USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 545 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 61 GLN : amide:sc= -0.0469 K(o=0.11,f=-0.43) USER MOD Set 1.2: A 66 SER OG : rot 54:sc= 0.152 USER MOD Set 2.1: A 7 SER OG : rot -81:sc= 2.41 USER MOD Set 2.2: A 43 LYS NZ :NH3+ -179:sc= 1.15 (180deg=0) USER MOD Single : A 2 SER OG : rot 38:sc= 0.183 USER MOD Single : A 4 THR OG1 : rot 81:sc= 1.29 USER MOD Single : A 6 TYR OH : rot 131:sc= 1.19 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot -1:sc= 0.341 USER MOD Single : A 13 MET CE :methyl -137:sc= -0.0964 (180deg=-0.12) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0.047) USER MOD Single : A 28 GLN : amide:sc= -0.334 X(o=-0.33,f=-0.014) USER MOD Single : A 33 ASN : amide:sc= 0.41 K(o=0.41,f=-0.2) USER MOD Single : A 34 GLN : amide:sc= 1 K(o=1,f=-0.1) USER MOD Single : A 36 GLN : amide:sc= -0.0457 X(o=-0.046,f=0) USER MOD Single : A 41 THR OG1 : rot -160:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -1.14 K(o=-1.1,f=-0.61) USER MOD Single : A 55 GLN : amide:sc= -0.0488 K(o=-0.049,f=-0.7) USER MOD Single : A 58 SER OG : rot 93:sc= 1.19 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0.355 X(o=0.36,f=-0.069) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 -1.804 0.722 20.162 1.00 3.50 N ATOM 2 CA SER A 2 -1.532 -0.235 19.091 1.00 3.01 C ATOM 3 C SER A 2 -0.486 0.350 18.119 1.00 1.75 C ATOM 4 O SER A 2 0.159 1.345 18.451 1.00 2.78 O ATOM 5 CB SER A 2 -2.857 -0.627 18.423 1.00 4.89 C ATOM 6 OG SER A 2 -3.748 -1.128 19.404 1.00 6.35 O ATOM 0 HA SER A 2 -1.094 -1.153 19.483 1.00 3.01 H new ATOM 0 HB2 SER A 2 -3.296 0.238 17.925 1.00 4.89 H new ATOM 0 HB3 SER A 2 -2.681 -1.381 17.656 1.00 4.89 H new ATOM 0 HG SER A 2 -3.646 -0.613 20.232 1.00 6.35 H new ATOM 12 N GLY A 3 -0.299 -0.252 16.941 1.00 1.14 N ATOM 13 CA GLY A 3 0.733 0.115 15.984 1.00 1.61 C ATOM 14 C GLY A 3 1.254 -1.140 15.282 1.00 1.61 C ATOM 15 O GLY A 3 2.325 -1.639 15.624 1.00 2.26 O ATOM 0 H GLY A 3 -0.880 -1.028 16.624 1.00 1.14 H new ATOM 0 HA2 GLY A 3 0.330 0.813 15.250 1.00 1.61 H new ATOM 0 HA3 GLY A 3 1.551 0.624 16.494 1.00 1.61 H new ATOM 19 N THR A 4 0.491 -1.662 14.318 1.00 1.00 N ATOM 20 CA THR A 4 0.756 -2.927 13.648 1.00 0.74 C ATOM 21 C THR A 4 1.196 -2.634 12.223 1.00 0.56 C ATOM 22 O THR A 4 0.379 -2.243 11.388 1.00 0.79 O ATOM 23 CB THR A 4 -0.487 -3.828 13.650 1.00 0.95 C ATOM 24 OG1 THR A 4 -1.210 -3.653 14.846 1.00 1.46 O ATOM 25 CG2 THR A 4 -0.068 -5.295 13.516 1.00 1.17 C ATOM 0 H THR A 4 -0.351 -1.199 13.976 1.00 1.00 H new ATOM 0 HA THR A 4 1.543 -3.459 14.182 1.00 0.74 H new ATOM 0 HB THR A 4 -1.120 -3.554 12.806 1.00 0.95 H new ATOM 0 HG1 THR A 4 -1.758 -2.843 14.781 1.00 1.46 H new ATOM 0 HG21 THR A 4 -0.955 -5.928 13.518 1.00 1.17 H new ATOM 0 HG22 THR A 4 0.475 -5.434 12.581 1.00 1.17 H new ATOM 0 HG23 THR A 4 0.575 -5.568 14.353 1.00 1.17 H new ATOM 33 N ARG A 5 2.483 -2.844 11.949 1.00 0.51 N ATOM 34 CA ARG A 5 3.082 -2.409 10.708 1.00 0.47 C ATOM 35 C ARG A 5 3.079 -3.564 9.721 1.00 0.41 C ATOM 36 O ARG A 5 3.762 -4.568 9.905 1.00 0.64 O ATOM 37 CB ARG A 5 4.497 -1.889 10.971 1.00 0.65 C ATOM 38 CG ARG A 5 5.092 -1.254 9.709 1.00 0.99 C ATOM 39 CD ARG A 5 5.743 -2.237 8.712 1.00 0.79 C ATOM 40 NE ARG A 5 6.793 -3.068 9.330 1.00 0.81 N ATOM 41 CZ ARG A 5 8.059 -2.679 9.563 1.00 1.29 C ATOM 42 NH1 ARG A 5 8.431 -1.433 9.254 1.00 2.79 N ATOM 43 NH2 ARG A 5 8.947 -3.528 10.095 1.00 1.50 N ATOM 0 H ARG A 5 3.128 -3.318 12.582 1.00 0.51 H new ATOM 0 HA ARG A 5 2.506 -1.591 10.276 1.00 0.47 H new ATOM 0 HB2 ARG A 5 4.475 -1.155 11.776 1.00 0.65 H new ATOM 0 HB3 ARG A 5 5.133 -2.709 11.305 1.00 0.65 H new ATOM 0 HG2 ARG A 5 4.303 -0.709 9.191 1.00 0.99 H new ATOM 0 HG3 ARG A 5 5.841 -0.521 10.011 1.00 0.99 H new ATOM 0 HD2 ARG A 5 4.973 -2.885 8.293 1.00 0.79 H new ATOM 0 HD3 ARG A 5 6.172 -1.675 7.883 1.00 0.79 H new ATOM 0 HE ARG A 5 6.538 -4.017 9.603 1.00 0.81 H new ATOM 0 HH11 ARG A 5 7.757 -0.786 8.845 1.00 2.79 H new ATOM 0 HH12 ARG A 5 9.389 -1.129 9.427 1.00 2.79 H new ATOM 0 HH21 ARG A 5 8.666 -4.480 10.328 1.00 1.50 H new ATOM 0 HH22 ARG A 5 9.905 -3.222 10.268 1.00 1.50 H new ATOM 57 N TYR A 6 2.340 -3.388 8.635 1.00 0.35 N ATOM 58 CA TYR A 6 2.302 -4.288 7.497 1.00 0.29 C ATOM 59 C TYR A 6 3.127 -3.716 6.336 1.00 0.34 C ATOM 60 O TYR A 6 3.362 -2.507 6.296 1.00 0.61 O ATOM 61 CB TYR A 6 0.843 -4.424 7.094 1.00 0.35 C ATOM 62 CG TYR A 6 -0.140 -4.635 8.226 1.00 0.50 C ATOM 63 CD1 TYR A 6 0.108 -5.584 9.236 1.00 1.77 C ATOM 64 CD2 TYR A 6 -1.367 -3.953 8.193 1.00 1.90 C ATOM 65 CE1 TYR A 6 -0.877 -5.849 10.203 1.00 1.87 C ATOM 66 CE2 TYR A 6 -2.350 -4.231 9.149 1.00 1.97 C ATOM 67 CZ TYR A 6 -2.071 -5.111 10.205 1.00 1.00 C ATOM 68 OH TYR A 6 -2.938 -5.231 11.244 1.00 1.50 O ATOM 0 H TYR A 6 1.727 -2.581 8.521 1.00 0.35 H new ATOM 0 HA TYR A 6 2.728 -5.258 7.752 1.00 0.29 H new ATOM 0 HB2 TYR A 6 0.552 -3.526 6.549 1.00 0.35 H new ATOM 0 HB3 TYR A 6 0.754 -5.261 6.401 1.00 0.35 H new ATOM 0 HD1 TYR A 6 1.052 -6.107 9.268 1.00 1.77 H new ATOM 0 HD2 TYR A 6 -1.552 -3.213 7.429 1.00 1.90 H new ATOM 0 HE1 TYR A 6 -0.716 -6.619 10.943 1.00 1.87 H new ATOM 0 HE2 TYR A 6 -3.323 -3.768 9.074 1.00 1.97 H new ATOM 0 HH TYR A 6 -3.193 -4.340 11.562 1.00 1.50 H new ATOM 78 N SER A 7 3.570 -4.561 5.396 1.00 0.25 N ATOM 79 CA SER A 7 4.378 -4.161 4.245 1.00 0.22 C ATOM 80 C SER A 7 3.986 -4.999 3.032 1.00 0.19 C ATOM 81 O SER A 7 3.548 -6.137 3.194 1.00 0.25 O ATOM 82 CB SER A 7 5.868 -4.325 4.608 1.00 0.31 C ATOM 83 OG SER A 7 6.749 -3.749 3.656 1.00 1.52 O ATOM 0 H SER A 7 3.371 -5.561 5.418 1.00 0.25 H new ATOM 0 HA SER A 7 4.202 -3.116 3.989 1.00 0.22 H new ATOM 0 HB2 SER A 7 6.049 -3.869 5.581 1.00 0.31 H new ATOM 0 HB3 SER A 7 6.095 -5.387 4.706 1.00 0.31 H new ATOM 0 HG SER A 7 6.870 -4.368 2.906 1.00 1.52 H new ATOM 89 N TRP A 8 4.124 -4.416 1.835 1.00 0.15 N ATOM 90 CA TRP A 8 3.956 -5.089 0.556 1.00 0.17 C ATOM 91 C TRP A 8 5.126 -4.734 -0.352 1.00 0.18 C ATOM 92 O TRP A 8 5.556 -3.580 -0.380 1.00 0.18 O ATOM 93 CB TRP A 8 2.608 -4.745 -0.086 1.00 0.22 C ATOM 94 CG TRP A 8 1.465 -5.148 0.785 1.00 0.22 C ATOM 95 CD1 TRP A 8 1.085 -6.423 0.994 1.00 0.38 C ATOM 96 CD2 TRP A 8 0.703 -4.423 1.783 1.00 0.22 C ATOM 97 NE1 TRP A 8 0.348 -6.477 2.169 1.00 0.31 N ATOM 98 CE2 TRP A 8 0.532 -5.289 2.877 1.00 0.27 C ATOM 99 CE3 TRP A 8 0.139 -3.160 2.012 1.00 0.25 C ATOM 100 CZ2 TRP A 8 0.252 -4.677 4.131 1.00 0.32 C ATOM 101 CZ3 TRP A 8 -0.963 -3.148 2.907 1.00 0.28 C ATOM 102 CH2 TRP A 8 -0.715 -3.671 4.148 1.00 0.30 C ATOM 0 H TRP A 8 4.364 -3.430 1.735 1.00 0.15 H new ATOM 0 HA TRP A 8 3.951 -6.167 0.716 1.00 0.17 H new ATOM 0 HB2 TRP A 8 2.559 -3.673 -0.278 1.00 0.22 H new ATOM 0 HB3 TRP A 8 2.525 -5.246 -1.050 1.00 0.22 H new ATOM 0 HD1 TRP A 8 1.315 -7.263 0.355 1.00 0.38 H new ATOM 0 HE1 TRP A 8 -0.235 -7.260 2.467 1.00 0.31 H new ATOM 0 HE3 TRP A 8 0.515 -2.263 1.542 1.00 0.25 H new ATOM 0 HZ2 TRP A 8 0.766 -4.978 5.032 1.00 0.32 H new ATOM 0 HZ3 TRP A 8 -1.929 -2.754 2.629 1.00 0.28 H new ATOM 0 HH2 TRP A 8 -1.215 -3.340 5.046 1.00 0.30 H new ATOM 113 N LYS A 9 5.598 -5.727 -1.105 1.00 0.28 N ATOM 114 CA LYS A 9 6.654 -5.606 -2.099 1.00 0.37 C ATOM 115 C LYS A 9 5.937 -5.479 -3.432 1.00 0.42 C ATOM 116 O LYS A 9 4.987 -6.229 -3.665 1.00 0.50 O ATOM 117 CB LYS A 9 7.575 -6.841 -2.047 1.00 0.51 C ATOM 118 CG LYS A 9 6.822 -8.176 -2.187 1.00 0.82 C ATOM 119 CD LYS A 9 7.660 -9.404 -1.811 1.00 0.80 C ATOM 120 CE LYS A 9 8.374 -10.009 -3.026 1.00 1.34 C ATOM 121 NZ LYS A 9 9.080 -11.254 -2.666 1.00 1.97 N ATOM 0 H LYS A 9 5.236 -6.678 -1.033 1.00 0.28 H new ATOM 0 HA LYS A 9 7.299 -4.745 -1.926 1.00 0.37 H new ATOM 0 HB2 LYS A 9 8.316 -6.766 -2.843 1.00 0.51 H new ATOM 0 HB3 LYS A 9 8.120 -6.838 -1.103 1.00 0.51 H new ATOM 0 HG2 LYS A 9 5.933 -8.148 -1.557 1.00 0.82 H new ATOM 0 HG3 LYS A 9 6.480 -8.283 -3.216 1.00 0.82 H new ATOM 0 HD2 LYS A 9 8.398 -9.122 -1.060 1.00 0.80 H new ATOM 0 HD3 LYS A 9 7.016 -10.157 -1.358 1.00 0.80 H new ATOM 0 HE2 LYS A 9 7.648 -10.214 -3.813 1.00 1.34 H new ATOM 0 HE3 LYS A 9 9.085 -9.288 -3.429 1.00 1.34 H new ATOM 0 HZ1 LYS A 9 9.553 -11.640 -3.508 1.00 1.97 H new ATOM 0 HZ2 LYS A 9 9.789 -11.051 -1.932 1.00 1.97 H new ATOM 0 HZ3 LYS A 9 8.396 -11.949 -2.304 1.00 1.97 H new ATOM 135 N VAL A 10 6.328 -4.511 -4.262 1.00 0.57 N ATOM 136 CA VAL A 10 5.634 -4.212 -5.509 1.00 0.71 C ATOM 137 C VAL A 10 6.521 -4.488 -6.721 1.00 1.07 C ATOM 138 O VAL A 10 7.637 -4.993 -6.598 1.00 2.21 O ATOM 139 CB VAL A 10 4.985 -2.811 -5.472 1.00 0.82 C ATOM 140 CG1 VAL A 10 4.325 -2.538 -4.113 1.00 1.74 C ATOM 141 CG2 VAL A 10 5.979 -1.695 -5.770 1.00 2.52 C ATOM 0 H VAL A 10 7.136 -3.913 -4.086 1.00 0.57 H new ATOM 0 HA VAL A 10 4.795 -4.899 -5.622 1.00 0.71 H new ATOM 0 HB VAL A 10 4.228 -2.815 -6.256 1.00 0.82 H new ATOM 0 HG11 VAL A 10 3.877 -1.544 -4.119 1.00 1.74 H new ATOM 0 HG12 VAL A 10 3.551 -3.283 -3.928 1.00 1.74 H new ATOM 0 HG13 VAL A 10 5.077 -2.592 -3.326 1.00 1.74 H new ATOM 0 HG21 VAL A 10 5.468 -0.733 -5.731 1.00 2.52 H new ATOM 0 HG22 VAL A 10 6.778 -1.712 -5.029 1.00 2.52 H new ATOM 0 HG23 VAL A 10 6.402 -1.841 -6.764 1.00 2.52 H new ATOM 151 N SER A 11 5.995 -4.206 -7.910 1.00 0.51 N ATOM 152 CA SER A 11 6.761 -4.147 -9.143 1.00 0.58 C ATOM 153 C SER A 11 6.106 -3.057 -9.987 1.00 0.50 C ATOM 154 O SER A 11 5.237 -3.347 -10.808 1.00 1.03 O ATOM 155 CB SER A 11 6.772 -5.520 -9.822 1.00 0.86 C ATOM 156 OG SER A 11 7.363 -6.481 -8.964 1.00 2.21 O ATOM 0 H SER A 11 5.003 -4.009 -8.042 1.00 0.51 H new ATOM 0 HA SER A 11 7.810 -3.901 -8.980 1.00 0.58 H new ATOM 0 HB2 SER A 11 5.754 -5.820 -10.071 1.00 0.86 H new ATOM 0 HB3 SER A 11 7.327 -5.467 -10.759 1.00 0.86 H new ATOM 0 HG SER A 11 7.649 -6.046 -8.133 1.00 2.21 H new ATOM 162 N GLY A 12 6.425 -1.798 -9.691 1.00 0.58 N ATOM 163 CA GLY A 12 5.701 -0.620 -10.062 1.00 0.68 C ATOM 164 C GLY A 12 6.015 0.415 -8.983 1.00 1.23 C ATOM 165 O GLY A 12 6.899 0.240 -8.153 1.00 3.22 O ATOM 0 H GLY A 12 7.259 -1.577 -9.146 1.00 0.58 H new ATOM 0 HA2 GLY A 12 6.008 -0.265 -11.046 1.00 0.68 H new ATOM 0 HA3 GLY A 12 4.631 -0.819 -10.114 1.00 0.68 H new ATOM 169 N MET A 13 5.227 1.474 -8.982 1.00 0.67 N ATOM 170 CA MET A 13 5.366 2.644 -8.121 1.00 0.49 C ATOM 171 C MET A 13 6.710 3.346 -8.377 1.00 0.49 C ATOM 172 O MET A 13 7.717 3.130 -7.702 1.00 0.67 O ATOM 173 CB MET A 13 5.116 2.299 -6.641 1.00 0.45 C ATOM 174 CG MET A 13 3.791 2.876 -6.137 1.00 1.35 C ATOM 175 SD MET A 13 3.617 2.960 -4.337 1.00 1.87 S ATOM 176 CE MET A 13 3.609 1.205 -3.927 1.00 2.22 C ATOM 0 H MET A 13 4.429 1.550 -9.613 1.00 0.67 H new ATOM 0 HA MET A 13 4.588 3.362 -8.379 1.00 0.49 H new ATOM 0 HB2 MET A 13 5.111 1.216 -6.516 1.00 0.45 H new ATOM 0 HB3 MET A 13 5.935 2.686 -6.035 1.00 0.45 H new ATOM 0 HG2 MET A 13 3.673 3.880 -6.544 1.00 1.35 H new ATOM 0 HG3 MET A 13 2.976 2.273 -6.536 1.00 1.35 H new ATOM 0 HE1 MET A 13 2.837 1.009 -3.183 1.00 2.22 H new ATOM 0 HE2 MET A 13 3.404 0.622 -4.825 1.00 2.22 H new ATOM 0 HE3 MET A 13 4.581 0.921 -3.525 1.00 2.22 H new ATOM 186 N ASP A 14 6.677 4.226 -9.374 1.00 0.45 N ATOM 187 CA ASP A 14 7.804 4.787 -10.099 1.00 0.52 C ATOM 188 C ASP A 14 7.846 6.322 -10.054 1.00 0.56 C ATOM 189 O ASP A 14 8.864 6.900 -10.429 1.00 0.71 O ATOM 190 CB ASP A 14 7.682 4.299 -11.555 1.00 0.64 C ATOM 191 CG ASP A 14 6.356 4.682 -12.222 1.00 0.70 C ATOM 192 OD1 ASP A 14 5.330 4.769 -11.514 1.00 1.39 O ATOM 193 OD2 ASP A 14 6.375 4.900 -13.450 1.00 1.13 O ATOM 0 H ASP A 14 5.790 4.591 -9.720 1.00 0.45 H new ATOM 0 HA ASP A 14 8.731 4.455 -9.632 1.00 0.52 H new ATOM 0 HB2 ASP A 14 8.505 4.712 -12.138 1.00 0.64 H new ATOM 0 HB3 ASP A 14 7.790 3.215 -11.576 1.00 0.64 H new ATOM 198 N CYS A 15 6.778 6.984 -9.585 1.00 0.49 N ATOM 199 CA CYS A 15 6.672 8.437 -9.517 1.00 0.45 C ATOM 200 C CYS A 15 6.116 8.835 -8.154 1.00 0.35 C ATOM 201 O CYS A 15 5.282 8.125 -7.594 1.00 0.36 O ATOM 202 CB CYS A 15 5.721 8.990 -10.594 1.00 0.50 C ATOM 203 SG CYS A 15 5.903 8.192 -12.208 1.00 0.70 S ATOM 0 H CYS A 15 5.947 6.506 -9.236 1.00 0.49 H new ATOM 0 HA CYS A 15 7.668 8.849 -9.679 1.00 0.45 H new ATOM 0 HB2 CYS A 15 4.692 8.870 -10.254 1.00 0.50 H new ATOM 0 HB3 CYS A 15 5.897 10.060 -10.706 1.00 0.50 H new ATOM 208 N ALA A 16 6.484 10.022 -7.672 1.00 0.31 N ATOM 209 CA ALA A 16 5.914 10.580 -6.452 1.00 0.30 C ATOM 210 C ALA A 16 4.396 10.745 -6.584 1.00 0.23 C ATOM 211 O ALA A 16 3.657 10.578 -5.618 1.00 0.25 O ATOM 212 CB ALA A 16 6.585 11.920 -6.141 1.00 0.36 C ATOM 0 H ALA A 16 7.182 10.619 -8.116 1.00 0.31 H new ATOM 0 HA ALA A 16 6.099 9.892 -5.627 1.00 0.30 H new ATOM 0 HB1 ALA A 16 6.159 12.337 -5.229 1.00 0.36 H new ATOM 0 HB2 ALA A 16 7.656 11.768 -6.005 1.00 0.36 H new ATOM 0 HB3 ALA A 16 6.419 12.611 -6.968 1.00 0.36 H new ATOM 218 N ALA A 17 3.912 11.071 -7.786 1.00 0.22 N ATOM 219 CA ALA A 17 2.481 11.140 -8.050 1.00 0.22 C ATOM 220 C ALA A 17 1.829 9.764 -7.886 1.00 0.21 C ATOM 221 O ALA A 17 0.736 9.661 -7.328 1.00 0.23 O ATOM 222 CB ALA A 17 2.242 11.699 -9.454 1.00 0.26 C ATOM 0 H ALA A 17 4.497 11.291 -8.592 1.00 0.22 H new ATOM 0 HA ALA A 17 2.019 11.809 -7.324 1.00 0.22 H new ATOM 0 HB1 ALA A 17 1.171 11.749 -9.648 1.00 0.26 H new ATOM 0 HB2 ALA A 17 2.671 12.698 -9.526 1.00 0.26 H new ATOM 0 HB3 ALA A 17 2.714 11.048 -10.190 1.00 0.26 H new ATOM 228 N CYS A 18 2.500 8.716 -8.378 1.00 0.28 N ATOM 229 CA CYS A 18 2.048 7.341 -8.258 1.00 0.26 C ATOM 230 C CYS A 18 2.003 6.982 -6.772 1.00 0.24 C ATOM 231 O CYS A 18 0.972 6.524 -6.287 1.00 0.28 O ATOM 232 CB CYS A 18 2.942 6.412 -9.101 1.00 0.30 C ATOM 233 SG CYS A 18 2.828 6.920 -10.849 1.00 0.44 S ATOM 0 H CYS A 18 3.385 8.810 -8.877 1.00 0.28 H new ATOM 0 HA CYS A 18 1.042 7.214 -8.657 1.00 0.26 H new ATOM 0 HB2 CYS A 18 3.975 6.468 -8.758 1.00 0.30 H new ATOM 0 HB3 CYS A 18 2.624 5.376 -8.987 1.00 0.30 H new ATOM 238 N ALA A 19 3.079 7.267 -6.028 1.00 0.23 N ATOM 239 CA ALA A 19 3.063 7.165 -4.574 1.00 0.23 C ATOM 240 C ALA A 19 1.836 7.854 -3.988 1.00 0.19 C ATOM 241 O ALA A 19 1.067 7.211 -3.283 1.00 0.22 O ATOM 242 CB ALA A 19 4.328 7.757 -3.952 1.00 0.30 C ATOM 0 H ALA A 19 3.972 7.571 -6.416 1.00 0.23 H new ATOM 0 HA ALA A 19 3.024 6.103 -4.333 1.00 0.23 H new ATOM 0 HB1 ALA A 19 4.279 7.662 -2.867 1.00 0.30 H new ATOM 0 HB2 ALA A 19 5.201 7.221 -4.324 1.00 0.30 H new ATOM 0 HB3 ALA A 19 4.407 8.810 -4.221 1.00 0.30 H new ATOM 248 N ARG A 20 1.638 9.147 -4.257 1.00 0.21 N ATOM 249 CA ARG A 20 0.542 9.875 -3.629 1.00 0.24 C ATOM 250 C ARG A 20 -0.802 9.216 -3.935 1.00 0.24 C ATOM 251 O ARG A 20 -1.653 9.039 -3.064 1.00 0.27 O ATOM 252 CB ARG A 20 0.515 11.351 -4.026 1.00 0.28 C ATOM 253 CG ARG A 20 0.468 12.197 -2.751 1.00 0.64 C ATOM 254 CD ARG A 20 0.253 13.679 -3.055 1.00 0.65 C ATOM 255 NE ARG A 20 0.223 14.440 -1.798 1.00 1.52 N ATOM 256 CZ ARG A 20 -0.102 15.738 -1.691 1.00 2.35 C ATOM 257 NH1 ARG A 20 -0.415 16.436 -2.788 1.00 2.75 N ATOM 258 NH2 ARG A 20 -0.110 16.329 -0.491 1.00 3.26 N ATOM 0 H ARG A 20 2.212 9.700 -4.894 1.00 0.21 H new ATOM 0 HA ARG A 20 0.718 9.833 -2.554 1.00 0.24 H new ATOM 0 HB2 ARG A 20 1.398 11.601 -4.614 1.00 0.28 H new ATOM 0 HB3 ARG A 20 -0.354 11.559 -4.651 1.00 0.28 H new ATOM 0 HG2 ARG A 20 -0.336 11.839 -2.108 1.00 0.64 H new ATOM 0 HG3 ARG A 20 1.399 12.072 -2.198 1.00 0.64 H new ATOM 0 HD2 ARG A 20 1.053 14.049 -3.697 1.00 0.65 H new ATOM 0 HD3 ARG A 20 -0.682 13.817 -3.598 1.00 0.65 H new ATOM 0 HE ARG A 20 0.468 13.944 -0.941 1.00 1.52 H new ATOM 0 HH11 ARG A 20 -0.406 15.982 -3.701 1.00 2.75 H new ATOM 0 HH12 ARG A 20 -0.663 17.423 -2.711 1.00 2.75 H new ATOM 0 HH21 ARG A 20 0.131 15.793 0.343 1.00 3.26 H new ATOM 0 HH22 ARG A 20 -0.357 17.315 -0.410 1.00 3.26 H new ATOM 272 N LYS A 21 -1.003 8.850 -5.200 1.00 0.25 N ATOM 273 CA LYS A 21 -2.220 8.202 -5.616 1.00 0.28 C ATOM 274 C LYS A 21 -2.376 6.862 -4.904 1.00 0.25 C ATOM 275 O LYS A 21 -3.481 6.532 -4.484 1.00 0.27 O ATOM 276 CB LYS A 21 -2.216 8.095 -7.140 1.00 0.41 C ATOM 277 CG LYS A 21 -2.656 9.448 -7.710 1.00 1.37 C ATOM 278 CD LYS A 21 -2.576 9.475 -9.238 1.00 2.15 C ATOM 279 CE LYS A 21 -3.255 10.755 -9.749 1.00 3.07 C ATOM 280 NZ LYS A 21 -3.123 10.915 -11.211 1.00 3.87 N ATOM 0 H LYS A 21 -0.327 8.998 -5.950 1.00 0.25 H new ATOM 0 HA LYS A 21 -3.095 8.787 -5.332 1.00 0.28 H new ATOM 0 HB2 LYS A 21 -1.221 7.834 -7.501 1.00 0.41 H new ATOM 0 HB3 LYS A 21 -2.891 7.305 -7.469 1.00 0.41 H new ATOM 0 HG2 LYS A 21 -3.678 9.659 -7.396 1.00 1.37 H new ATOM 0 HG3 LYS A 21 -2.027 10.237 -7.299 1.00 1.37 H new ATOM 0 HD2 LYS A 21 -1.536 9.445 -9.562 1.00 2.15 H new ATOM 0 HD3 LYS A 21 -3.065 8.596 -9.657 1.00 2.15 H new ATOM 0 HE2 LYS A 21 -4.312 10.734 -9.482 1.00 3.07 H new ATOM 0 HE3 LYS A 21 -2.817 11.620 -9.250 1.00 3.07 H new ATOM 0 HZ1 LYS A 21 -3.596 11.792 -11.508 1.00 3.87 H new ATOM 0 HZ2 LYS A 21 -2.116 10.962 -11.466 1.00 3.87 H new ATOM 0 HZ3 LYS A 21 -3.564 10.104 -11.690 1.00 3.87 H new ATOM 294 N VAL A 22 -1.290 6.114 -4.711 1.00 0.22 N ATOM 295 CA VAL A 22 -1.334 4.880 -3.956 1.00 0.24 C ATOM 296 C VAL A 22 -1.699 5.172 -2.500 1.00 0.24 C ATOM 297 O VAL A 22 -2.638 4.570 -1.984 1.00 0.29 O ATOM 298 CB VAL A 22 -0.022 4.097 -4.127 1.00 0.24 C ATOM 299 CG1 VAL A 22 0.040 2.940 -3.134 1.00 0.34 C ATOM 300 CG2 VAL A 22 0.020 3.495 -5.533 1.00 0.45 C ATOM 0 H VAL A 22 -0.366 6.351 -5.074 1.00 0.22 H new ATOM 0 HA VAL A 22 -2.118 4.230 -4.344 1.00 0.24 H new ATOM 0 HB VAL A 22 0.812 4.779 -3.960 1.00 0.24 H new ATOM 0 HG11 VAL A 22 0.975 2.395 -3.268 1.00 0.34 H new ATOM 0 HG12 VAL A 22 -0.011 3.330 -2.117 1.00 0.34 H new ATOM 0 HG13 VAL A 22 -0.800 2.267 -3.307 1.00 0.34 H new ATOM 0 HG21 VAL A 22 0.948 2.938 -5.663 1.00 0.45 H new ATOM 0 HG22 VAL A 22 -0.828 2.824 -5.667 1.00 0.45 H new ATOM 0 HG23 VAL A 22 -0.030 4.294 -6.273 1.00 0.45 H new ATOM 310 N GLU A 23 -0.993 6.081 -1.818 1.00 0.22 N ATOM 311 CA GLU A 23 -1.252 6.296 -0.404 1.00 0.23 C ATOM 312 C GLU A 23 -2.698 6.741 -0.204 1.00 0.24 C ATOM 313 O GLU A 23 -3.360 6.281 0.715 1.00 0.26 O ATOM 314 CB GLU A 23 -0.229 7.203 0.295 1.00 0.29 C ATOM 315 CG GLU A 23 -0.278 8.647 -0.191 1.00 0.35 C ATOM 316 CD GLU A 23 0.822 9.531 0.387 1.00 0.65 C ATOM 317 OE1 GLU A 23 1.713 8.973 1.063 1.00 2.11 O ATOM 318 OE2 GLU A 23 0.745 10.756 0.139 1.00 1.51 O ATOM 0 H GLU A 23 -0.257 6.663 -2.217 1.00 0.22 H new ATOM 0 HA GLU A 23 -1.118 5.339 0.100 1.00 0.23 H new ATOM 0 HB2 GLU A 23 -0.408 7.182 1.370 1.00 0.29 H new ATOM 0 HB3 GLU A 23 0.772 6.805 0.131 1.00 0.29 H new ATOM 0 HG2 GLU A 23 -0.205 8.657 -1.278 1.00 0.35 H new ATOM 0 HG3 GLU A 23 -1.247 9.074 0.067 1.00 0.35 H new ATOM 325 N ASN A 24 -3.220 7.577 -1.103 1.00 0.26 N ATOM 326 CA ASN A 24 -4.638 7.917 -1.139 1.00 0.29 C ATOM 327 C ASN A 24 -5.512 6.676 -1.368 1.00 0.29 C ATOM 328 O ASN A 24 -6.482 6.450 -0.640 1.00 0.37 O ATOM 329 CB ASN A 24 -4.891 8.971 -2.226 1.00 0.34 C ATOM 330 CG ASN A 24 -4.793 10.389 -1.667 1.00 1.19 C ATOM 331 OD1 ASN A 24 -3.710 10.932 -1.485 1.00 2.87 O ATOM 332 ND2 ASN A 24 -5.933 11.013 -1.384 1.00 1.55 N ATOM 0 H ASN A 24 -2.668 8.037 -1.827 1.00 0.26 H new ATOM 0 HA ASN A 24 -4.915 8.330 -0.169 1.00 0.29 H new ATOM 0 HB2 ASN A 24 -4.167 8.846 -3.031 1.00 0.34 H new ATOM 0 HB3 ASN A 24 -5.879 8.818 -2.660 1.00 0.34 H new ATOM 0 HD21 ASN A 24 -5.916 11.961 -1.008 1.00 1.55 H new ATOM 0 HD22 ASN A 24 -6.824 10.543 -1.543 1.00 1.55 H new ATOM 339 N ALA A 25 -5.191 5.888 -2.400 1.00 0.30 N ATOM 340 CA ALA A 25 -5.938 4.702 -2.806 1.00 0.37 C ATOM 341 C ALA A 25 -6.064 3.687 -1.673 1.00 0.34 C ATOM 342 O ALA A 25 -7.090 3.019 -1.566 1.00 0.43 O ATOM 343 CB ALA A 25 -5.297 4.057 -4.036 1.00 0.45 C ATOM 0 H ALA A 25 -4.379 6.067 -2.991 1.00 0.30 H new ATOM 0 HA ALA A 25 -6.946 5.027 -3.063 1.00 0.37 H new ATOM 0 HB1 ALA A 25 -5.868 3.174 -4.323 1.00 0.45 H new ATOM 0 HB2 ALA A 25 -5.292 4.770 -4.860 1.00 0.45 H new ATOM 0 HB3 ALA A 25 -4.273 3.766 -3.802 1.00 0.45 H new ATOM 349 N VAL A 26 -5.036 3.560 -0.832 1.00 0.26 N ATOM 350 CA VAL A 26 -5.102 2.697 0.341 1.00 0.29 C ATOM 351 C VAL A 26 -5.758 3.453 1.504 1.00 0.28 C ATOM 352 O VAL A 26 -6.656 2.926 2.157 1.00 0.32 O ATOM 353 CB VAL A 26 -3.723 2.083 0.659 1.00 0.37 C ATOM 354 CG1 VAL A 26 -3.087 1.527 -0.601 1.00 1.95 C ATOM 355 CG2 VAL A 26 -2.745 3.021 1.358 1.00 1.59 C ATOM 0 H VAL A 26 -4.147 4.047 -0.945 1.00 0.26 H new ATOM 0 HA VAL A 26 -5.742 1.838 0.142 1.00 0.29 H new ATOM 0 HB VAL A 26 -3.929 1.285 1.373 1.00 0.37 H new ATOM 0 HG11 VAL A 26 -2.115 1.098 -0.359 1.00 1.95 H new ATOM 0 HG12 VAL A 26 -3.730 0.754 -1.023 1.00 1.95 H new ATOM 0 HG13 VAL A 26 -2.959 2.329 -1.328 1.00 1.95 H new ATOM 0 HG21 VAL A 26 -1.806 2.498 1.539 1.00 1.59 H new ATOM 0 HG22 VAL A 26 -2.561 3.891 0.727 1.00 1.59 H new ATOM 0 HG23 VAL A 26 -3.168 3.345 2.309 1.00 1.59 H new ATOM 365 N ARG A 27 -5.347 4.702 1.758 1.00 0.27 N ATOM 366 CA ARG A 27 -5.819 5.474 2.909 1.00 0.30 C ATOM 367 C ARG A 27 -7.343 5.543 2.952 1.00 0.37 C ATOM 368 O ARG A 27 -7.937 5.466 4.025 1.00 0.43 O ATOM 369 CB ARG A 27 -5.203 6.878 2.900 1.00 0.31 C ATOM 370 CG ARG A 27 -5.692 7.745 4.065 1.00 0.47 C ATOM 371 CD ARG A 27 -4.929 9.072 4.072 1.00 0.59 C ATOM 372 NE ARG A 27 -5.426 9.956 5.137 1.00 0.87 N ATOM 373 CZ ARG A 27 -4.978 11.201 5.364 1.00 1.21 C ATOM 374 NH1 ARG A 27 -3.990 11.697 4.611 1.00 1.70 N ATOM 375 NH2 ARG A 27 -5.522 11.941 6.337 1.00 1.43 N ATOM 0 H ARG A 27 -4.679 5.203 1.171 1.00 0.27 H new ATOM 0 HA ARG A 27 -5.494 4.960 3.814 1.00 0.30 H new ATOM 0 HB2 ARG A 27 -4.117 6.794 2.945 1.00 0.31 H new ATOM 0 HB3 ARG A 27 -5.446 7.371 1.959 1.00 0.31 H new ATOM 0 HG2 ARG A 27 -6.762 7.930 3.970 1.00 0.47 H new ATOM 0 HG3 ARG A 27 -5.541 7.222 5.009 1.00 0.47 H new ATOM 0 HD2 ARG A 27 -3.865 8.884 4.217 1.00 0.59 H new ATOM 0 HD3 ARG A 27 -5.037 9.564 3.105 1.00 0.59 H new ATOM 0 HE ARG A 27 -6.162 9.598 5.746 1.00 0.87 H new ATOM 0 HH11 ARG A 27 -3.581 11.130 3.869 1.00 1.70 H new ATOM 0 HH12 ARG A 27 -3.646 12.642 4.779 1.00 1.70 H new ATOM 0 HH21 ARG A 27 -6.277 11.559 6.906 1.00 1.43 H new ATOM 0 HH22 ARG A 27 -5.181 12.887 6.509 1.00 1.43 H new ATOM 389 N GLN A 28 -7.976 5.692 1.788 1.00 0.37 N ATOM 390 CA GLN A 28 -9.425 5.785 1.686 1.00 0.43 C ATOM 391 C GLN A 28 -10.176 4.591 2.292 1.00 0.40 C ATOM 392 O GLN A 28 -11.379 4.711 2.495 1.00 0.44 O ATOM 393 CB GLN A 28 -9.858 6.067 0.244 1.00 0.51 C ATOM 394 CG GLN A 28 -9.547 4.867 -0.644 1.00 0.54 C ATOM 395 CD GLN A 28 -9.837 5.146 -2.113 1.00 0.66 C ATOM 396 OE1 GLN A 28 -10.646 4.471 -2.741 1.00 0.79 O ATOM 397 NE2 GLN A 28 -9.180 6.156 -2.678 1.00 0.72 N ATOM 0 H GLN A 28 -7.494 5.751 0.891 1.00 0.37 H new ATOM 0 HA GLN A 28 -9.714 6.636 2.303 1.00 0.43 H new ATOM 0 HB2 GLN A 28 -10.926 6.284 0.213 1.00 0.51 H new ATOM 0 HB3 GLN A 28 -9.342 6.950 -0.132 1.00 0.51 H new ATOM 0 HG2 GLN A 28 -8.498 4.594 -0.528 1.00 0.54 H new ATOM 0 HG3 GLN A 28 -10.137 4.012 -0.315 1.00 0.54 H new ATOM 0 HE21 GLN A 28 -8.513 6.700 -2.131 1.00 0.72 H new ATOM 0 HE22 GLN A 28 -9.344 6.386 -3.658 1.00 0.72 H new ATOM 406 N LEU A 29 -9.525 3.439 2.519 1.00 0.36 N ATOM 407 CA LEU A 29 -10.240 2.235 2.926 1.00 0.36 C ATOM 408 C LEU A 29 -11.007 2.438 4.237 1.00 0.37 C ATOM 409 O LEU A 29 -12.235 2.460 4.224 1.00 0.43 O ATOM 410 CB LEU A 29 -9.271 1.051 3.005 1.00 0.33 C ATOM 411 CG LEU A 29 -8.718 0.675 1.622 1.00 0.35 C ATOM 412 CD1 LEU A 29 -7.528 -0.270 1.803 1.00 0.35 C ATOM 413 CD2 LEU A 29 -9.777 0.013 0.738 1.00 0.44 C ATOM 0 H LEU A 29 -8.516 3.323 2.427 1.00 0.36 H new ATOM 0 HA LEU A 29 -10.991 2.011 2.168 1.00 0.36 H new ATOM 0 HB2 LEU A 29 -8.445 1.301 3.671 1.00 0.33 H new ATOM 0 HB3 LEU A 29 -9.782 0.191 3.439 1.00 0.33 H new ATOM 0 HG LEU A 29 -8.406 1.591 1.121 1.00 0.35 H new ATOM 0 HD11 LEU A 29 -7.128 -0.543 0.826 1.00 0.35 H new ATOM 0 HD12 LEU A 29 -6.753 0.228 2.386 1.00 0.35 H new ATOM 0 HD13 LEU A 29 -7.854 -1.169 2.326 1.00 0.35 H new ATOM 0 HD21 LEU A 29 -9.340 -0.235 -0.229 1.00 0.44 H new ATOM 0 HD22 LEU A 29 -10.135 -0.897 1.219 1.00 0.44 H new ATOM 0 HD23 LEU A 29 -10.611 0.699 0.594 1.00 0.44 H new ATOM 425 N ALA A 30 -10.279 2.547 5.356 1.00 0.34 N ATOM 426 CA ALA A 30 -10.779 2.729 6.717 1.00 0.38 C ATOM 427 C ALA A 30 -9.686 2.363 7.722 1.00 0.36 C ATOM 428 O ALA A 30 -9.199 3.217 8.454 1.00 0.38 O ATOM 429 CB ALA A 30 -11.996 1.839 6.966 1.00 0.40 C ATOM 0 H ALA A 30 -9.260 2.507 5.328 1.00 0.34 H new ATOM 0 HA ALA A 30 -11.066 3.773 6.840 1.00 0.38 H new ATOM 0 HB1 ALA A 30 -12.354 1.989 7.985 1.00 0.40 H new ATOM 0 HB2 ALA A 30 -12.787 2.098 6.262 1.00 0.40 H new ATOM 0 HB3 ALA A 30 -11.717 0.794 6.829 1.00 0.40 H new ATOM 435 N GLY A 31 -9.330 1.074 7.756 1.00 0.36 N ATOM 436 CA GLY A 31 -8.406 0.471 8.713 1.00 0.36 C ATOM 437 C GLY A 31 -7.130 1.285 8.928 1.00 0.35 C ATOM 438 O GLY A 31 -6.653 1.459 10.048 1.00 0.45 O ATOM 0 H GLY A 31 -9.696 0.397 7.087 1.00 0.36 H new ATOM 0 HA2 GLY A 31 -8.915 0.349 9.669 1.00 0.36 H new ATOM 0 HA3 GLY A 31 -8.136 -0.527 8.366 1.00 0.36 H new ATOM 442 N VAL A 32 -6.516 1.654 7.806 1.00 0.27 N ATOM 443 CA VAL A 32 -5.207 2.259 7.725 1.00 0.23 C ATOM 444 C VAL A 32 -5.147 3.572 8.510 1.00 0.23 C ATOM 445 O VAL A 32 -5.903 4.501 8.237 1.00 0.28 O ATOM 446 CB VAL A 32 -4.753 2.324 6.261 1.00 0.25 C ATOM 447 CG1 VAL A 32 -5.882 2.500 5.252 1.00 0.28 C ATOM 448 CG2 VAL A 32 -3.727 3.427 6.038 1.00 0.30 C ATOM 0 H VAL A 32 -6.946 1.529 6.890 1.00 0.27 H new ATOM 0 HA VAL A 32 -4.466 1.635 8.225 1.00 0.23 H new ATOM 0 HB VAL A 32 -4.308 1.345 6.082 1.00 0.25 H new ATOM 0 HG11 VAL A 32 -5.467 2.535 4.245 1.00 0.28 H new ATOM 0 HG12 VAL A 32 -6.574 1.661 5.330 1.00 0.28 H new ATOM 0 HG13 VAL A 32 -6.413 3.429 5.459 1.00 0.28 H new ATOM 0 HG21 VAL A 32 -3.430 3.441 4.989 1.00 0.30 H new ATOM 0 HG22 VAL A 32 -4.164 4.389 6.305 1.00 0.30 H new ATOM 0 HG23 VAL A 32 -2.852 3.241 6.660 1.00 0.30 H new ATOM 458 N ASN A 33 -4.220 3.636 9.471 1.00 0.24 N ATOM 459 CA ASN A 33 -4.058 4.754 10.389 1.00 0.34 C ATOM 460 C ASN A 33 -2.959 5.660 9.852 1.00 0.35 C ATOM 461 O ASN A 33 -3.188 6.847 9.631 1.00 0.48 O ATOM 462 CB ASN A 33 -3.676 4.239 11.786 1.00 0.44 C ATOM 463 CG ASN A 33 -4.794 3.428 12.431 1.00 0.67 C ATOM 464 OD1 ASN A 33 -5.929 3.886 12.503 1.00 0.91 O ATOM 465 ND2 ASN A 33 -4.502 2.233 12.937 1.00 0.90 N ATOM 0 H ASN A 33 -3.546 2.888 9.631 1.00 0.24 H new ATOM 0 HA ASN A 33 -4.994 5.307 10.470 1.00 0.34 H new ATOM 0 HB2 ASN A 33 -2.780 3.623 11.711 1.00 0.44 H new ATOM 0 HB3 ASN A 33 -3.428 5.085 12.427 1.00 0.44 H new ATOM 0 HD21 ASN A 33 -5.228 1.682 13.394 1.00 0.90 H new ATOM 0 HD22 ASN A 33 -3.552 1.868 12.868 1.00 0.90 H new ATOM 472 N GLN A 34 -1.775 5.089 9.617 1.00 0.27 N ATOM 473 CA GLN A 34 -0.677 5.750 8.930 1.00 0.27 C ATOM 474 C GLN A 34 -0.333 4.893 7.716 1.00 0.29 C ATOM 475 O GLN A 34 -0.485 3.673 7.741 1.00 0.55 O ATOM 476 CB GLN A 34 0.514 5.947 9.885 1.00 0.29 C ATOM 477 CG GLN A 34 1.733 6.637 9.251 1.00 0.33 C ATOM 478 CD GLN A 34 1.416 8.061 8.798 1.00 0.72 C ATOM 479 OE1 GLN A 34 1.011 8.895 9.601 1.00 1.12 O ATOM 480 NE2 GLN A 34 1.576 8.364 7.512 1.00 2.56 N ATOM 0 H GLN A 34 -1.555 4.136 9.907 1.00 0.27 H new ATOM 0 HA GLN A 34 -0.952 6.750 8.596 1.00 0.27 H new ATOM 0 HB2 GLN A 34 0.184 6.536 10.741 1.00 0.29 H new ATOM 0 HB3 GLN A 34 0.822 4.974 10.267 1.00 0.29 H new ATOM 0 HG2 GLN A 34 2.551 6.660 9.971 1.00 0.33 H new ATOM 0 HG3 GLN A 34 2.076 6.053 8.397 1.00 0.33 H new ATOM 0 HE21 GLN A 34 1.914 7.657 6.860 1.00 2.56 H new ATOM 0 HE22 GLN A 34 1.361 9.304 7.179 1.00 2.56 H new ATOM 489 N VAL A 35 0.090 5.550 6.639 1.00 0.29 N ATOM 490 CA VAL A 35 0.525 4.921 5.407 1.00 0.35 C ATOM 491 C VAL A 35 1.889 5.505 5.056 1.00 0.24 C ATOM 492 O VAL A 35 2.164 6.661 5.380 1.00 0.36 O ATOM 493 CB VAL A 35 -0.532 5.141 4.309 1.00 0.65 C ATOM 494 CG1 VAL A 35 -0.960 6.608 4.155 1.00 1.15 C ATOM 495 CG2 VAL A 35 -0.043 4.606 2.962 1.00 2.07 C ATOM 0 H VAL A 35 0.139 6.568 6.605 1.00 0.29 H new ATOM 0 HA VAL A 35 0.628 3.841 5.512 1.00 0.35 H new ATOM 0 HB VAL A 35 -1.410 4.583 4.632 1.00 0.65 H new ATOM 0 HG11 VAL A 35 -1.706 6.688 3.364 1.00 1.15 H new ATOM 0 HG12 VAL A 35 -1.386 6.963 5.093 1.00 1.15 H new ATOM 0 HG13 VAL A 35 -0.092 7.215 3.898 1.00 1.15 H new ATOM 0 HG21 VAL A 35 -0.808 4.774 2.204 1.00 2.07 H new ATOM 0 HG22 VAL A 35 0.872 5.125 2.675 1.00 2.07 H new ATOM 0 HG23 VAL A 35 0.156 3.538 3.046 1.00 2.07 H new ATOM 505 N GLN A 36 2.748 4.701 4.430 1.00 0.25 N ATOM 506 CA GLN A 36 4.069 5.109 3.998 1.00 0.35 C ATOM 507 C GLN A 36 4.419 4.269 2.772 1.00 0.29 C ATOM 508 O GLN A 36 4.896 3.141 2.906 1.00 0.31 O ATOM 509 CB GLN A 36 5.046 4.888 5.159 1.00 0.47 C ATOM 510 CG GLN A 36 6.477 5.311 4.806 1.00 0.55 C ATOM 511 CD GLN A 36 7.449 4.909 5.903 1.00 0.85 C ATOM 512 OE1 GLN A 36 8.094 5.747 6.522 1.00 1.92 O ATOM 513 NE2 GLN A 36 7.561 3.609 6.151 1.00 0.64 N ATOM 0 H GLN A 36 2.533 3.729 4.208 1.00 0.25 H new ATOM 0 HA GLN A 36 4.118 6.163 3.725 1.00 0.35 H new ATOM 0 HB2 GLN A 36 4.707 5.452 6.028 1.00 0.47 H new ATOM 0 HB3 GLN A 36 5.040 3.835 5.440 1.00 0.47 H new ATOM 0 HG2 GLN A 36 6.775 4.850 3.864 1.00 0.55 H new ATOM 0 HG3 GLN A 36 6.515 6.390 4.659 1.00 0.55 H new ATOM 0 HE21 GLN A 36 7.009 2.938 5.616 1.00 0.64 H new ATOM 0 HE22 GLN A 36 8.199 3.281 6.876 1.00 0.64 H new ATOM 522 N VAL A 37 4.155 4.796 1.573 1.00 0.26 N ATOM 523 CA VAL A 37 4.403 4.078 0.334 1.00 0.24 C ATOM 524 C VAL A 37 5.721 4.551 -0.278 1.00 0.34 C ATOM 525 O VAL A 37 5.835 5.688 -0.735 1.00 0.53 O ATOM 526 CB VAL A 37 3.179 4.128 -0.590 1.00 0.51 C ATOM 527 CG1 VAL A 37 1.929 3.646 0.166 1.00 1.77 C ATOM 528 CG2 VAL A 37 2.917 5.497 -1.222 1.00 1.20 C ATOM 0 H VAL A 37 3.765 5.729 1.441 1.00 0.26 H new ATOM 0 HA VAL A 37 4.538 3.013 0.525 1.00 0.24 H new ATOM 0 HB VAL A 37 3.406 3.459 -1.420 1.00 0.51 H new ATOM 0 HG11 VAL A 37 1.065 3.685 -0.497 1.00 1.77 H new ATOM 0 HG12 VAL A 37 2.081 2.621 0.504 1.00 1.77 H new ATOM 0 HG13 VAL A 37 1.754 4.290 1.028 1.00 1.77 H new ATOM 0 HG21 VAL A 37 2.034 5.441 -1.859 1.00 1.20 H new ATOM 0 HG22 VAL A 37 2.751 6.235 -0.437 1.00 1.20 H new ATOM 0 HG23 VAL A 37 3.778 5.792 -1.821 1.00 1.20 H new ATOM 538 N LEU A 38 6.746 3.698 -0.239 1.00 0.31 N ATOM 539 CA LEU A 38 8.091 4.055 -0.627 1.00 0.32 C ATOM 540 C LEU A 38 8.311 3.556 -2.052 1.00 0.29 C ATOM 541 O LEU A 38 8.934 2.518 -2.300 1.00 0.32 O ATOM 542 CB LEU A 38 9.074 3.483 0.394 1.00 0.40 C ATOM 543 CG LEU A 38 10.501 3.972 0.133 1.00 0.41 C ATOM 544 CD1 LEU A 38 10.682 5.468 0.421 1.00 0.60 C ATOM 545 CD2 LEU A 38 11.458 3.169 1.020 1.00 0.56 C ATOM 0 H LEU A 38 6.653 2.730 0.068 1.00 0.31 H new ATOM 0 HA LEU A 38 8.254 5.133 -0.630 1.00 0.32 H new ATOM 0 HB2 LEU A 38 8.767 3.773 1.399 1.00 0.40 H new ATOM 0 HB3 LEU A 38 9.048 2.394 0.355 1.00 0.40 H new ATOM 0 HG LEU A 38 10.715 3.823 -0.925 1.00 0.41 H new ATOM 0 HD11 LEU A 38 11.714 5.755 0.218 1.00 0.60 H new ATOM 0 HD12 LEU A 38 10.012 6.045 -0.217 1.00 0.60 H new ATOM 0 HD13 LEU A 38 10.449 5.668 1.467 1.00 0.60 H new ATOM 0 HD21 LEU A 38 12.481 3.504 0.848 1.00 0.56 H new ATOM 0 HD22 LEU A 38 11.198 3.322 2.067 1.00 0.56 H new ATOM 0 HD23 LEU A 38 11.377 2.110 0.777 1.00 0.56 H new ATOM 557 N PHE A 39 7.769 4.333 -2.989 1.00 0.30 N ATOM 558 CA PHE A 39 7.977 4.131 -4.410 1.00 0.31 C ATOM 559 C PHE A 39 9.475 4.176 -4.735 1.00 0.33 C ATOM 560 O PHE A 39 10.272 4.652 -3.924 1.00 0.35 O ATOM 561 CB PHE A 39 7.166 5.176 -5.188 1.00 0.39 C ATOM 562 CG PHE A 39 7.868 6.493 -5.442 1.00 0.27 C ATOM 563 CD1 PHE A 39 7.891 7.504 -4.465 1.00 1.68 C ATOM 564 CD2 PHE A 39 8.519 6.692 -6.672 1.00 1.90 C ATOM 565 CE1 PHE A 39 8.488 8.742 -4.755 1.00 1.67 C ATOM 566 CE2 PHE A 39 9.110 7.930 -6.966 1.00 1.98 C ATOM 567 CZ PHE A 39 9.063 8.965 -6.019 1.00 0.58 C ATOM 0 H PHE A 39 7.167 5.128 -2.773 1.00 0.30 H new ATOM 0 HA PHE A 39 7.623 3.145 -4.713 1.00 0.31 H new ATOM 0 HB2 PHE A 39 6.880 4.746 -6.148 1.00 0.39 H new ATOM 0 HB3 PHE A 39 6.245 5.376 -4.641 1.00 0.39 H new ATOM 0 HD1 PHE A 39 7.451 7.329 -3.494 1.00 1.68 H new ATOM 0 HD2 PHE A 39 8.564 5.889 -7.393 1.00 1.90 H new ATOM 0 HE1 PHE A 39 8.505 9.522 -4.008 1.00 1.67 H new ATOM 0 HE2 PHE A 39 9.599 8.086 -7.916 1.00 1.98 H new ATOM 0 HZ PHE A 39 9.470 9.936 -6.262 1.00 0.58 H new ATOM 577 N ALA A 40 9.872 3.630 -5.888 1.00 0.35 N ATOM 578 CA ALA A 40 11.257 3.545 -6.358 1.00 0.36 C ATOM 579 C ALA A 40 12.096 2.528 -5.569 1.00 0.39 C ATOM 580 O ALA A 40 12.874 1.782 -6.154 1.00 0.72 O ATOM 581 CB ALA A 40 11.926 4.926 -6.418 1.00 0.44 C ATOM 0 H ALA A 40 9.210 3.219 -6.546 1.00 0.35 H new ATOM 0 HA ALA A 40 11.210 3.166 -7.379 1.00 0.36 H new ATOM 0 HB1 ALA A 40 12.952 4.818 -6.771 1.00 0.44 H new ATOM 0 HB2 ALA A 40 11.372 5.569 -7.102 1.00 0.44 H new ATOM 0 HB3 ALA A 40 11.930 5.372 -5.423 1.00 0.44 H new ATOM 587 N THR A 41 11.929 2.471 -4.242 1.00 0.32 N ATOM 588 CA THR A 41 12.428 1.378 -3.411 1.00 0.31 C ATOM 589 C THR A 41 11.494 0.162 -3.505 1.00 0.38 C ATOM 590 O THR A 41 11.794 -0.895 -2.953 1.00 0.88 O ATOM 591 CB THR A 41 12.581 1.861 -1.964 1.00 0.46 C ATOM 592 OG1 THR A 41 13.183 3.142 -1.934 1.00 0.95 O ATOM 593 CG2 THR A 41 13.452 0.931 -1.110 1.00 0.85 C ATOM 0 H THR A 41 11.438 3.192 -3.713 1.00 0.32 H new ATOM 0 HA THR A 41 13.407 1.065 -3.773 1.00 0.31 H new ATOM 0 HB THR A 41 11.572 1.880 -1.551 1.00 0.46 H new ATOM 0 HG1 THR A 41 13.562 3.305 -1.045 1.00 0.95 H new ATOM 0 HG21 THR A 41 13.522 1.327 -0.097 1.00 0.85 H new ATOM 0 HG22 THR A 41 13.004 -0.062 -1.081 1.00 0.85 H new ATOM 0 HG23 THR A 41 14.450 0.867 -1.544 1.00 0.85 H new ATOM 601 N GLU A 42 10.369 0.298 -4.215 1.00 0.39 N ATOM 602 CA GLU A 42 9.547 -0.815 -4.647 1.00 0.48 C ATOM 603 C GLU A 42 8.797 -1.472 -3.480 1.00 0.45 C ATOM 604 O GLU A 42 8.526 -2.677 -3.518 1.00 0.60 O ATOM 605 CB GLU A 42 10.410 -1.818 -5.439 1.00 0.75 C ATOM 606 CG GLU A 42 9.661 -2.363 -6.660 1.00 1.43 C ATOM 607 CD GLU A 42 9.594 -1.374 -7.822 1.00 3.06 C ATOM 608 OE1 GLU A 42 10.203 -0.288 -7.705 1.00 3.97 O ATOM 609 OE2 GLU A 42 8.931 -1.738 -8.816 1.00 4.12 O ATOM 0 H GLU A 42 10.006 1.206 -4.506 1.00 0.39 H new ATOM 0 HA GLU A 42 8.770 -0.437 -5.311 1.00 0.48 H new ATOM 0 HB2 GLU A 42 11.330 -1.331 -5.763 1.00 0.75 H new ATOM 0 HB3 GLU A 42 10.698 -2.644 -4.789 1.00 0.75 H new ATOM 0 HG2 GLU A 42 10.149 -3.277 -6.998 1.00 1.43 H new ATOM 0 HG3 GLU A 42 8.647 -2.634 -6.364 1.00 1.43 H new ATOM 616 N LYS A 43 8.400 -0.697 -2.457 1.00 0.36 N ATOM 617 CA LYS A 43 7.614 -1.261 -1.373 1.00 0.48 C ATOM 618 C LYS A 43 6.687 -0.248 -0.717 1.00 0.40 C ATOM 619 O LYS A 43 6.952 0.954 -0.717 1.00 0.50 O ATOM 620 CB LYS A 43 8.520 -1.991 -0.376 1.00 0.69 C ATOM 621 CG LYS A 43 9.316 -1.120 0.585 1.00 0.98 C ATOM 622 CD LYS A 43 8.467 -0.643 1.764 1.00 0.76 C ATOM 623 CE LYS A 43 9.173 -0.945 3.089 1.00 1.30 C ATOM 624 NZ LYS A 43 9.034 -2.379 3.441 1.00 2.77 N ATOM 0 H LYS A 43 8.609 0.297 -2.367 1.00 0.36 H new ATOM 0 HA LYS A 43 6.942 -2.003 -1.804 1.00 0.48 H new ATOM 0 HB2 LYS A 43 7.902 -2.670 0.212 1.00 0.69 H new ATOM 0 HB3 LYS A 43 9.222 -2.605 -0.940 1.00 0.69 H new ATOM 0 HG2 LYS A 43 10.172 -1.682 0.959 1.00 0.98 H new ATOM 0 HG3 LYS A 43 9.710 -0.256 0.050 1.00 0.98 H new ATOM 0 HD2 LYS A 43 8.284 0.428 1.678 1.00 0.76 H new ATOM 0 HD3 LYS A 43 7.495 -1.135 1.743 1.00 0.76 H new ATOM 0 HE2 LYS A 43 10.229 -0.685 3.012 1.00 1.30 H new ATOM 0 HE3 LYS A 43 8.750 -0.328 3.882 1.00 1.30 H new ATOM 0 HZ1 LYS A 43 9.505 -2.560 4.351 1.00 2.77 H new ATOM 0 HZ2 LYS A 43 8.026 -2.621 3.518 1.00 2.77 H new ATOM 0 HZ3 LYS A 43 9.474 -2.962 2.701 1.00 2.77 H new ATOM 638 N LEU A 44 5.604 -0.750 -0.121 1.00 0.30 N ATOM 639 CA LEU A 44 4.639 0.021 0.623 1.00 0.23 C ATOM 640 C LEU A 44 4.600 -0.537 2.037 1.00 0.18 C ATOM 641 O LEU A 44 4.866 -1.720 2.224 1.00 0.27 O ATOM 642 CB LEU A 44 3.310 -0.008 -0.147 1.00 0.25 C ATOM 643 CG LEU A 44 2.129 -0.709 0.496 1.00 0.50 C ATOM 644 CD1 LEU A 44 1.650 0.063 1.710 1.00 0.75 C ATOM 645 CD2 LEU A 44 0.996 -0.808 -0.504 1.00 0.67 C ATOM 0 H LEU A 44 5.378 -1.744 -0.152 1.00 0.30 H new ATOM 0 HA LEU A 44 4.893 1.076 0.723 1.00 0.23 H new ATOM 0 HB2 LEU A 44 3.018 1.023 -0.347 1.00 0.25 H new ATOM 0 HB3 LEU A 44 3.494 -0.480 -1.112 1.00 0.25 H new ATOM 0 HG LEU A 44 2.443 -1.705 0.808 1.00 0.50 H new ATOM 0 HD11 LEU A 44 0.802 -0.454 2.159 1.00 0.75 H new ATOM 0 HD12 LEU A 44 2.458 0.135 2.438 1.00 0.75 H new ATOM 0 HD13 LEU A 44 1.345 1.065 1.407 1.00 0.75 H new ATOM 0 HD21 LEU A 44 0.147 -1.312 -0.043 1.00 0.67 H new ATOM 0 HD22 LEU A 44 0.698 0.193 -0.817 1.00 0.67 H new ATOM 0 HD23 LEU A 44 1.327 -1.376 -1.373 1.00 0.67 H new ATOM 657 N VAL A 45 4.316 0.318 3.020 1.00 0.25 N ATOM 658 CA VAL A 45 4.177 0.025 4.419 1.00 0.26 C ATOM 659 C VAL A 45 2.915 0.745 4.882 1.00 0.24 C ATOM 660 O VAL A 45 2.637 1.868 4.453 1.00 0.25 O ATOM 661 CB VAL A 45 5.448 0.460 5.162 1.00 0.35 C ATOM 662 CG1 VAL A 45 5.168 0.896 6.600 1.00 0.42 C ATOM 663 CG2 VAL A 45 6.412 -0.723 5.159 1.00 0.40 C ATOM 0 H VAL A 45 4.168 1.309 2.827 1.00 0.25 H new ATOM 0 HA VAL A 45 4.069 -1.040 4.626 1.00 0.26 H new ATOM 0 HB VAL A 45 5.873 1.325 4.653 1.00 0.35 H new ATOM 0 HG11 VAL A 45 6.101 1.193 7.078 1.00 0.42 H new ATOM 0 HG12 VAL A 45 4.477 1.739 6.597 1.00 0.42 H new ATOM 0 HG13 VAL A 45 4.725 0.067 7.152 1.00 0.42 H new ATOM 0 HG21 VAL A 45 7.328 -0.447 5.681 1.00 0.40 H new ATOM 0 HG22 VAL A 45 5.949 -1.571 5.663 1.00 0.40 H new ATOM 0 HG23 VAL A 45 6.648 -0.997 4.131 1.00 0.40 H new ATOM 673 N VAL A 46 2.137 0.054 5.707 1.00 0.28 N ATOM 674 CA VAL A 46 0.838 0.473 6.191 1.00 0.20 C ATOM 675 C VAL A 46 0.768 0.121 7.665 1.00 0.17 C ATOM 676 O VAL A 46 1.090 -1.007 8.031 1.00 0.29 O ATOM 677 CB VAL A 46 -0.231 -0.278 5.385 1.00 0.32 C ATOM 678 CG1 VAL A 46 -1.545 -0.503 6.128 1.00 0.61 C ATOM 679 CG2 VAL A 46 -0.569 0.473 4.101 1.00 0.30 C ATOM 0 H VAL A 46 2.414 -0.858 6.071 1.00 0.28 H new ATOM 0 HA VAL A 46 0.674 1.544 6.072 1.00 0.20 H new ATOM 0 HB VAL A 46 0.219 -1.251 5.187 1.00 0.32 H new ATOM 0 HG11 VAL A 46 -2.240 -1.040 5.483 1.00 0.61 H new ATOM 0 HG12 VAL A 46 -1.358 -1.089 7.028 1.00 0.61 H new ATOM 0 HG13 VAL A 46 -1.976 0.459 6.404 1.00 0.61 H new ATOM 0 HG21 VAL A 46 -1.329 -0.078 3.546 1.00 0.30 H new ATOM 0 HG22 VAL A 46 -0.948 1.464 4.348 1.00 0.30 H new ATOM 0 HG23 VAL A 46 0.328 0.570 3.489 1.00 0.30 H new ATOM 689 N ASP A 47 0.316 1.061 8.489 1.00 0.16 N ATOM 690 CA ASP A 47 0.089 0.852 9.903 1.00 0.20 C ATOM 691 C ASP A 47 -1.426 0.855 10.091 1.00 0.26 C ATOM 692 O ASP A 47 -2.066 1.898 9.932 1.00 0.34 O ATOM 693 CB ASP A 47 0.793 1.951 10.699 1.00 0.28 C ATOM 694 CG ASP A 47 2.291 1.986 10.407 1.00 0.97 C ATOM 695 OD1 ASP A 47 2.979 1.032 10.832 1.00 1.69 O ATOM 696 OD2 ASP A 47 2.720 2.953 9.742 1.00 2.14 O ATOM 0 H ASP A 47 0.095 2.007 8.179 1.00 0.16 H new ATOM 0 HA ASP A 47 0.498 -0.091 10.266 1.00 0.20 H new ATOM 0 HB2 ASP A 47 0.352 2.917 10.455 1.00 0.28 H new ATOM 0 HB3 ASP A 47 0.633 1.788 11.765 1.00 0.28 H new ATOM 701 N ALA A 48 -2.005 -0.323 10.340 1.00 0.28 N ATOM 702 CA ALA A 48 -3.446 -0.512 10.469 1.00 0.35 C ATOM 703 C ALA A 48 -3.723 -1.420 11.655 1.00 0.57 C ATOM 704 O ALA A 48 -3.232 -2.548 11.703 1.00 0.85 O ATOM 705 CB ALA A 48 -4.041 -1.132 9.201 1.00 0.33 C ATOM 0 H ALA A 48 -1.473 -1.185 10.459 1.00 0.28 H new ATOM 0 HA ALA A 48 -3.911 0.462 10.620 1.00 0.35 H new ATOM 0 HB1 ALA A 48 -5.116 -1.260 9.329 1.00 0.33 H new ATOM 0 HB2 ALA A 48 -3.852 -0.475 8.352 1.00 0.33 H new ATOM 0 HB3 ALA A 48 -3.579 -2.102 9.019 1.00 0.33 H new ATOM 711 N ASP A 49 -4.556 -0.947 12.576 1.00 0.61 N ATOM 712 CA ASP A 49 -4.732 -1.561 13.883 1.00 0.80 C ATOM 713 C ASP A 49 -6.178 -1.999 14.008 1.00 0.77 C ATOM 714 O ASP A 49 -6.924 -1.600 14.897 1.00 0.96 O ATOM 715 CB ASP A 49 -4.269 -0.578 14.954 1.00 1.09 C ATOM 716 CG ASP A 49 -2.804 -0.265 14.717 1.00 1.71 C ATOM 717 OD1 ASP A 49 -1.987 -1.120 15.125 1.00 2.64 O ATOM 718 OD2 ASP A 49 -2.524 0.769 14.067 1.00 2.55 O ATOM 0 H ASP A 49 -5.133 -0.118 12.433 1.00 0.61 H new ATOM 0 HA ASP A 49 -4.123 -2.455 14.014 1.00 0.80 H new ATOM 0 HB2 ASP A 49 -4.863 0.335 14.913 1.00 1.09 H new ATOM 0 HB3 ASP A 49 -4.410 -1.005 15.947 1.00 1.09 H new ATOM 723 N ASN A 50 -6.550 -2.831 13.042 1.00 0.64 N ATOM 724 CA ASN A 50 -7.859 -3.424 12.851 1.00 0.58 C ATOM 725 C ASN A 50 -7.553 -4.488 11.807 1.00 0.56 C ATOM 726 O ASN A 50 -6.777 -5.382 12.135 1.00 0.85 O ATOM 727 CB ASN A 50 -8.969 -2.400 12.503 1.00 0.81 C ATOM 728 CG ASN A 50 -8.519 -1.006 12.056 1.00 2.42 C ATOM 729 OD1 ASN A 50 -9.157 -0.017 12.397 1.00 3.27 O ATOM 730 ND2 ASN A 50 -7.440 -0.888 11.287 1.00 3.52 N ATOM 0 H ASN A 50 -5.892 -3.128 12.321 1.00 0.64 H new ATOM 0 HA ASN A 50 -8.306 -3.851 13.749 1.00 0.58 H new ATOM 0 HB2 ASN A 50 -9.586 -2.826 11.712 1.00 0.81 H new ATOM 0 HB3 ASN A 50 -9.608 -2.284 13.378 1.00 0.81 H new ATOM 0 HD21 ASN A 50 -7.135 0.034 10.974 1.00 3.52 H new ATOM 0 HD22 ASN A 50 -6.918 -1.719 11.010 1.00 3.52 H new ATOM 737 N ASP A 51 -7.984 -4.349 10.547 1.00 0.65 N ATOM 738 CA ASP A 51 -7.365 -5.120 9.475 1.00 0.56 C ATOM 739 C ASP A 51 -7.858 -4.691 8.110 1.00 0.53 C ATOM 740 O ASP A 51 -9.059 -4.509 7.917 1.00 0.91 O ATOM 741 CB ASP A 51 -7.674 -6.607 9.583 1.00 0.59 C ATOM 742 CG ASP A 51 -6.506 -7.443 9.062 1.00 0.98 C ATOM 743 OD1 ASP A 51 -5.696 -6.949 8.234 1.00 2.44 O ATOM 744 OD2 ASP A 51 -6.362 -8.580 9.557 1.00 1.76 O ATOM 0 H ASP A 51 -8.738 -3.727 10.255 1.00 0.65 H new ATOM 0 HA ASP A 51 -6.296 -4.936 9.583 1.00 0.56 H new ATOM 0 HB2 ASP A 51 -7.878 -6.866 10.622 1.00 0.59 H new ATOM 0 HB3 ASP A 51 -8.575 -6.838 9.014 1.00 0.59 H new ATOM 749 N ILE A 52 -6.928 -4.564 7.170 1.00 0.36 N ATOM 750 CA ILE A 52 -7.199 -4.109 5.825 1.00 0.30 C ATOM 751 C ILE A 52 -6.143 -4.572 4.830 1.00 0.31 C ATOM 752 O ILE A 52 -6.185 -4.117 3.699 1.00 0.24 O ATOM 753 CB ILE A 52 -7.262 -2.573 5.807 1.00 0.29 C ATOM 754 CG1 ILE A 52 -6.079 -1.933 6.550 1.00 0.33 C ATOM 755 CG2 ILE A 52 -8.556 -2.049 6.408 1.00 0.31 C ATOM 756 CD1 ILE A 52 -4.871 -1.771 5.647 1.00 0.37 C ATOM 0 H ILE A 52 -5.945 -4.781 7.333 1.00 0.36 H new ATOM 0 HA ILE A 52 -8.153 -4.541 5.523 1.00 0.30 H new ATOM 0 HB ILE A 52 -7.214 -2.292 4.755 1.00 0.29 H new ATOM 0 HG12 ILE A 52 -6.377 -0.959 6.938 1.00 0.33 H new ATOM 0 HG13 ILE A 52 -5.812 -2.550 7.408 1.00 0.33 H new ATOM 0 HG21 ILE A 52 -8.558 -0.960 6.375 1.00 0.31 H new ATOM 0 HG22 ILE A 52 -9.403 -2.431 5.838 1.00 0.31 H new ATOM 0 HG23 ILE A 52 -8.637 -2.380 7.443 1.00 0.31 H new ATOM 0 HD11 ILE A 52 -4.056 -1.315 6.209 1.00 0.37 H new ATOM 0 HD12 ILE A 52 -4.557 -2.748 5.280 1.00 0.37 H new ATOM 0 HD13 ILE A 52 -5.131 -1.133 4.802 1.00 0.37 H new ATOM 768 N ARG A 53 -5.171 -5.420 5.170 1.00 0.50 N ATOM 769 CA ARG A 53 -4.055 -5.614 4.236 1.00 0.36 C ATOM 770 C ARG A 53 -4.571 -6.200 2.930 1.00 0.26 C ATOM 771 O ARG A 53 -4.309 -5.692 1.847 1.00 0.27 O ATOM 772 CB ARG A 53 -3.011 -6.556 4.804 1.00 0.43 C ATOM 773 CG ARG A 53 -2.549 -6.136 6.194 1.00 0.97 C ATOM 774 CD ARG A 53 -2.091 -7.359 6.974 1.00 1.09 C ATOM 775 NE ARG A 53 -3.089 -7.794 7.983 1.00 1.41 N ATOM 776 CZ ARG A 53 -2.837 -8.711 8.933 1.00 2.01 C ATOM 777 NH1 ARG A 53 -1.623 -9.268 9.009 1.00 2.62 N ATOM 778 NH2 ARG A 53 -3.781 -9.091 9.795 1.00 2.34 N ATOM 0 H ARG A 53 -5.128 -5.958 6.035 1.00 0.50 H new ATOM 0 HA ARG A 53 -3.597 -4.640 4.066 1.00 0.36 H new ATOM 0 HB2 ARG A 53 -3.421 -7.565 4.849 1.00 0.43 H new ATOM 0 HB3 ARG A 53 -2.153 -6.591 4.133 1.00 0.43 H new ATOM 0 HG2 ARG A 53 -1.734 -5.417 6.115 1.00 0.97 H new ATOM 0 HG3 ARG A 53 -3.362 -5.639 6.723 1.00 0.97 H new ATOM 0 HD2 ARG A 53 -1.899 -8.178 6.281 1.00 1.09 H new ATOM 0 HD3 ARG A 53 -1.148 -7.136 7.473 1.00 1.09 H new ATOM 0 HE ARG A 53 -4.018 -7.374 7.954 1.00 1.41 H new ATOM 0 HH11 ARG A 53 -0.895 -8.996 8.348 1.00 2.62 H new ATOM 0 HH12 ARG A 53 -1.425 -9.964 9.728 1.00 2.62 H new ATOM 0 HH21 ARG A 53 -4.715 -8.684 9.741 1.00 2.34 H new ATOM 0 HH22 ARG A 53 -3.569 -9.788 10.509 1.00 2.34 H new ATOM 792 N ALA A 54 -5.403 -7.228 3.076 1.00 0.31 N ATOM 793 CA ALA A 54 -6.117 -7.837 1.979 1.00 0.29 C ATOM 794 C ALA A 54 -6.915 -6.785 1.189 1.00 0.25 C ATOM 795 O ALA A 54 -7.015 -6.869 -0.035 1.00 0.38 O ATOM 796 CB ALA A 54 -6.947 -8.981 2.537 1.00 0.40 C ATOM 0 H ALA A 54 -5.597 -7.662 3.979 1.00 0.31 H new ATOM 0 HA ALA A 54 -5.433 -8.260 1.243 1.00 0.29 H new ATOM 0 HB1 ALA A 54 -7.498 -9.460 1.727 1.00 0.40 H new ATOM 0 HB2 ALA A 54 -6.290 -9.711 3.010 1.00 0.40 H new ATOM 0 HB3 ALA A 54 -7.650 -8.594 3.275 1.00 0.40 H new ATOM 802 N GLN A 55 -7.430 -5.752 1.870 1.00 0.20 N ATOM 803 CA GLN A 55 -8.060 -4.609 1.224 1.00 0.18 C ATOM 804 C GLN A 55 -7.040 -3.762 0.460 1.00 0.19 C ATOM 805 O GLN A 55 -7.280 -3.401 -0.689 1.00 0.22 O ATOM 806 CB GLN A 55 -8.894 -3.770 2.195 1.00 0.26 C ATOM 807 CG GLN A 55 -10.032 -4.579 2.827 1.00 0.88 C ATOM 808 CD GLN A 55 -10.830 -3.724 3.804 1.00 1.42 C ATOM 809 OE1 GLN A 55 -11.057 -2.541 3.571 1.00 2.89 O ATOM 810 NE2 GLN A 55 -11.244 -4.302 4.926 1.00 1.17 N ATOM 0 H GLN A 55 -7.418 -5.692 2.888 1.00 0.20 H new ATOM 0 HA GLN A 55 -8.761 -5.010 0.492 1.00 0.18 H new ATOM 0 HB2 GLN A 55 -8.249 -3.378 2.981 1.00 0.26 H new ATOM 0 HB3 GLN A 55 -9.310 -2.912 1.667 1.00 0.26 H new ATOM 0 HG2 GLN A 55 -10.692 -4.958 2.046 1.00 0.88 H new ATOM 0 HG3 GLN A 55 -9.623 -5.446 3.346 1.00 0.88 H new ATOM 0 HE21 GLN A 55 -11.043 -5.287 5.096 1.00 1.17 H new ATOM 0 HE22 GLN A 55 -11.763 -3.761 5.617 1.00 1.17 H new ATOM 819 N VAL A 56 -5.899 -3.452 1.074 1.00 0.18 N ATOM 820 CA VAL A 56 -4.842 -2.678 0.444 1.00 0.19 C ATOM 821 C VAL A 56 -4.415 -3.355 -0.850 1.00 0.19 C ATOM 822 O VAL A 56 -4.291 -2.715 -1.889 1.00 0.24 O ATOM 823 CB VAL A 56 -3.623 -2.521 1.337 1.00 0.23 C ATOM 824 CG1 VAL A 56 -2.488 -1.833 0.569 1.00 0.27 C ATOM 825 CG2 VAL A 56 -3.987 -1.687 2.555 1.00 0.33 C ATOM 0 H VAL A 56 -5.685 -3.735 2.030 1.00 0.18 H new ATOM 0 HA VAL A 56 -5.247 -1.685 0.250 1.00 0.19 H new ATOM 0 HB VAL A 56 -3.290 -3.509 1.655 1.00 0.23 H new ATOM 0 HG11 VAL A 56 -1.620 -1.727 1.220 1.00 0.27 H new ATOM 0 HG12 VAL A 56 -2.219 -2.435 -0.299 1.00 0.27 H new ATOM 0 HG13 VAL A 56 -2.817 -0.848 0.239 1.00 0.27 H new ATOM 0 HG21 VAL A 56 -3.111 -1.575 3.194 1.00 0.33 H new ATOM 0 HG22 VAL A 56 -4.329 -0.703 2.233 1.00 0.33 H new ATOM 0 HG23 VAL A 56 -4.782 -2.184 3.112 1.00 0.33 H new ATOM 835 N GLU A 57 -4.138 -4.654 -0.772 1.00 0.20 N ATOM 836 CA GLU A 57 -3.502 -5.358 -1.863 1.00 0.25 C ATOM 837 C GLU A 57 -4.490 -5.480 -3.003 1.00 0.23 C ATOM 838 O GLU A 57 -4.177 -5.099 -4.128 1.00 0.28 O ATOM 839 CB GLU A 57 -2.857 -6.654 -1.372 1.00 0.35 C ATOM 840 CG GLU A 57 -3.781 -7.710 -0.777 1.00 0.71 C ATOM 841 CD GLU A 57 -3.027 -8.703 0.105 1.00 1.85 C ATOM 842 OE1 GLU A 57 -2.277 -8.239 0.995 1.00 3.42 O ATOM 843 OE2 GLU A 57 -3.232 -9.914 -0.119 1.00 2.34 O ATOM 0 H GLU A 57 -4.348 -5.234 0.040 1.00 0.20 H new ATOM 0 HA GLU A 57 -2.657 -4.802 -2.269 1.00 0.25 H new ATOM 0 HB2 GLU A 57 -2.324 -7.105 -2.209 1.00 0.35 H new ATOM 0 HB3 GLU A 57 -2.110 -6.396 -0.621 1.00 0.35 H new ATOM 0 HG2 GLU A 57 -4.558 -7.221 -0.189 1.00 0.71 H new ATOM 0 HG3 GLU A 57 -4.281 -8.248 -1.582 1.00 0.71 H new ATOM 850 N SER A 58 -5.721 -5.880 -2.681 1.00 0.25 N ATOM 851 CA SER A 58 -6.852 -5.728 -3.571 1.00 0.30 C ATOM 852 C SER A 58 -6.897 -4.330 -4.204 1.00 0.28 C ATOM 853 O SER A 58 -7.053 -4.208 -5.416 1.00 0.34 O ATOM 854 CB SER A 58 -8.126 -5.996 -2.774 1.00 0.41 C ATOM 855 OG SER A 58 -8.205 -7.358 -2.407 1.00 1.96 O ATOM 0 H SER A 58 -5.953 -6.319 -1.790 1.00 0.25 H new ATOM 0 HA SER A 58 -6.759 -6.440 -4.391 1.00 0.30 H new ATOM 0 HB2 SER A 58 -8.141 -5.372 -1.881 1.00 0.41 H new ATOM 0 HB3 SER A 58 -8.998 -5.723 -3.369 1.00 0.41 H new ATOM 0 HG SER A 58 -7.813 -7.480 -1.517 1.00 1.96 H new ATOM 861 N ALA A 59 -6.773 -3.276 -3.396 1.00 0.25 N ATOM 862 CA ALA A 59 -6.935 -1.901 -3.857 1.00 0.28 C ATOM 863 C ALA A 59 -5.858 -1.554 -4.877 1.00 0.26 C ATOM 864 O ALA A 59 -6.158 -1.063 -5.958 1.00 0.29 O ATOM 865 CB ALA A 59 -6.899 -0.919 -2.684 1.00 0.31 C ATOM 0 H ALA A 59 -6.557 -3.354 -2.402 1.00 0.25 H new ATOM 0 HA ALA A 59 -7.911 -1.817 -4.336 1.00 0.28 H new ATOM 0 HB1 ALA A 59 -7.022 0.098 -3.057 1.00 0.31 H new ATOM 0 HB2 ALA A 59 -7.707 -1.151 -1.990 1.00 0.31 H new ATOM 0 HB3 ALA A 59 -5.942 -1.003 -2.168 1.00 0.31 H new ATOM 871 N LEU A 60 -4.601 -1.818 -4.534 1.00 0.22 N ATOM 872 CA LEU A 60 -3.457 -1.597 -5.402 1.00 0.21 C ATOM 873 C LEU A 60 -3.591 -2.405 -6.688 1.00 0.24 C ATOM 874 O LEU A 60 -3.400 -1.877 -7.783 1.00 0.27 O ATOM 875 CB LEU A 60 -2.179 -1.975 -4.649 1.00 0.18 C ATOM 876 CG LEU A 60 -1.499 -0.730 -4.073 1.00 0.23 C ATOM 877 CD1 LEU A 60 -2.388 0.013 -3.091 1.00 0.30 C ATOM 878 CD2 LEU A 60 -0.310 -1.108 -3.213 1.00 0.47 C ATOM 0 H LEU A 60 -4.347 -2.200 -3.623 1.00 0.22 H new ATOM 0 HA LEU A 60 -3.411 -0.544 -5.681 1.00 0.21 H new ATOM 0 HB2 LEU A 60 -2.418 -2.670 -3.844 1.00 0.18 H new ATOM 0 HB3 LEU A 60 -1.494 -2.491 -5.322 1.00 0.18 H new ATOM 0 HG LEU A 60 -1.243 -0.132 -4.947 1.00 0.23 H new ATOM 0 HD11 LEU A 60 -1.859 0.887 -2.711 1.00 0.30 H new ATOM 0 HD12 LEU A 60 -3.301 0.331 -3.595 1.00 0.30 H new ATOM 0 HD13 LEU A 60 -2.643 -0.646 -2.261 1.00 0.30 H new ATOM 0 HD21 LEU A 60 0.154 -0.205 -2.817 1.00 0.47 H new ATOM 0 HD22 LEU A 60 -0.643 -1.737 -2.387 1.00 0.47 H new ATOM 0 HD23 LEU A 60 0.416 -1.655 -3.815 1.00 0.47 H new ATOM 890 N GLN A 61 -3.921 -3.689 -6.561 1.00 0.29 N ATOM 891 CA GLN A 61 -4.090 -4.571 -7.700 1.00 0.38 C ATOM 892 C GLN A 61 -5.161 -3.989 -8.633 1.00 0.42 C ATOM 893 O GLN A 61 -4.961 -3.883 -9.839 1.00 0.48 O ATOM 894 CB GLN A 61 -4.450 -5.964 -7.173 1.00 0.38 C ATOM 895 CG GLN A 61 -4.047 -7.106 -8.110 1.00 0.89 C ATOM 896 CD GLN A 61 -2.541 -7.414 -8.128 1.00 2.47 C ATOM 897 OE1 GLN A 61 -1.931 -7.545 -9.186 1.00 4.31 O ATOM 898 NE2 GLN A 61 -1.926 -7.581 -6.957 1.00 2.41 N ATOM 0 H GLN A 61 -4.078 -4.142 -5.661 1.00 0.29 H new ATOM 0 HA GLN A 61 -3.174 -4.659 -8.285 1.00 0.38 H new ATOM 0 HB2 GLN A 61 -3.967 -6.112 -6.207 1.00 0.38 H new ATOM 0 HB3 GLN A 61 -5.526 -6.010 -7.002 1.00 0.38 H new ATOM 0 HG2 GLN A 61 -4.586 -8.007 -7.817 1.00 0.89 H new ATOM 0 HG3 GLN A 61 -4.367 -6.859 -9.122 1.00 0.89 H new ATOM 0 HE21 GLN A 61 -2.446 -7.469 -6.087 1.00 2.41 H new ATOM 0 HE22 GLN A 61 -0.935 -7.821 -6.931 1.00 2.41 H new ATOM 907 N LYS A 62 -6.287 -3.570 -8.051 1.00 0.43 N ATOM 908 CA LYS A 62 -7.412 -2.975 -8.755 1.00 0.49 C ATOM 909 C LYS A 62 -7.051 -1.616 -9.369 1.00 0.46 C ATOM 910 O LYS A 62 -7.515 -1.292 -10.458 1.00 0.56 O ATOM 911 CB LYS A 62 -8.593 -2.904 -7.785 1.00 0.67 C ATOM 912 CG LYS A 62 -9.920 -2.553 -8.464 1.00 1.33 C ATOM 913 CD LYS A 62 -11.037 -3.048 -7.538 1.00 1.75 C ATOM 914 CE LYS A 62 -12.446 -2.633 -7.980 1.00 3.00 C ATOM 915 NZ LYS A 62 -12.685 -1.184 -7.816 1.00 4.42 N ATOM 0 H LYS A 62 -6.440 -3.640 -7.045 1.00 0.43 H new ATOM 0 HA LYS A 62 -7.693 -3.595 -9.606 1.00 0.49 H new ATOM 0 HB2 LYS A 62 -8.696 -3.864 -7.279 1.00 0.67 H new ATOM 0 HB3 LYS A 62 -8.379 -2.160 -7.018 1.00 0.67 H new ATOM 0 HG2 LYS A 62 -9.999 -1.478 -8.625 1.00 1.33 H new ATOM 0 HG3 LYS A 62 -9.991 -3.028 -9.443 1.00 1.33 H new ATOM 0 HD2 LYS A 62 -10.991 -4.136 -7.480 1.00 1.75 H new ATOM 0 HD3 LYS A 62 -10.856 -2.668 -6.533 1.00 1.75 H new ATOM 0 HE2 LYS A 62 -12.591 -2.906 -9.025 1.00 3.00 H new ATOM 0 HE3 LYS A 62 -13.184 -3.188 -7.400 1.00 3.00 H new ATOM 0 HZ1 LYS A 62 -13.650 -0.954 -8.128 1.00 4.42 H new ATOM 0 HZ2 LYS A 62 -12.574 -0.925 -6.815 1.00 4.42 H new ATOM 0 HZ3 LYS A 62 -12.000 -0.652 -8.389 1.00 4.42 H new ATOM 929 N ALA A 63 -6.244 -0.813 -8.668 1.00 0.40 N ATOM 930 CA ALA A 63 -5.751 0.472 -9.149 1.00 0.43 C ATOM 931 C ALA A 63 -4.821 0.275 -10.348 1.00 0.41 C ATOM 932 O ALA A 63 -4.860 1.061 -11.292 1.00 0.51 O ATOM 933 CB ALA A 63 -5.039 1.219 -8.016 1.00 0.42 C ATOM 0 H ALA A 63 -5.911 -1.047 -7.733 1.00 0.40 H new ATOM 0 HA ALA A 63 -6.597 1.075 -9.478 1.00 0.43 H new ATOM 0 HB1 ALA A 63 -4.674 2.178 -8.385 1.00 0.42 H new ATOM 0 HB2 ALA A 63 -5.737 1.388 -7.196 1.00 0.42 H new ATOM 0 HB3 ALA A 63 -4.198 0.624 -7.660 1.00 0.42 H new ATOM 939 N GLY A 64 -3.998 -0.776 -10.304 1.00 0.37 N ATOM 940 CA GLY A 64 -3.165 -1.221 -11.415 1.00 0.43 C ATOM 941 C GLY A 64 -1.691 -1.355 -11.035 1.00 0.46 C ATOM 942 O GLY A 64 -0.816 -1.099 -11.859 1.00 0.50 O ATOM 0 H GLY A 64 -3.893 -1.354 -9.470 1.00 0.37 H new ATOM 0 HA2 GLY A 64 -3.531 -2.182 -11.775 1.00 0.43 H new ATOM 0 HA3 GLY A 64 -3.260 -0.515 -12.240 1.00 0.43 H new ATOM 946 N TYR A 65 -1.410 -1.774 -9.799 1.00 0.50 N ATOM 947 CA TYR A 65 -0.102 -2.204 -9.343 1.00 0.45 C ATOM 948 C TYR A 65 -0.122 -3.731 -9.253 1.00 0.47 C ATOM 949 O TYR A 65 -1.105 -4.359 -9.638 1.00 0.84 O ATOM 950 CB TYR A 65 0.196 -1.523 -8.006 1.00 0.38 C ATOM 951 CG TYR A 65 0.239 -0.011 -8.124 1.00 0.43 C ATOM 952 CD1 TYR A 65 1.379 0.618 -8.658 1.00 1.84 C ATOM 953 CD2 TYR A 65 -0.937 0.733 -7.922 1.00 1.88 C ATOM 954 CE1 TYR A 65 1.333 1.978 -9.016 1.00 1.79 C ATOM 955 CE2 TYR A 65 -0.991 2.084 -8.306 1.00 1.94 C ATOM 956 CZ TYR A 65 0.139 2.704 -8.859 1.00 0.53 C ATOM 957 OH TYR A 65 0.063 4.006 -9.257 1.00 0.72 O ATOM 0 H TYR A 65 -2.119 -1.822 -9.067 1.00 0.50 H new ATOM 0 HA TYR A 65 0.696 -1.920 -10.029 1.00 0.45 H new ATOM 0 HB2 TYR A 65 -0.565 -1.806 -7.279 1.00 0.38 H new ATOM 0 HB3 TYR A 65 1.151 -1.882 -7.623 1.00 0.38 H new ATOM 0 HD1 TYR A 65 2.291 0.056 -8.793 1.00 1.84 H new ATOM 0 HD2 TYR A 65 -1.800 0.266 -7.471 1.00 1.88 H new ATOM 0 HE1 TYR A 65 2.213 2.463 -9.411 1.00 1.79 H new ATOM 0 HE2 TYR A 65 -1.904 2.646 -8.175 1.00 1.94 H new ATOM 0 HH TYR A 65 -0.836 4.352 -9.075 1.00 0.72 H new ATOM 967 N SER A 66 0.964 -4.348 -8.782 1.00 0.46 N ATOM 968 CA SER A 66 1.047 -5.792 -8.682 1.00 0.51 C ATOM 969 C SER A 66 1.961 -6.099 -7.508 1.00 0.43 C ATOM 970 O SER A 66 3.145 -6.383 -7.669 1.00 0.60 O ATOM 971 CB SER A 66 1.498 -6.413 -10.010 1.00 0.73 C ATOM 972 OG SER A 66 1.080 -7.765 -10.067 1.00 1.86 O ATOM 0 H SER A 66 1.800 -3.858 -8.464 1.00 0.46 H new ATOM 0 HA SER A 66 0.073 -6.244 -8.494 1.00 0.51 H new ATOM 0 HB2 SER A 66 1.076 -5.855 -10.846 1.00 0.73 H new ATOM 0 HB3 SER A 66 2.582 -6.353 -10.102 1.00 0.73 H new ATOM 0 HG SER A 66 0.116 -7.817 -9.900 1.00 1.86 H new ATOM 978 N LEU A 67 1.396 -5.943 -6.310 1.00 0.30 N ATOM 979 CA LEU A 67 2.106 -6.201 -5.075 1.00 0.30 C ATOM 980 C LEU A 67 2.067 -7.670 -4.712 1.00 0.31 C ATOM 981 O LEU A 67 1.313 -8.451 -5.294 1.00 0.36 O ATOM 982 CB LEU A 67 1.640 -5.259 -3.947 1.00 0.33 C ATOM 983 CG LEU A 67 0.292 -5.549 -3.266 1.00 0.49 C ATOM 984 CD1 LEU A 67 0.372 -6.837 -2.451 1.00 2.10 C ATOM 985 CD2 LEU A 67 -0.028 -4.374 -2.334 1.00 2.00 C ATOM 0 H LEU A 67 0.433 -5.634 -6.178 1.00 0.30 H new ATOM 0 HA LEU A 67 3.160 -5.968 -5.227 1.00 0.30 H new ATOM 0 HB2 LEU A 67 2.409 -5.259 -3.175 1.00 0.33 H new ATOM 0 HB3 LEU A 67 1.596 -4.249 -4.354 1.00 0.33 H new ATOM 0 HG LEU A 67 -0.486 -5.669 -4.020 1.00 0.49 H new ATOM 0 HD11 LEU A 67 -0.590 -7.027 -1.976 1.00 2.10 H new ATOM 0 HD12 LEU A 67 0.623 -7.669 -3.109 1.00 2.10 H new ATOM 0 HD13 LEU A 67 1.141 -6.736 -1.685 1.00 2.10 H new ATOM 0 HD21 LEU A 67 -0.981 -4.553 -1.837 1.00 2.00 H new ATOM 0 HD22 LEU A 67 0.759 -4.278 -1.586 1.00 2.00 H new ATOM 0 HD23 LEU A 67 -0.090 -3.454 -2.916 1.00 2.00 H new ATOM 997 N ARG A 68 2.864 -8.016 -3.704 1.00 0.35 N ATOM 998 CA ARG A 68 2.777 -9.284 -3.021 1.00 0.40 C ATOM 999 C ARG A 68 2.904 -9.046 -1.516 1.00 0.36 C ATOM 1000 O ARG A 68 3.530 -8.069 -1.094 1.00 0.39 O ATOM 1001 CB ARG A 68 3.878 -10.190 -3.568 1.00 0.47 C ATOM 1002 CG ARG A 68 3.856 -11.596 -2.980 1.00 0.62 C ATOM 1003 CD ARG A 68 2.646 -12.405 -3.460 1.00 1.26 C ATOM 1004 NE ARG A 68 2.507 -13.626 -2.654 1.00 1.89 N ATOM 1005 CZ ARG A 68 2.188 -14.843 -3.115 1.00 2.58 C ATOM 1006 NH1 ARG A 68 1.787 -15.004 -4.385 1.00 3.06 N ATOM 1007 NH2 ARG A 68 2.279 -15.895 -2.299 1.00 3.49 N ATOM 0 H ARG A 68 3.597 -7.407 -3.340 1.00 0.35 H new ATOM 0 HA ARG A 68 1.818 -9.774 -3.191 1.00 0.40 H new ATOM 0 HB2 ARG A 68 3.778 -10.256 -4.651 1.00 0.47 H new ATOM 0 HB3 ARG A 68 4.847 -9.735 -3.364 1.00 0.47 H new ATOM 0 HG2 ARG A 68 4.772 -12.118 -3.256 1.00 0.62 H new ATOM 0 HG3 ARG A 68 3.840 -11.533 -1.892 1.00 0.62 H new ATOM 0 HD2 ARG A 68 1.741 -11.803 -3.382 1.00 1.26 H new ATOM 0 HD3 ARG A 68 2.766 -12.665 -4.512 1.00 1.26 H new ATOM 0 HE ARG A 68 2.668 -13.539 -1.651 1.00 1.89 H new ATOM 0 HH11 ARG A 68 1.724 -14.197 -5.006 1.00 3.06 H new ATOM 0 HH12 ARG A 68 1.546 -15.933 -4.730 1.00 3.06 H new ATOM 0 HH21 ARG A 68 2.589 -15.768 -1.336 1.00 3.49 H new ATOM 0 HH22 ARG A 68 2.039 -16.826 -2.639 1.00 3.49 H new ATOM 1021 N ASP A 69 2.284 -9.942 -0.739 1.00 0.53 N ATOM 1022 CA ASP A 69 2.371 -10.008 0.711 1.00 0.64 C ATOM 1023 C ASP A 69 3.826 -9.891 1.177 1.00 0.49 C ATOM 1024 O ASP A 69 4.734 -10.409 0.523 1.00 0.81 O ATOM 1025 CB ASP A 69 1.697 -11.297 1.205 1.00 0.97 C ATOM 1026 CG ASP A 69 2.608 -12.521 1.091 1.00 2.81 C ATOM 1027 OD1 ASP A 69 2.577 -13.162 0.009 1.00 4.39 O ATOM 1028 OD2 ASP A 69 3.315 -12.784 2.094 1.00 3.42 O ATOM 0 H ASP A 69 1.684 -10.669 -1.128 1.00 0.53 H new ATOM 0 HA ASP A 69 1.840 -9.163 1.149 1.00 0.64 H new ATOM 0 HB2 ASP A 69 1.396 -11.169 2.245 1.00 0.97 H new ATOM 0 HB3 ASP A 69 0.788 -11.471 0.629 1.00 0.97 H new ATOM 1033 N GLU A 70 4.039 -9.183 2.291 1.00 0.62 N ATOM 1034 CA GLU A 70 5.339 -9.101 2.936 1.00 0.55 C ATOM 1035 C GLU A 70 5.143 -9.164 4.455 1.00 0.64 C ATOM 1036 O GLU A 70 5.727 -8.383 5.208 1.00 0.69 O ATOM 1037 CB GLU A 70 6.019 -7.795 2.485 1.00 0.68 C ATOM 1038 CG GLU A 70 7.435 -8.013 1.965 1.00 0.88 C ATOM 1039 CD GLU A 70 8.171 -6.700 1.702 1.00 1.13 C ATOM 1040 OE1 GLU A 70 7.628 -5.627 2.062 1.00 2.52 O ATOM 1041 OE2 GLU A 70 9.291 -6.788 1.157 1.00 1.75 O ATOM 0 H GLU A 70 3.309 -8.652 2.766 1.00 0.62 H new ATOM 0 HA GLU A 70 5.983 -9.934 2.654 1.00 0.55 H new ATOM 0 HB2 GLU A 70 5.418 -7.329 1.704 1.00 0.68 H new ATOM 0 HB3 GLU A 70 6.048 -7.098 3.323 1.00 0.68 H new ATOM 0 HG2 GLU A 70 7.998 -8.602 2.689 1.00 0.88 H new ATOM 0 HG3 GLU A 70 7.395 -8.594 1.044 1.00 0.88 H new ATOM 1048 N GLN A 71 4.401 -10.182 4.904 1.00 0.78 N ATOM 1049 CA GLN A 71 4.276 -10.504 6.322 1.00 0.91 C ATOM 1050 C GLN A 71 3.825 -9.286 7.160 1.00 0.41 C ATOM 1051 O GLN A 71 3.287 -8.325 6.604 1.00 1.10 O ATOM 1052 CB GLN A 71 5.535 -11.236 6.800 1.00 1.65 C ATOM 1053 CG GLN A 71 5.907 -12.409 5.870 1.00 2.26 C ATOM 1054 CD GLN A 71 4.805 -13.470 5.789 1.00 2.97 C ATOM 1055 OE1 GLN A 71 4.604 -14.209 6.747 1.00 3.99 O ATOM 1056 NE2 GLN A 71 4.070 -13.590 4.680 1.00 2.95 N ATOM 0 H GLN A 71 3.872 -10.803 4.292 1.00 0.78 H new ATOM 0 HA GLN A 71 3.459 -11.209 6.478 1.00 0.91 H new ATOM 0 HB2 GLN A 71 6.367 -10.533 6.849 1.00 1.65 H new ATOM 0 HB3 GLN A 71 5.375 -11.611 7.811 1.00 1.65 H new ATOM 0 HG2 GLN A 71 6.110 -12.025 4.870 1.00 2.26 H new ATOM 0 HG3 GLN A 71 6.827 -12.873 6.226 1.00 2.26 H new ATOM 0 HE21 GLN A 71 4.241 -12.973 3.886 1.00 2.95 H new ATOM 0 HE22 GLN A 71 3.338 -14.298 4.627 1.00 2.95 H new ATOM 1065 N ALA A 72 3.873 -9.362 8.497 1.00 0.73 N ATOM 1066 CA ALA A 72 3.277 -8.357 9.376 1.00 1.14 C ATOM 1067 C ALA A 72 4.334 -7.795 10.325 1.00 1.14 C ATOM 1068 O ALA A 72 4.219 -7.945 11.539 1.00 1.68 O ATOM 1069 CB ALA A 72 2.088 -8.974 10.120 1.00 1.90 C ATOM 0 H ALA A 72 4.328 -10.126 8.997 1.00 0.73 H new ATOM 0 HA ALA A 72 2.901 -7.519 8.789 1.00 1.14 H new ATOM 0 HB1 ALA A 72 1.642 -8.227 10.776 1.00 1.90 H new ATOM 0 HB2 ALA A 72 1.345 -9.314 9.399 1.00 1.90 H new ATOM 0 HB3 ALA A 72 2.431 -9.821 10.715 1.00 1.90 H new ATOM 1075 N ALA A 73 5.344 -7.128 9.752 1.00 1.02 N ATOM 1076 CA ALA A 73 6.561 -6.715 10.443 1.00 1.44 C ATOM 1077 C ALA A 73 7.281 -7.963 10.937 1.00 1.75 C ATOM 1078 O ALA A 73 7.342 -8.200 12.140 1.00 2.54 O ATOM 1079 CB ALA A 73 6.292 -5.723 11.587 1.00 1.89 C ATOM 0 H ALA A 73 5.332 -6.856 8.769 1.00 1.02 H new ATOM 0 HA ALA A 73 7.195 -6.174 9.740 1.00 1.44 H new ATOM 0 HB1 ALA A 73 7.234 -5.452 12.063 1.00 1.89 H new ATOM 0 HB2 ALA A 73 5.817 -4.827 11.187 1.00 1.89 H new ATOM 0 HB3 ALA A 73 5.634 -6.185 12.322 1.00 1.89 H new ATOM 1085 N GLU A 74 7.802 -8.730 9.975 1.00 2.66 N ATOM 1086 CA GLU A 74 8.187 -10.116 10.172 1.00 3.59 C ATOM 1087 C GLU A 74 6.916 -10.906 10.526 1.00 4.65 C ATOM 1088 O GLU A 74 7.021 -11.861 11.325 1.00 5.55 O ATOM 1089 CB GLU A 74 9.366 -10.230 11.164 1.00 3.82 C ATOM 1090 CG GLU A 74 10.626 -9.540 10.601 1.00 4.73 C ATOM 1091 CD GLU A 74 11.560 -9.036 11.695 1.00 5.64 C ATOM 1092 OE1 GLU A 74 12.213 -9.891 12.331 1.00 6.44 O ATOM 1093 OE2 GLU A 74 11.617 -7.796 11.859 1.00 6.20 O ATOM 1094 OXT GLU A 74 5.854 -10.549 9.952 1.00 5.52 O ATOM 0 H GLU A 74 7.968 -8.393 9.026 1.00 2.66 H new ATOM 0 HA GLU A 74 8.591 -10.568 9.266 1.00 3.59 H new ATOM 0 HB2 GLU A 74 9.091 -9.775 12.116 1.00 3.82 H new ATOM 0 HB3 GLU A 74 9.579 -11.280 11.363 1.00 3.82 H new ATOM 0 HG2 GLU A 74 11.165 -10.241 9.964 1.00 4.73 H new ATOM 0 HG3 GLU A 74 10.326 -8.703 9.971 1.00 4.73 H new TER 1101 GLU A 74 HETATM 1102 ZN ZN A 75 4.492 6.346 -12.473 1.00 0.78 ZN