.00 C ATOM 1130 C SER A 75 28.247 2.063 -14.925 1.00 0.00 C ATOM 1131 O SER A 75 27.499 1.155 -14.560 1.00 0.00 O ATOM 1132 CB SER A 75 30.004 1.931 -13.149 1.00 0.00 C ATOM 1133 OG SER A 75 30.986 1.382 -14.011 1.00 0.00 O ATOM 0 H SER A 75 28.131 3.150 -12.055 1.00 0.00 H new ATOM 0 HA SER A 75 29.651 3.604 -14.452 1.00 0.00 H new ATOM 0 HB2 SER A 75 30.490 2.481 -12.343 1.00 0.00 H new ATOM 0 HB3 SER A 75 29.431 1.127 -12.687 1.00 0.00 H new ATOM 0 HG SER A 75 31.577 0.791 -13.499 1.00 0.00 H new ATOM 1139 N SER A 76 28.398 2.407 -16.200 1.00 0.00 N ATOM 1140 CA SER A 76 27.674 1.725 -17.267 1.00 0.00 C ATOM 1141 C SER A 76 28.643 1.081 -18.254 1.00 0.00 C ATOM 1142 O SER A 76 29.799 1.486 -18.361 1.00 0.00 O ATOM 1143 CB SER A 76 26.758 2.706 -18.000 1.00 0.00 C ATOM 1144 OG SER A 76 25.789 3.252 -17.122 1.00 0.00 O ATOM 0 H SER A 76 29.015 3.154 -16.519 1.00 0.00 H new ATOM 0 HA SER A 76 27.066 0.941 -16.816 1.00 0.00 H new ATOM 0 HB2 SER A 76 27.353 3.509 -18.434 1.00 0.00 H new ATOM 0 HB3 SER A 76 26.260 2.196 -18.825 1.00 0.00 H new ATOM 0 HG SER A 76 25.217 3.877 -17.614 1.00 0.00 H new ATOM 1150 N GLY A 77 28.160 0.073 -18.975 1.00 0.00 N ATOM 1151 CA GLY A 77 28.995 -0.612 -19.945 1.00 0.00 C ATOM 1152 C GLY A 77 28.800 -2.115 -19.919 1.00 0.00 C ATOM 1153 O GLY A 77 27.841 -2.605 -20.514 1.00 0.00 O ATOM 0 H GLY A 77 27.206 -0.281 -18.905 1.00 0.00 H new ATOM 0 HA2 GLY A 77 28.770 -0.237 -20.943 1.00 0.00 H new ATOM 0 HA3 GLY A 77 30.042 -0.381 -19.746 1.00 0.00 H new TER 1157 GLY A 77 HETATM 1158 ZN ZN A 201 -4.773 8.690 -2.984 1.00 0.00 ZN HETATM 1159 ZN ZN A 401 11.427 -1.754 0.454 1.00 0.00 ZN