USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 607 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 SER N :NH3+ -128:sc= 0.141 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0153 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0193 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.0044) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00648) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 145:sc= -0.307! USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ -167:sc= 0.305 (180deg=0.175) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -10.953 -10.164 -7.056 1.00 0.00 N ATOM 2 CA SER A 1 -10.429 -8.772 -7.151 1.00 0.00 C ATOM 3 C SER A 1 -9.300 -8.720 -8.182 1.00 0.00 C ATOM 4 O SER A 1 -8.999 -9.699 -8.835 1.00 0.00 O ATOM 5 CB SER A 1 -9.894 -8.336 -5.786 1.00 0.00 C ATOM 6 OG SER A 1 -8.975 -9.311 -5.309 1.00 0.00 O ATOM 0 H1 SER A 1 -11.987 -10.154 -7.171 1.00 0.00 H new ATOM 0 H2 SER A 1 -10.527 -10.747 -7.804 1.00 0.00 H new ATOM 0 H3 SER A 1 -10.712 -10.563 -6.126 1.00 0.00 H new ATOM 0 HA SER A 1 -11.232 -8.102 -7.459 1.00 0.00 H new ATOM 0 HB2 SER A 1 -9.403 -7.366 -5.868 1.00 0.00 H new ATOM 0 HB3 SER A 1 -10.717 -8.219 -5.081 1.00 0.00 H new ATOM 0 HG SER A 1 -8.629 -9.034 -4.435 1.00 0.00 H new ATOM 14 N GLU A 2 -8.673 -7.586 -8.332 1.00 0.00 N ATOM 15 CA GLU A 2 -7.564 -7.474 -9.322 1.00 0.00 C ATOM 16 C GLU A 2 -6.292 -7.011 -8.610 1.00 0.00 C ATOM 17 O GLU A 2 -6.342 -6.391 -7.567 1.00 0.00 O ATOM 18 CB GLU A 2 -7.944 -6.456 -10.400 1.00 0.00 C ATOM 19 CG GLU A 2 -8.320 -7.193 -11.688 1.00 0.00 C ATOM 20 CD GLU A 2 -7.100 -7.269 -12.607 1.00 0.00 C ATOM 21 OE1 GLU A 2 -6.445 -6.253 -12.774 1.00 0.00 O ATOM 22 OE2 GLU A 2 -6.841 -8.341 -13.128 1.00 0.00 O ATOM 0 H GLU A 2 -8.880 -6.733 -7.813 1.00 0.00 H new ATOM 0 HA GLU A 2 -7.389 -8.445 -9.785 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -8.781 -5.846 -10.060 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -7.110 -5.779 -10.586 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -8.676 -8.197 -11.455 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -9.136 -6.674 -12.191 1.00 0.00 H new ATOM 29 N ILE A 3 -5.149 -7.308 -9.167 1.00 0.00 N ATOM 30 CA ILE A 3 -3.874 -6.885 -8.522 1.00 0.00 C ATOM 31 C ILE A 3 -3.131 -5.918 -9.446 1.00 0.00 C ATOM 32 O ILE A 3 -3.198 -6.023 -10.654 1.00 0.00 O ATOM 33 CB ILE A 3 -3.001 -8.115 -8.264 1.00 0.00 C ATOM 34 CG1 ILE A 3 -3.625 -8.957 -7.149 1.00 0.00 C ATOM 35 CG2 ILE A 3 -1.601 -7.667 -7.839 1.00 0.00 C ATOM 36 CD1 ILE A 3 -4.079 -10.303 -7.718 1.00 0.00 C ATOM 0 H ILE A 3 -5.044 -7.825 -10.040 1.00 0.00 H new ATOM 0 HA ILE A 3 -4.092 -6.389 -7.576 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.932 -8.709 -9.175 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -2.901 -9.114 -6.349 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -4.473 -8.430 -6.712 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.979 -8.543 -7.655 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -1.155 -7.065 -8.631 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -1.670 -7.073 -6.928 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -4.523 -10.903 -6.924 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -4.817 -10.136 -8.503 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -3.220 -10.831 -8.134 1.00 0.00 H new ATOM 48 N ILE A 4 -2.423 -4.974 -8.887 1.00 0.00 N ATOM 49 CA ILE A 4 -1.678 -4.001 -9.734 1.00 0.00 C ATOM 50 C ILE A 4 -0.199 -4.012 -9.342 1.00 0.00 C ATOM 51 O ILE A 4 0.168 -3.610 -8.255 1.00 0.00 O ATOM 52 CB ILE A 4 -2.252 -2.598 -9.524 1.00 0.00 C ATOM 53 CG1 ILE A 4 -3.736 -2.595 -9.899 1.00 0.00 C ATOM 54 CG2 ILE A 4 -1.501 -1.602 -10.408 1.00 0.00 C ATOM 55 CD1 ILE A 4 -3.907 -3.155 -11.312 1.00 0.00 C ATOM 0 H ILE A 4 -2.329 -4.835 -7.881 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.778 -4.281 -10.783 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.140 -2.311 -8.478 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -4.303 -3.195 -9.187 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.133 -1.581 -9.848 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.910 -0.603 -10.259 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.444 -1.605 -10.143 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.613 -1.887 -11.454 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -4.964 -3.153 -11.579 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -3.353 -2.536 -12.018 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.526 -4.176 -11.347 1.00 0.00 H new ATOM 67 N ARG A 5 0.653 -4.468 -10.217 1.00 0.00 N ATOM 68 CA ARG A 5 2.108 -4.502 -9.894 1.00 0.00 C ATOM 69 C ARG A 5 2.805 -3.316 -10.561 1.00 0.00 C ATOM 70 O ARG A 5 2.215 -2.592 -11.337 1.00 0.00 O ATOM 71 CB ARG A 5 2.714 -5.808 -10.413 1.00 0.00 C ATOM 72 CG ARG A 5 2.609 -5.850 -11.938 1.00 0.00 C ATOM 73 CD ARG A 5 3.147 -7.188 -12.451 1.00 0.00 C ATOM 74 NE ARG A 5 3.523 -7.054 -13.886 1.00 0.00 N ATOM 75 CZ ARG A 5 3.858 -8.111 -14.575 1.00 0.00 C ATOM 76 NH1 ARG A 5 4.192 -9.212 -13.958 1.00 0.00 N ATOM 77 NH2 ARG A 5 3.858 -8.068 -15.878 1.00 0.00 N ATOM 0 H ARG A 5 0.405 -4.819 -11.142 1.00 0.00 H new ATOM 0 HA ARG A 5 2.243 -4.442 -8.814 1.00 0.00 H new ATOM 0 HB2 ARG A 5 3.758 -5.883 -10.108 1.00 0.00 H new ATOM 0 HB3 ARG A 5 2.193 -6.661 -9.979 1.00 0.00 H new ATOM 0 HG2 ARG A 5 1.571 -5.722 -12.245 1.00 0.00 H new ATOM 0 HG3 ARG A 5 3.175 -5.027 -12.375 1.00 0.00 H new ATOM 0 HD2 ARG A 5 4.013 -7.493 -11.864 1.00 0.00 H new ATOM 0 HD3 ARG A 5 2.392 -7.965 -12.333 1.00 0.00 H new ATOM 0 HE ARG A 5 3.519 -6.136 -14.331 1.00 0.00 H new ATOM 0 HH11 ARG A 5 4.191 -9.246 -12.939 1.00 0.00 H new ATOM 0 HH12 ARG A 5 4.454 -10.038 -14.495 1.00 0.00 H new ATOM 0 HH21 ARG A 5 3.596 -7.208 -16.360 1.00 0.00 H new ATOM 0 HH22 ARG A 5 4.120 -8.894 -16.416 1.00 0.00 H new ATOM 91 N VAL A 6 4.060 -3.111 -10.265 1.00 0.00 N ATOM 92 CA VAL A 6 4.793 -1.970 -10.883 1.00 0.00 C ATOM 93 C VAL A 6 4.832 -2.154 -12.404 1.00 0.00 C ATOM 94 O VAL A 6 4.973 -3.261 -12.886 1.00 0.00 O ATOM 95 CB VAL A 6 6.223 -1.930 -10.336 1.00 0.00 C ATOM 96 CG1 VAL A 6 7.034 -0.879 -11.097 1.00 0.00 C ATOM 97 CG2 VAL A 6 6.188 -1.568 -8.851 1.00 0.00 C ATOM 0 H VAL A 6 4.608 -3.683 -9.623 1.00 0.00 H new ATOM 0 HA VAL A 6 4.285 -1.036 -10.643 1.00 0.00 H new ATOM 0 HB VAL A 6 6.688 -2.908 -10.463 1.00 0.00 H new ATOM 0 HG11 VAL A 6 8.051 -0.852 -10.707 1.00 0.00 H new ATOM 0 HG12 VAL A 6 7.058 -1.135 -12.156 1.00 0.00 H new ATOM 0 HG13 VAL A 6 6.571 0.100 -10.971 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.205 -1.539 -8.460 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.723 -0.590 -8.726 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.611 -2.316 -8.308 1.00 0.00 H new ATOM 107 N PRO A 7 4.705 -1.062 -13.115 1.00 0.00 N ATOM 108 CA PRO A 7 4.722 -1.070 -14.589 1.00 0.00 C ATOM 109 C PRO A 7 6.157 -1.193 -15.106 1.00 0.00 C ATOM 110 O PRO A 7 7.082 -1.426 -14.353 1.00 0.00 O ATOM 111 CB PRO A 7 4.121 0.288 -14.962 1.00 0.00 C ATOM 112 CG PRO A 7 4.321 1.206 -13.731 1.00 0.00 C ATOM 113 CD PRO A 7 4.533 0.279 -12.520 1.00 0.00 C ATOM 0 HA PRO A 7 4.172 -1.907 -15.020 1.00 0.00 H new ATOM 0 HB2 PRO A 7 4.615 0.703 -15.841 1.00 0.00 H new ATOM 0 HB3 PRO A 7 3.063 0.191 -15.207 1.00 0.00 H new ATOM 0 HG2 PRO A 7 5.180 1.861 -13.872 1.00 0.00 H new ATOM 0 HG3 PRO A 7 3.452 1.847 -13.581 1.00 0.00 H new ATOM 0 HD2 PRO A 7 5.409 0.573 -11.942 1.00 0.00 H new ATOM 0 HD3 PRO A 7 3.680 0.308 -11.843 1.00 0.00 H new ATOM 121 N ASP A 8 6.351 -1.038 -16.388 1.00 0.00 N ATOM 122 CA ASP A 8 7.725 -1.146 -16.952 1.00 0.00 C ATOM 123 C ASP A 8 8.433 0.206 -16.830 1.00 0.00 C ATOM 124 O ASP A 8 8.182 1.119 -17.590 1.00 0.00 O ATOM 125 CB ASP A 8 7.642 -1.546 -18.426 1.00 0.00 C ATOM 126 CG ASP A 8 9.052 -1.777 -18.974 1.00 0.00 C ATOM 127 OD1 ASP A 8 9.593 -2.842 -18.731 1.00 0.00 O ATOM 128 OD2 ASP A 8 9.566 -0.885 -19.627 1.00 0.00 O ATOM 0 H ASP A 8 5.617 -0.841 -17.068 1.00 0.00 H new ATOM 0 HA ASP A 8 8.285 -1.902 -16.402 1.00 0.00 H new ATOM 0 HB2 ASP A 8 7.046 -2.452 -18.535 1.00 0.00 H new ATOM 0 HB3 ASP A 8 7.142 -0.764 -18.998 1.00 0.00 H new ATOM 133 N ILE A 9 9.314 0.340 -15.877 1.00 0.00 N ATOM 134 CA ILE A 9 10.036 1.634 -15.706 1.00 0.00 C ATOM 135 C ILE A 9 11.459 1.494 -16.249 1.00 0.00 C ATOM 136 O ILE A 9 11.983 2.389 -16.881 1.00 0.00 O ATOM 137 CB ILE A 9 10.098 2.022 -14.220 1.00 0.00 C ATOM 138 CG1 ILE A 9 9.448 0.936 -13.354 1.00 0.00 C ATOM 139 CG2 ILE A 9 9.356 3.343 -14.010 1.00 0.00 C ATOM 140 CD1 ILE A 9 9.538 1.337 -11.880 1.00 0.00 C ATOM 0 H ILE A 9 9.565 -0.389 -15.210 1.00 0.00 H new ATOM 0 HA ILE A 9 9.501 2.411 -16.252 1.00 0.00 H new ATOM 0 HB ILE A 9 11.143 2.129 -13.929 1.00 0.00 H new ATOM 0 HG12 ILE A 9 8.405 0.802 -13.642 1.00 0.00 H new ATOM 0 HG13 ILE A 9 9.948 -0.019 -13.513 1.00 0.00 H new ATOM 0 HG21 ILE A 9 9.398 3.621 -12.957 1.00 0.00 H new ATOM 0 HG22 ILE A 9 9.825 4.123 -14.610 1.00 0.00 H new ATOM 0 HG23 ILE A 9 8.315 3.228 -14.313 1.00 0.00 H new ATOM 0 HD11 ILE A 9 9.076 0.565 -11.264 1.00 0.00 H new ATOM 0 HD12 ILE A 9 10.585 1.449 -11.597 1.00 0.00 H new ATOM 0 HD13 ILE A 9 9.018 2.283 -11.728 1.00 0.00 H new ATOM 152 N GLY A 10 12.089 0.377 -16.006 1.00 0.00 N ATOM 153 CA GLY A 10 13.478 0.181 -16.509 1.00 0.00 C ATOM 154 C GLY A 10 14.469 0.811 -15.528 1.00 0.00 C ATOM 155 O GLY A 10 15.533 1.258 -15.907 1.00 0.00 O ATOM 0 H GLY A 10 11.702 -0.408 -15.481 1.00 0.00 H new ATOM 0 HA2 GLY A 10 13.688 -0.882 -16.623 1.00 0.00 H new ATOM 0 HA3 GLY A 10 13.587 0.634 -17.494 1.00 0.00 H new ATOM 159 N GLY A 11 14.129 0.846 -14.269 1.00 0.00 N ATOM 160 CA GLY A 11 15.052 1.447 -13.264 1.00 0.00 C ATOM 161 C GLY A 11 14.629 1.016 -11.860 1.00 0.00 C ATOM 162 O GLY A 11 14.450 -0.155 -11.586 1.00 0.00 O ATOM 0 H GLY A 11 13.253 0.485 -13.892 1.00 0.00 H new ATOM 0 HA2 GLY A 11 16.076 1.130 -13.460 1.00 0.00 H new ATOM 0 HA3 GLY A 11 15.034 2.534 -13.343 1.00 0.00 H new ATOM 166 N ASP A 12 14.468 1.952 -10.965 1.00 0.00 N ATOM 167 CA ASP A 12 14.056 1.595 -9.578 1.00 0.00 C ATOM 168 C ASP A 12 12.976 2.567 -9.100 1.00 0.00 C ATOM 169 O ASP A 12 13.076 3.763 -9.291 1.00 0.00 O ATOM 170 CB ASP A 12 15.268 1.680 -8.648 1.00 0.00 C ATOM 171 CG ASP A 12 15.859 3.090 -8.707 1.00 0.00 C ATOM 172 OD1 ASP A 12 16.025 3.596 -9.805 1.00 0.00 O ATOM 173 OD2 ASP A 12 16.135 3.640 -7.654 1.00 0.00 O ATOM 0 H ASP A 12 14.604 2.949 -11.134 1.00 0.00 H new ATOM 0 HA ASP A 12 13.660 0.579 -9.567 1.00 0.00 H new ATOM 0 HB2 ASP A 12 14.973 1.440 -7.626 1.00 0.00 H new ATOM 0 HB3 ASP A 12 16.019 0.947 -8.944 1.00 0.00 H new ATOM 178 N GLY A 13 11.944 2.064 -8.479 1.00 0.00 N ATOM 179 CA GLY A 13 10.858 2.960 -7.990 1.00 0.00 C ATOM 180 C GLY A 13 10.815 2.924 -6.462 1.00 0.00 C ATOM 181 O GLY A 13 10.462 1.927 -5.865 1.00 0.00 O ATOM 0 H GLY A 13 11.806 1.071 -8.289 1.00 0.00 H new ATOM 0 HA2 GLY A 13 11.030 3.979 -8.335 1.00 0.00 H new ATOM 0 HA3 GLY A 13 9.899 2.643 -8.399 1.00 0.00 H new ATOM 185 N GLU A 14 11.171 4.005 -5.823 1.00 0.00 N ATOM 186 CA GLU A 14 11.149 4.032 -4.334 1.00 0.00 C ATOM 187 C GLU A 14 9.894 4.765 -3.856 1.00 0.00 C ATOM 188 O GLU A 14 9.556 5.823 -4.349 1.00 0.00 O ATOM 189 CB GLU A 14 12.393 4.759 -3.818 1.00 0.00 C ATOM 190 CG GLU A 14 12.949 4.019 -2.601 1.00 0.00 C ATOM 191 CD GLU A 14 14.106 4.820 -2.001 1.00 0.00 C ATOM 192 OE1 GLU A 14 14.304 5.947 -2.426 1.00 0.00 O ATOM 193 OE2 GLU A 14 14.773 4.295 -1.125 1.00 0.00 O ATOM 0 H GLU A 14 11.476 4.870 -6.268 1.00 0.00 H new ATOM 0 HA GLU A 14 11.141 3.011 -3.952 1.00 0.00 H new ATOM 0 HB2 GLU A 14 13.149 4.810 -4.602 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.142 5.785 -3.549 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.165 3.880 -1.857 1.00 0.00 H new ATOM 0 HG3 GLU A 14 13.292 3.026 -2.891 1.00 0.00 H new ATOM 200 N VAL A 15 9.200 4.212 -2.899 1.00 0.00 N ATOM 201 CA VAL A 15 7.969 4.878 -2.390 1.00 0.00 C ATOM 202 C VAL A 15 8.356 6.110 -1.569 1.00 0.00 C ATOM 203 O VAL A 15 9.309 6.090 -0.817 1.00 0.00 O ATOM 204 CB VAL A 15 7.188 3.902 -1.509 1.00 0.00 C ATOM 205 CG1 VAL A 15 5.770 4.433 -1.291 1.00 0.00 C ATOM 206 CG2 VAL A 15 7.120 2.537 -2.198 1.00 0.00 C ATOM 0 H VAL A 15 9.433 3.327 -2.448 1.00 0.00 H new ATOM 0 HA VAL A 15 7.348 5.184 -3.232 1.00 0.00 H new ATOM 0 HB VAL A 15 7.690 3.800 -0.547 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.213 3.737 -0.663 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.817 5.406 -0.801 1.00 0.00 H new ATOM 0 HG13 VAL A 15 5.268 4.535 -2.253 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.564 1.840 -1.571 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.618 2.640 -3.160 1.00 0.00 H new ATOM 0 HG23 VAL A 15 8.130 2.158 -2.354 1.00 0.00 H new ATOM 216 N ILE A 16 7.623 7.180 -1.708 1.00 0.00 N ATOM 217 CA ILE A 16 7.951 8.412 -0.934 1.00 0.00 C ATOM 218 C ILE A 16 7.014 8.522 0.270 1.00 0.00 C ATOM 219 O ILE A 16 7.417 8.906 1.349 1.00 0.00 O ATOM 220 CB ILE A 16 7.775 9.638 -1.830 1.00 0.00 C ATOM 221 CG1 ILE A 16 8.818 9.604 -2.951 1.00 0.00 C ATOM 222 CG2 ILE A 16 7.964 10.909 -1.000 1.00 0.00 C ATOM 223 CD1 ILE A 16 8.784 10.925 -3.721 1.00 0.00 C ATOM 0 H ILE A 16 6.812 7.255 -2.323 1.00 0.00 H new ATOM 0 HA ILE A 16 8.983 8.360 -0.588 1.00 0.00 H new ATOM 0 HB ILE A 16 6.774 9.631 -2.262 1.00 0.00 H new ATOM 0 HG12 ILE A 16 9.811 9.440 -2.533 1.00 0.00 H new ATOM 0 HG13 ILE A 16 8.615 8.772 -3.626 1.00 0.00 H new ATOM 0 HG21 ILE A 16 7.838 11.783 -1.639 1.00 0.00 H new ATOM 0 HG22 ILE A 16 7.224 10.935 -0.200 1.00 0.00 H new ATOM 0 HG23 ILE A 16 8.965 10.916 -0.568 1.00 0.00 H new ATOM 0 HD11 ILE A 16 9.526 10.900 -4.519 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.793 11.070 -4.152 1.00 0.00 H new ATOM 0 HD13 ILE A 16 9.008 11.748 -3.042 1.00 0.00 H new ATOM 235 N GLU A 17 5.765 8.186 0.095 1.00 0.00 N ATOM 236 CA GLU A 17 4.803 8.273 1.229 1.00 0.00 C ATOM 237 C GLU A 17 3.539 7.483 0.888 1.00 0.00 C ATOM 238 O GLU A 17 3.466 6.815 -0.125 1.00 0.00 O ATOM 239 CB GLU A 17 4.439 9.737 1.479 1.00 0.00 C ATOM 240 CG GLU A 17 4.531 10.040 2.976 1.00 0.00 C ATOM 241 CD GLU A 17 5.384 11.291 3.193 1.00 0.00 C ATOM 242 OE1 GLU A 17 5.334 12.171 2.350 1.00 0.00 O ATOM 243 OE2 GLU A 17 6.073 11.347 4.198 1.00 0.00 O ATOM 0 H GLU A 17 5.369 7.855 -0.785 1.00 0.00 H new ATOM 0 HA GLU A 17 5.261 7.855 2.126 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.112 10.390 0.923 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.430 9.938 1.118 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.534 10.191 3.389 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.969 9.192 3.503 1.00 0.00 H new ATOM 250 N LEU A 18 2.540 7.554 1.725 1.00 0.00 N ATOM 251 CA LEU A 18 1.281 6.806 1.448 1.00 0.00 C ATOM 252 C LEU A 18 0.078 7.702 1.752 1.00 0.00 C ATOM 253 O LEU A 18 -0.292 7.894 2.894 1.00 0.00 O ATOM 254 CB LEU A 18 1.223 5.558 2.332 1.00 0.00 C ATOM 255 CG LEU A 18 0.911 4.334 1.470 1.00 0.00 C ATOM 256 CD1 LEU A 18 2.102 4.036 0.556 1.00 0.00 C ATOM 257 CD2 LEU A 18 0.649 3.129 2.374 1.00 0.00 C ATOM 0 H LEU A 18 2.541 8.097 2.588 1.00 0.00 H new ATOM 0 HA LEU A 18 1.258 6.510 0.399 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.174 5.420 2.847 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.459 5.679 3.100 1.00 0.00 H new ATOM 0 HG LEU A 18 0.028 4.533 0.863 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.880 3.164 -0.058 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.290 4.895 -0.088 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.985 3.837 1.163 1.00 0.00 H new ATOM 0 HD21 LEU A 18 0.426 2.256 1.761 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.532 2.931 2.981 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.199 3.340 3.026 1.00 0.00 H new ATOM 269 N LEU A 19 -0.534 8.253 0.740 1.00 0.00 N ATOM 270 CA LEU A 19 -1.711 9.137 0.974 1.00 0.00 C ATOM 271 C LEU A 19 -2.998 8.325 0.817 1.00 0.00 C ATOM 272 O LEU A 19 -4.030 8.844 0.440 1.00 0.00 O ATOM 273 CB LEU A 19 -1.701 10.279 -0.045 1.00 0.00 C ATOM 274 CG LEU A 19 -1.690 9.701 -1.461 1.00 0.00 C ATOM 275 CD1 LEU A 19 -3.033 9.979 -2.136 1.00 0.00 C ATOM 276 CD2 LEU A 19 -0.569 10.358 -2.269 1.00 0.00 C ATOM 0 H LEU A 19 -0.271 8.130 -0.238 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.662 9.549 1.982 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.578 10.912 0.094 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.825 10.909 0.108 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.523 8.625 -1.413 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.025 9.567 -3.145 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.833 9.513 -1.560 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.200 11.055 -2.185 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.559 9.947 -3.279 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.737 11.434 -2.316 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.389 10.161 -1.788 1.00 0.00 H new ATOM 288 N VAL A 20 -2.946 7.052 1.103 1.00 0.00 N ATOM 289 CA VAL A 20 -4.167 6.209 0.970 1.00 0.00 C ATOM 290 C VAL A 20 -4.329 5.344 2.222 1.00 0.00 C ATOM 291 O VAL A 20 -3.387 5.115 2.954 1.00 0.00 O ATOM 292 CB VAL A 20 -4.033 5.308 -0.259 1.00 0.00 C ATOM 293 CG1 VAL A 20 -3.939 6.171 -1.518 1.00 0.00 C ATOM 294 CG2 VAL A 20 -2.768 4.457 -0.130 1.00 0.00 C ATOM 0 H VAL A 20 -2.111 6.560 1.423 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.041 6.851 0.857 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.905 4.658 -0.329 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.844 5.528 -2.393 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.839 6.779 -1.611 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.067 6.822 -1.449 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.671 3.814 -1.005 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.897 5.108 -0.060 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.834 3.841 0.767 1.00 0.00 H new ATOM 304 N LYS A 21 -5.515 4.861 2.472 1.00 0.00 N ATOM 305 CA LYS A 21 -5.734 4.012 3.676 1.00 0.00 C ATOM 306 C LYS A 21 -6.357 2.680 3.253 1.00 0.00 C ATOM 307 O LYS A 21 -6.686 2.475 2.102 1.00 0.00 O ATOM 308 CB LYS A 21 -6.677 4.732 4.643 1.00 0.00 C ATOM 309 CG LYS A 21 -5.856 5.531 5.657 1.00 0.00 C ATOM 310 CD LYS A 21 -6.603 5.581 6.991 1.00 0.00 C ATOM 311 CE LYS A 21 -6.219 4.363 7.837 1.00 0.00 C ATOM 312 NZ LYS A 21 -5.732 4.817 9.169 1.00 0.00 N ATOM 0 H LYS A 21 -6.341 5.018 1.895 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.780 3.827 4.169 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.341 5.398 4.092 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -7.308 4.008 5.159 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.878 5.070 5.793 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.684 6.541 5.286 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.357 6.499 7.524 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.679 5.592 6.817 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -7.079 3.705 7.958 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -5.444 3.786 7.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -5.471 3.990 9.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -4.900 5.428 9.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -6.484 5.350 9.651 1.00 0.00 H new ATOM 326 N THR A 22 -6.522 1.772 4.176 1.00 0.00 N ATOM 327 CA THR A 22 -7.124 0.455 3.826 1.00 0.00 C ATOM 328 C THR A 22 -8.649 0.564 3.867 1.00 0.00 C ATOM 329 O THR A 22 -9.211 1.216 4.724 1.00 0.00 O ATOM 330 CB THR A 22 -6.661 -0.602 4.832 1.00 0.00 C ATOM 331 OG1 THR A 22 -5.498 -0.135 5.504 1.00 0.00 O ATOM 332 CG2 THR A 22 -6.339 -1.903 4.098 1.00 0.00 C ATOM 0 H THR A 22 -6.266 1.886 5.157 1.00 0.00 H new ATOM 0 HA THR A 22 -6.807 0.166 2.824 1.00 0.00 H new ATOM 0 HB THR A 22 -7.453 -0.785 5.558 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.201 -0.809 6.150 1.00 0.00 H new ATOM 0 HG21 THR A 22 -6.010 -2.654 4.816 1.00 0.00 H new ATOM 0 HG22 THR A 22 -7.231 -2.260 3.583 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.547 -1.724 3.371 1.00 0.00 H new ATOM 340 N GLY A 23 -9.324 -0.070 2.947 1.00 0.00 N ATOM 341 CA GLY A 23 -10.812 -0.002 2.934 1.00 0.00 C ATOM 342 C GLY A 23 -11.260 1.350 2.376 1.00 0.00 C ATOM 343 O GLY A 23 -12.425 1.693 2.414 1.00 0.00 O ATOM 0 H GLY A 23 -8.909 -0.632 2.204 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.218 -0.810 2.325 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.201 -0.137 3.943 1.00 0.00 H new ATOM 347 N ASP A 24 -10.343 2.122 1.858 1.00 0.00 N ATOM 348 CA ASP A 24 -10.718 3.451 1.299 1.00 0.00 C ATOM 349 C ASP A 24 -11.187 3.281 -0.149 1.00 0.00 C ATOM 350 O ASP A 24 -10.545 2.628 -0.946 1.00 0.00 O ATOM 351 CB ASP A 24 -9.505 4.382 1.336 1.00 0.00 C ATOM 352 CG ASP A 24 -9.353 4.969 2.740 1.00 0.00 C ATOM 353 OD1 ASP A 24 -9.449 4.210 3.691 1.00 0.00 O ATOM 354 OD2 ASP A 24 -9.145 6.166 2.842 1.00 0.00 O ATOM 0 H ASP A 24 -9.352 1.889 1.798 1.00 0.00 H new ATOM 0 HA ASP A 24 -11.523 3.881 1.894 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.604 3.834 1.060 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.626 5.183 0.607 1.00 0.00 H new ATOM 359 N LEU A 25 -12.302 3.865 -0.493 1.00 0.00 N ATOM 360 CA LEU A 25 -12.811 3.737 -1.888 1.00 0.00 C ATOM 361 C LEU A 25 -12.172 4.816 -2.765 1.00 0.00 C ATOM 362 O LEU A 25 -12.441 5.991 -2.613 1.00 0.00 O ATOM 363 CB LEU A 25 -14.331 3.908 -1.894 1.00 0.00 C ATOM 364 CG LEU A 25 -14.937 3.053 -3.007 1.00 0.00 C ATOM 365 CD1 LEU A 25 -14.412 3.530 -4.363 1.00 0.00 C ATOM 366 CD2 LEU A 25 -14.543 1.589 -2.798 1.00 0.00 C ATOM 0 H LEU A 25 -12.882 4.425 0.131 1.00 0.00 H new ATOM 0 HA LEU A 25 -12.555 2.752 -2.279 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -14.744 3.614 -0.929 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -14.589 4.956 -2.045 1.00 0.00 H new ATOM 0 HG LEU A 25 -16.023 3.146 -2.984 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -14.845 2.920 -5.156 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -14.691 4.573 -4.515 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -13.326 3.438 -4.386 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -14.975 0.979 -3.591 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -13.457 1.498 -2.821 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -14.916 1.246 -1.833 1.00 0.00 H new ATOM 378 N ILE A 26 -11.330 4.427 -3.682 1.00 0.00 N ATOM 379 CA ILE A 26 -10.677 5.426 -4.567 1.00 0.00 C ATOM 380 C ILE A 26 -11.525 5.614 -5.828 1.00 0.00 C ATOM 381 O ILE A 26 -12.630 5.119 -5.922 1.00 0.00 O ATOM 382 CB ILE A 26 -9.287 4.916 -4.952 1.00 0.00 C ATOM 383 CG1 ILE A 26 -8.681 4.147 -3.775 1.00 0.00 C ATOM 384 CG2 ILE A 26 -8.382 6.098 -5.304 1.00 0.00 C ATOM 385 CD1 ILE A 26 -7.253 3.723 -4.123 1.00 0.00 C ATOM 0 H ILE A 26 -11.067 3.457 -3.855 1.00 0.00 H new ATOM 0 HA ILE A 26 -10.585 6.380 -4.049 1.00 0.00 H new ATOM 0 HB ILE A 26 -9.373 4.256 -5.815 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.679 4.771 -2.882 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -9.287 3.270 -3.549 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.393 5.730 -5.578 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -8.810 6.647 -6.143 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -8.297 6.760 -4.443 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.822 3.176 -3.285 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.268 3.083 -5.005 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.650 4.608 -4.327 1.00 0.00 H new ATOM 397 N GLU A 27 -11.019 6.327 -6.796 1.00 0.00 N ATOM 398 CA GLU A 27 -11.800 6.545 -8.047 1.00 0.00 C ATOM 399 C GLU A 27 -10.841 6.647 -9.235 1.00 0.00 C ATOM 400 O GLU A 27 -9.648 6.455 -9.101 1.00 0.00 O ATOM 401 CB GLU A 27 -12.604 7.842 -7.928 1.00 0.00 C ATOM 402 CG GLU A 27 -13.291 7.893 -6.561 1.00 0.00 C ATOM 403 CD GLU A 27 -14.333 9.013 -6.556 1.00 0.00 C ATOM 404 OE1 GLU A 27 -14.233 9.893 -7.396 1.00 0.00 O ATOM 405 OE2 GLU A 27 -15.212 8.973 -5.711 1.00 0.00 O ATOM 0 H GLU A 27 -10.099 6.768 -6.775 1.00 0.00 H new ATOM 0 HA GLU A 27 -12.482 5.708 -8.200 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -11.946 8.703 -8.049 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -13.348 7.896 -8.723 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -13.768 6.937 -6.346 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -12.553 8.065 -5.777 1.00 0.00 H new ATOM 412 N VAL A 28 -11.351 6.948 -10.397 1.00 0.00 N ATOM 413 CA VAL A 28 -10.468 7.061 -11.592 1.00 0.00 C ATOM 414 C VAL A 28 -9.867 8.467 -11.652 1.00 0.00 C ATOM 415 O VAL A 28 -10.242 9.277 -12.476 1.00 0.00 O ATOM 416 CB VAL A 28 -11.287 6.802 -12.858 1.00 0.00 C ATOM 417 CG1 VAL A 28 -12.370 7.874 -12.996 1.00 0.00 C ATOM 418 CG2 VAL A 28 -10.366 6.851 -14.079 1.00 0.00 C ATOM 0 H VAL A 28 -12.341 7.121 -10.571 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.666 6.326 -11.521 1.00 0.00 H new ATOM 0 HB VAL A 28 -11.755 5.820 -12.792 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -12.953 7.688 -13.898 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -13.027 7.842 -12.127 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -11.903 8.857 -13.061 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -10.948 6.667 -14.982 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -9.899 7.834 -14.143 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -9.594 6.088 -13.983 1.00 0.00 H new ATOM 428 N GLU A 29 -8.937 8.762 -10.784 1.00 0.00 N ATOM 429 CA GLU A 29 -8.310 10.113 -10.789 1.00 0.00 C ATOM 430 C GLU A 29 -7.594 10.347 -9.459 1.00 0.00 C ATOM 431 O GLU A 29 -6.511 10.898 -9.414 1.00 0.00 O ATOM 432 CB GLU A 29 -9.389 11.180 -10.982 1.00 0.00 C ATOM 433 CG GLU A 29 -9.282 11.768 -12.390 1.00 0.00 C ATOM 434 CD GLU A 29 -8.102 12.739 -12.450 1.00 0.00 C ATOM 435 OE1 GLU A 29 -7.499 12.973 -11.415 1.00 0.00 O ATOM 436 OE2 GLU A 29 -7.820 13.233 -13.530 1.00 0.00 O ATOM 0 H GLU A 29 -8.585 8.124 -10.071 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.591 10.175 -11.606 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.377 10.744 -10.833 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.273 11.968 -10.238 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.147 10.970 -13.120 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.206 12.285 -12.651 1.00 0.00 H new ATOM 443 N GLN A 30 -8.187 9.934 -8.373 1.00 0.00 N ATOM 444 CA GLN A 30 -7.539 10.133 -7.046 1.00 0.00 C ATOM 445 C GLN A 30 -6.129 9.541 -7.071 1.00 0.00 C ATOM 446 O GLN A 30 -5.889 8.510 -7.670 1.00 0.00 O ATOM 447 CB GLN A 30 -8.366 9.434 -5.965 1.00 0.00 C ATOM 448 CG GLN A 30 -8.095 10.089 -4.609 1.00 0.00 C ATOM 449 CD GLN A 30 -9.011 9.472 -3.551 1.00 0.00 C ATOM 450 OE1 GLN A 30 -10.219 9.540 -3.662 1.00 0.00 O ATOM 451 NE2 GLN A 30 -8.484 8.868 -2.520 1.00 0.00 N ATOM 0 H GLN A 30 -9.093 9.467 -8.347 1.00 0.00 H new ATOM 0 HA GLN A 30 -7.481 11.199 -6.827 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -9.427 9.498 -6.206 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -8.112 8.375 -5.926 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -7.051 9.949 -4.328 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -8.267 11.164 -4.672 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -7.470 8.810 -2.426 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -9.086 8.454 -1.809 1.00 0.00 H new ATOM 460 N GLY A 31 -5.194 10.183 -6.426 1.00 0.00 N ATOM 461 CA GLY A 31 -3.799 9.655 -6.415 1.00 0.00 C ATOM 462 C GLY A 31 -3.718 8.445 -5.482 1.00 0.00 C ATOM 463 O GLY A 31 -4.627 8.171 -4.724 1.00 0.00 O ATOM 0 H GLY A 31 -5.335 11.049 -5.906 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.499 9.371 -7.423 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.108 10.430 -6.083 1.00 0.00 H new ATOM 467 N LEU A 32 -2.635 7.719 -5.530 1.00 0.00 N ATOM 468 CA LEU A 32 -2.496 6.529 -4.645 1.00 0.00 C ATOM 469 C LEU A 32 -1.159 6.594 -3.906 1.00 0.00 C ATOM 470 O LEU A 32 -1.068 6.275 -2.737 1.00 0.00 O ATOM 471 CB LEU A 32 -2.549 5.255 -5.491 1.00 0.00 C ATOM 472 CG LEU A 32 -3.338 4.178 -4.745 1.00 0.00 C ATOM 473 CD1 LEU A 32 -4.201 3.396 -5.737 1.00 0.00 C ATOM 474 CD2 LEU A 32 -2.364 3.221 -4.054 1.00 0.00 C ATOM 0 H LEU A 32 -1.841 7.899 -6.144 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.311 6.519 -3.921 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.018 5.464 -6.452 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.539 4.902 -5.699 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.979 4.649 -3.999 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.763 2.629 -5.204 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.895 4.076 -6.231 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.561 2.925 -6.483 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.925 2.453 -3.522 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.724 2.751 -4.801 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.748 3.777 -3.346 1.00 0.00 H new ATOM 486 N VAL A 33 -0.117 7.005 -4.576 1.00 0.00 N ATOM 487 CA VAL A 33 1.213 7.089 -3.909 1.00 0.00 C ATOM 488 C VAL A 33 2.131 8.011 -4.713 1.00 0.00 C ATOM 489 O VAL A 33 1.767 8.507 -5.762 1.00 0.00 O ATOM 490 CB VAL A 33 1.833 5.694 -3.832 1.00 0.00 C ATOM 491 CG1 VAL A 33 1.075 4.853 -2.803 1.00 0.00 C ATOM 492 CG2 VAL A 33 1.745 5.021 -5.204 1.00 0.00 C ATOM 0 H VAL A 33 -0.129 7.286 -5.556 1.00 0.00 H new ATOM 0 HA VAL A 33 1.089 7.488 -2.902 1.00 0.00 H new ATOM 0 HB VAL A 33 2.878 5.778 -3.533 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.518 3.858 -2.749 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.137 5.331 -1.826 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.030 4.769 -3.101 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.187 4.026 -5.150 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.700 4.938 -5.502 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.285 5.619 -5.938 1.00 0.00 H new ATOM 502 N VAL A 34 3.321 8.246 -4.231 1.00 0.00 N ATOM 503 CA VAL A 34 4.262 9.135 -4.969 1.00 0.00 C ATOM 504 C VAL A 34 5.631 8.457 -5.068 1.00 0.00 C ATOM 505 O VAL A 34 6.424 8.503 -4.149 1.00 0.00 O ATOM 506 CB VAL A 34 4.402 10.462 -4.222 1.00 0.00 C ATOM 507 CG1 VAL A 34 5.433 11.342 -4.932 1.00 0.00 C ATOM 508 CG2 VAL A 34 3.051 11.179 -4.200 1.00 0.00 C ATOM 0 H VAL A 34 3.682 7.861 -3.358 1.00 0.00 H new ATOM 0 HA VAL A 34 3.876 9.322 -5.971 1.00 0.00 H new ATOM 0 HB VAL A 34 4.730 10.270 -3.200 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.533 12.288 -4.399 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.396 10.832 -4.949 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.106 11.534 -5.954 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.150 12.125 -3.668 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.724 11.370 -5.222 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.315 10.553 -3.695 1.00 0.00 H new ATOM 518 N LEU A 35 5.912 7.827 -6.176 1.00 0.00 N ATOM 519 CA LEU A 35 7.228 7.145 -6.331 1.00 0.00 C ATOM 520 C LEU A 35 8.240 8.122 -6.931 1.00 0.00 C ATOM 521 O LEU A 35 7.901 8.971 -7.731 1.00 0.00 O ATOM 522 CB LEU A 35 7.071 5.940 -7.262 1.00 0.00 C ATOM 523 CG LEU A 35 6.550 4.744 -6.464 1.00 0.00 C ATOM 524 CD1 LEU A 35 5.121 4.418 -6.906 1.00 0.00 C ATOM 525 CD2 LEU A 35 7.450 3.532 -6.718 1.00 0.00 C ATOM 0 H LEU A 35 5.288 7.755 -6.980 1.00 0.00 H new ATOM 0 HA LEU A 35 7.580 6.809 -5.356 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.381 6.179 -8.071 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.028 5.695 -7.722 1.00 0.00 H new ATOM 0 HG LEU A 35 6.555 4.986 -5.401 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.750 3.566 -6.337 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.479 5.281 -6.727 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.115 4.175 -7.969 1.00 0.00 H new ATOM 0 HD21 LEU A 35 7.080 2.679 -6.150 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.444 3.291 -7.781 1.00 0.00 H new ATOM 0 HD23 LEU A 35 8.468 3.763 -6.404 1.00 0.00 H new ATOM 537 N GLU A 36 9.483 8.011 -6.548 1.00 0.00 N ATOM 538 CA GLU A 36 10.518 8.933 -7.096 1.00 0.00 C ATOM 539 C GLU A 36 11.122 8.327 -8.364 1.00 0.00 C ATOM 540 O GLU A 36 10.777 7.233 -8.765 1.00 0.00 O ATOM 541 CB GLU A 36 11.619 9.139 -6.054 1.00 0.00 C ATOM 542 CG GLU A 36 12.073 10.600 -6.071 1.00 0.00 C ATOM 543 CD GLU A 36 13.573 10.672 -5.779 1.00 0.00 C ATOM 544 OE1 GLU A 36 14.188 9.623 -5.682 1.00 0.00 O ATOM 545 OE2 GLU A 36 14.081 11.775 -5.658 1.00 0.00 O ATOM 0 H GLU A 36 9.826 7.322 -5.879 1.00 0.00 H new ATOM 0 HA GLU A 36 10.060 9.893 -7.336 1.00 0.00 H new ATOM 0 HB2 GLU A 36 11.251 8.873 -5.063 1.00 0.00 H new ATOM 0 HB3 GLU A 36 12.463 8.483 -6.267 1.00 0.00 H new ATOM 0 HG2 GLU A 36 11.859 11.047 -7.042 1.00 0.00 H new ATOM 0 HG3 GLU A 36 11.519 11.173 -5.327 1.00 0.00 H new ATOM 552 N SER A 37 12.020 9.030 -8.999 1.00 0.00 N ATOM 553 CA SER A 37 12.645 8.492 -10.240 1.00 0.00 C ATOM 554 C SER A 37 14.152 8.749 -10.205 1.00 0.00 C ATOM 555 O SER A 37 14.632 9.589 -9.469 1.00 0.00 O ATOM 556 CB SER A 37 12.038 9.189 -11.458 1.00 0.00 C ATOM 557 OG SER A 37 10.624 9.036 -11.431 1.00 0.00 O ATOM 0 H SER A 37 12.347 9.953 -8.712 1.00 0.00 H new ATOM 0 HA SER A 37 12.461 7.420 -10.304 1.00 0.00 H new ATOM 0 HB2 SER A 37 12.301 10.247 -11.455 1.00 0.00 H new ATOM 0 HB3 SER A 37 12.444 8.763 -12.375 1.00 0.00 H new ATOM 0 HG SER A 37 10.232 9.483 -12.210 1.00 0.00 H new ATOM 563 N ALA A 38 14.904 8.033 -10.995 1.00 0.00 N ATOM 564 CA ALA A 38 16.381 8.237 -11.005 1.00 0.00 C ATOM 565 C ALA A 38 16.687 9.736 -11.035 1.00 0.00 C ATOM 566 O ALA A 38 17.708 10.180 -10.546 1.00 0.00 O ATOM 567 CB ALA A 38 16.979 7.570 -12.246 1.00 0.00 C ATOM 0 H ALA A 38 14.560 7.316 -11.634 1.00 0.00 H new ATOM 0 HA ALA A 38 16.816 7.794 -10.109 1.00 0.00 H new ATOM 0 HB1 ALA A 38 18.059 7.719 -12.254 1.00 0.00 H new ATOM 0 HB2 ALA A 38 16.760 6.502 -12.227 1.00 0.00 H new ATOM 0 HB3 ALA A 38 16.545 8.013 -13.142 1.00 0.00 H new ATOM 573 N LYS A 39 15.812 10.519 -11.605 1.00 0.00 N ATOM 574 CA LYS A 39 16.054 11.988 -11.664 1.00 0.00 C ATOM 575 C LYS A 39 14.729 12.713 -11.905 1.00 0.00 C ATOM 576 O LYS A 39 14.603 13.514 -12.810 1.00 0.00 O ATOM 577 CB LYS A 39 17.022 12.299 -12.808 1.00 0.00 C ATOM 578 CG LYS A 39 18.119 13.241 -12.307 1.00 0.00 C ATOM 579 CD LYS A 39 18.707 14.016 -13.488 1.00 0.00 C ATOM 580 CE LYS A 39 20.058 14.610 -13.088 1.00 0.00 C ATOM 581 NZ LYS A 39 19.842 15.733 -12.131 1.00 0.00 N ATOM 0 H LYS A 39 14.941 10.205 -12.032 1.00 0.00 H new ATOM 0 HA LYS A 39 16.486 12.324 -10.721 1.00 0.00 H new ATOM 0 HB2 LYS A 39 17.464 11.377 -13.185 1.00 0.00 H new ATOM 0 HB3 LYS A 39 16.485 12.758 -13.638 1.00 0.00 H new ATOM 0 HG2 LYS A 39 17.710 13.934 -11.572 1.00 0.00 H new ATOM 0 HG3 LYS A 39 18.902 12.671 -11.807 1.00 0.00 H new ATOM 0 HD2 LYS A 39 18.828 13.355 -14.346 1.00 0.00 H new ATOM 0 HD3 LYS A 39 18.024 14.810 -13.791 1.00 0.00 H new ATOM 0 HE2 LYS A 39 20.684 13.843 -12.631 1.00 0.00 H new ATOM 0 HE3 LYS A 39 20.586 14.967 -13.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 20.756 16.171 -11.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 19.219 16.444 -12.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 19.401 15.369 -11.263 1.00 0.00 H new ATOM 595 N ALA A 40 13.737 12.440 -11.101 1.00 0.00 N ATOM 596 CA ALA A 40 12.421 13.114 -11.284 1.00 0.00 C ATOM 597 C ALA A 40 11.420 12.563 -10.267 1.00 0.00 C ATOM 598 O ALA A 40 11.787 11.897 -9.319 1.00 0.00 O ATOM 599 CB ALA A 40 11.907 12.850 -12.701 1.00 0.00 C ATOM 0 H ALA A 40 13.782 11.779 -10.325 1.00 0.00 H new ATOM 0 HA ALA A 40 12.538 14.187 -11.133 1.00 0.00 H new ATOM 0 HB1 ALA A 40 10.944 13.343 -12.836 1.00 0.00 H new ATOM 0 HB2 ALA A 40 12.620 13.242 -13.426 1.00 0.00 H new ATOM 0 HB3 ALA A 40 11.790 11.777 -12.852 1.00 0.00 H new ATOM 605 N SER A 41 10.158 12.836 -10.455 1.00 0.00 N ATOM 606 CA SER A 41 9.135 12.327 -9.498 1.00 0.00 C ATOM 607 C SER A 41 7.796 12.166 -10.221 1.00 0.00 C ATOM 608 O SER A 41 7.422 12.979 -11.042 1.00 0.00 O ATOM 609 CB SER A 41 8.977 13.320 -8.347 1.00 0.00 C ATOM 610 OG SER A 41 7.640 13.273 -7.867 1.00 0.00 O ATOM 0 H SER A 41 9.791 13.389 -11.229 1.00 0.00 H new ATOM 0 HA SER A 41 9.453 11.362 -9.104 1.00 0.00 H new ATOM 0 HB2 SER A 41 9.673 13.077 -7.544 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.219 14.328 -8.685 1.00 0.00 H new ATOM 0 HG SER A 41 7.535 13.908 -7.128 1.00 0.00 H new ATOM 616 N MET A 42 7.071 11.124 -9.921 1.00 0.00 N ATOM 617 CA MET A 42 5.756 10.912 -10.591 1.00 0.00 C ATOM 618 C MET A 42 4.750 10.361 -9.579 1.00 0.00 C ATOM 619 O MET A 42 5.110 9.679 -8.640 1.00 0.00 O ATOM 620 CB MET A 42 5.925 9.915 -11.739 1.00 0.00 C ATOM 621 CG MET A 42 5.887 10.660 -13.074 1.00 0.00 C ATOM 622 SD MET A 42 4.223 10.554 -13.779 1.00 0.00 S ATOM 623 CE MET A 42 4.693 10.797 -15.509 1.00 0.00 C ATOM 0 H MET A 42 7.332 10.410 -9.241 1.00 0.00 H new ATOM 0 HA MET A 42 5.391 11.861 -10.984 1.00 0.00 H new ATOM 0 HB2 MET A 42 6.870 9.382 -11.635 1.00 0.00 H new ATOM 0 HB3 MET A 42 5.132 9.168 -11.705 1.00 0.00 H new ATOM 0 HG2 MET A 42 6.166 11.704 -12.928 1.00 0.00 H new ATOM 0 HG3 MET A 42 6.613 10.230 -13.763 1.00 0.00 H new ATOM 0 HE1 MET A 42 3.802 10.768 -16.136 1.00 0.00 H new ATOM 0 HE2 MET A 42 5.183 11.764 -15.620 1.00 0.00 H new ATOM 0 HE3 MET A 42 5.378 10.006 -15.815 1.00 0.00 H new ATOM 633 N GLU A 43 3.491 10.652 -9.762 1.00 0.00 N ATOM 634 CA GLU A 43 2.463 10.143 -8.810 1.00 0.00 C ATOM 635 C GLU A 43 1.809 8.887 -9.388 1.00 0.00 C ATOM 636 O GLU A 43 2.006 8.545 -10.537 1.00 0.00 O ATOM 637 CB GLU A 43 1.396 11.218 -8.590 1.00 0.00 C ATOM 638 CG GLU A 43 0.975 11.805 -9.939 1.00 0.00 C ATOM 639 CD GLU A 43 1.628 13.175 -10.127 1.00 0.00 C ATOM 640 OE1 GLU A 43 2.833 13.265 -9.949 1.00 0.00 O ATOM 641 OE2 GLU A 43 0.913 14.111 -10.444 1.00 0.00 O ATOM 0 H GLU A 43 3.130 11.220 -10.529 1.00 0.00 H new ATOM 0 HA GLU A 43 2.937 9.900 -7.859 1.00 0.00 H new ATOM 0 HB2 GLU A 43 0.532 10.789 -8.083 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.786 12.005 -7.945 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.271 11.136 -10.747 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.110 11.899 -9.984 1.00 0.00 H new ATOM 648 N VAL A 44 1.034 8.194 -8.599 1.00 0.00 N ATOM 649 CA VAL A 44 0.368 6.960 -9.102 1.00 0.00 C ATOM 650 C VAL A 44 -1.001 6.811 -8.432 1.00 0.00 C ATOM 651 O VAL A 44 -1.092 6.335 -7.318 1.00 0.00 O ATOM 652 CB VAL A 44 1.234 5.744 -8.767 1.00 0.00 C ATOM 653 CG1 VAL A 44 0.443 4.463 -9.040 1.00 0.00 C ATOM 654 CG2 VAL A 44 2.493 5.760 -9.636 1.00 0.00 C ATOM 0 H VAL A 44 0.833 8.430 -7.627 1.00 0.00 H new ATOM 0 HA VAL A 44 0.239 7.029 -10.182 1.00 0.00 H new ATOM 0 HB VAL A 44 1.517 5.779 -7.715 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.060 3.597 -8.801 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.455 4.451 -8.422 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.159 4.428 -10.092 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.111 4.894 -9.398 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.210 5.725 -10.688 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.057 6.672 -9.442 1.00 0.00 H new ATOM 664 N PRO A 45 -2.028 7.225 -9.131 1.00 0.00 N ATOM 665 CA PRO A 45 -3.410 7.151 -8.625 1.00 0.00 C ATOM 666 C PRO A 45 -3.944 5.721 -8.738 1.00 0.00 C ATOM 667 O PRO A 45 -3.208 4.791 -9.004 1.00 0.00 O ATOM 668 CB PRO A 45 -4.183 8.093 -9.552 1.00 0.00 C ATOM 669 CG PRO A 45 -3.353 8.204 -10.850 1.00 0.00 C ATOM 670 CD PRO A 45 -1.911 7.800 -10.487 1.00 0.00 C ATOM 0 HA PRO A 45 -3.496 7.427 -7.574 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -5.179 7.702 -9.760 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.314 9.071 -9.090 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -3.755 7.550 -11.624 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -3.383 9.220 -11.243 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -1.510 7.074 -11.195 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -1.241 8.660 -10.499 1.00 0.00 H new ATOM 678 N SER A 46 -5.218 5.541 -8.536 1.00 0.00 N ATOM 679 CA SER A 46 -5.801 4.174 -8.632 1.00 0.00 C ATOM 680 C SER A 46 -6.148 3.868 -10.095 1.00 0.00 C ATOM 681 O SER A 46 -6.729 4.694 -10.772 1.00 0.00 O ATOM 682 CB SER A 46 -7.071 4.103 -7.782 1.00 0.00 C ATOM 683 OG SER A 46 -8.034 3.293 -8.442 1.00 0.00 O ATOM 0 H SER A 46 -5.882 6.281 -8.308 1.00 0.00 H new ATOM 0 HA SER A 46 -5.078 3.443 -8.269 1.00 0.00 H new ATOM 0 HB2 SER A 46 -6.842 3.689 -6.800 1.00 0.00 H new ATOM 0 HB3 SER A 46 -7.471 5.104 -7.620 1.00 0.00 H new ATOM 0 HG SER A 46 -8.555 2.797 -7.777 1.00 0.00 H new ATOM 689 N PRO A 47 -5.782 2.692 -10.542 1.00 0.00 N ATOM 690 CA PRO A 47 -6.044 2.256 -11.924 1.00 0.00 C ATOM 691 C PRO A 47 -7.497 1.800 -12.073 1.00 0.00 C ATOM 692 O PRO A 47 -7.954 1.489 -13.156 1.00 0.00 O ATOM 693 CB PRO A 47 -5.082 1.083 -12.119 1.00 0.00 C ATOM 694 CG PRO A 47 -4.747 0.554 -10.703 1.00 0.00 C ATOM 695 CD PRO A 47 -5.074 1.691 -9.718 1.00 0.00 C ATOM 0 HA PRO A 47 -5.897 3.048 -12.659 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -5.539 0.303 -12.727 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -4.179 1.403 -12.638 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -5.332 -0.337 -10.474 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -3.696 0.272 -10.634 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -5.697 1.339 -8.896 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -4.169 2.107 -9.276 1.00 0.00 H new ATOM 703 N LYS A 48 -8.224 1.757 -10.994 1.00 0.00 N ATOM 704 CA LYS A 48 -9.647 1.321 -11.069 1.00 0.00 C ATOM 705 C LYS A 48 -10.397 1.808 -9.827 1.00 0.00 C ATOM 706 O LYS A 48 -9.853 1.862 -8.743 1.00 0.00 O ATOM 707 CB LYS A 48 -9.709 -0.206 -11.135 1.00 0.00 C ATOM 708 CG LYS A 48 -9.317 -0.673 -12.538 1.00 0.00 C ATOM 709 CD LYS A 48 -10.095 -1.941 -12.892 1.00 0.00 C ATOM 710 CE LYS A 48 -10.738 -1.779 -14.271 1.00 0.00 C ATOM 711 NZ LYS A 48 -12.060 -1.104 -14.127 1.00 0.00 N ATOM 0 H LYS A 48 -7.895 2.005 -10.061 1.00 0.00 H new ATOM 0 HA LYS A 48 -10.109 1.743 -11.961 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -9.037 -0.640 -10.395 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.715 -0.550 -10.893 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.528 0.111 -13.266 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.245 -0.868 -12.581 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.427 -2.802 -12.890 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.862 -2.131 -12.142 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.088 -1.193 -14.921 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.865 -2.754 -14.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.497 -0.994 -15.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.679 -1.679 -13.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.926 -0.167 -13.695 1.00 0.00 H new ATOM 725 N ALA A 49 -11.644 2.162 -9.976 1.00 0.00 N ATOM 726 CA ALA A 49 -12.427 2.644 -8.804 1.00 0.00 C ATOM 727 C ALA A 49 -12.788 1.456 -7.910 1.00 0.00 C ATOM 728 O ALA A 49 -13.727 0.731 -8.173 1.00 0.00 O ATOM 729 CB ALA A 49 -13.708 3.324 -9.290 1.00 0.00 C ATOM 0 H ALA A 49 -12.154 2.138 -10.859 1.00 0.00 H new ATOM 0 HA ALA A 49 -11.830 3.358 -8.237 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -14.281 3.677 -8.432 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -13.451 4.170 -9.928 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -14.306 2.611 -9.857 1.00 0.00 H new ATOM 735 N GLY A 50 -12.049 1.248 -6.854 1.00 0.00 N ATOM 736 CA GLY A 50 -12.351 0.106 -5.945 1.00 0.00 C ATOM 737 C GLY A 50 -11.842 0.423 -4.538 1.00 0.00 C ATOM 738 O GLY A 50 -11.217 1.439 -4.308 1.00 0.00 O ATOM 0 H GLY A 50 -11.249 1.820 -6.582 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -13.425 -0.079 -5.921 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -11.879 -0.803 -6.317 1.00 0.00 H new ATOM 742 N VAL A 51 -12.104 -0.440 -3.594 1.00 0.00 N ATOM 743 CA VAL A 51 -11.633 -0.187 -2.203 1.00 0.00 C ATOM 744 C VAL A 51 -10.307 -0.913 -1.971 1.00 0.00 C ATOM 745 O VAL A 51 -10.080 -1.989 -2.486 1.00 0.00 O ATOM 746 CB VAL A 51 -12.678 -0.703 -1.211 1.00 0.00 C ATOM 747 CG1 VAL A 51 -12.756 -2.229 -1.301 1.00 0.00 C ATOM 748 CG2 VAL A 51 -12.277 -0.296 0.208 1.00 0.00 C ATOM 0 H VAL A 51 -12.623 -1.308 -3.726 1.00 0.00 H new ATOM 0 HA VAL A 51 -11.489 0.884 -2.057 1.00 0.00 H new ATOM 0 HB VAL A 51 -13.651 -0.274 -1.451 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -13.500 -2.598 -0.595 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -13.040 -2.520 -2.312 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -11.783 -2.658 -1.060 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -13.021 -0.663 0.916 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -11.304 -0.725 0.448 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -12.220 0.791 0.272 1.00 0.00 H new ATOM 758 N VAL A 52 -9.430 -0.334 -1.199 1.00 0.00 N ATOM 759 CA VAL A 52 -8.119 -0.992 -0.936 1.00 0.00 C ATOM 760 C VAL A 52 -8.349 -2.307 -0.187 1.00 0.00 C ATOM 761 O VAL A 52 -8.798 -2.319 0.941 1.00 0.00 O ATOM 762 CB VAL A 52 -7.246 -0.068 -0.085 1.00 0.00 C ATOM 763 CG1 VAL A 52 -6.021 -0.837 0.414 1.00 0.00 C ATOM 764 CG2 VAL A 52 -6.788 1.122 -0.932 1.00 0.00 C ATOM 0 H VAL A 52 -9.564 0.566 -0.739 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.619 -1.195 -1.883 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.822 0.290 0.768 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.400 -0.178 1.020 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.345 -1.686 1.016 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.445 -1.196 -0.439 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.166 1.781 -0.327 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.212 0.762 -1.785 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -7.659 1.672 -1.288 1.00 0.00 H new ATOM 774 N LYS A 53 -8.043 -3.414 -0.806 1.00 0.00 N ATOM 775 CA LYS A 53 -8.244 -4.726 -0.129 1.00 0.00 C ATOM 776 C LYS A 53 -7.021 -5.047 0.733 1.00 0.00 C ATOM 777 O LYS A 53 -7.128 -5.265 1.923 1.00 0.00 O ATOM 778 CB LYS A 53 -8.429 -5.821 -1.182 1.00 0.00 C ATOM 779 CG LYS A 53 -9.058 -7.054 -0.531 1.00 0.00 C ATOM 780 CD LYS A 53 -10.260 -7.513 -1.360 1.00 0.00 C ATOM 781 CE LYS A 53 -10.819 -8.811 -0.776 1.00 0.00 C ATOM 782 NZ LYS A 53 -12.104 -8.527 -0.077 1.00 0.00 N ATOM 0 H LYS A 53 -7.663 -3.467 -1.751 1.00 0.00 H new ATOM 0 HA LYS A 53 -9.131 -4.677 0.503 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.065 -5.459 -1.990 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -7.467 -6.081 -1.625 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.323 -7.856 -0.461 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -9.372 -6.821 0.486 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -11.030 -6.741 -1.361 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -9.962 -7.667 -2.397 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -10.978 -9.541 -1.570 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -10.103 -9.248 -0.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -12.485 -9.409 0.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -11.938 -7.845 0.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -12.786 -8.129 -0.753 1.00 0.00 H new ATOM 796 N SER A 54 -5.859 -5.078 0.140 1.00 0.00 N ATOM 797 CA SER A 54 -4.631 -5.385 0.925 1.00 0.00 C ATOM 798 C SER A 54 -3.462 -4.555 0.390 1.00 0.00 C ATOM 799 O SER A 54 -3.175 -4.559 -0.790 1.00 0.00 O ATOM 800 CB SER A 54 -4.301 -6.873 0.796 1.00 0.00 C ATOM 801 OG SER A 54 -5.323 -7.637 1.422 1.00 0.00 O ATOM 0 H SER A 54 -5.707 -4.904 -0.854 1.00 0.00 H new ATOM 0 HA SER A 54 -4.800 -5.140 1.974 1.00 0.00 H new ATOM 0 HB2 SER A 54 -4.217 -7.149 -0.255 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.337 -7.085 1.259 1.00 0.00 H new ATOM 0 HG SER A 54 -5.115 -8.591 1.340 1.00 0.00 H new ATOM 807 N VAL A 55 -2.784 -3.843 1.249 1.00 0.00 N ATOM 808 CA VAL A 55 -1.636 -3.014 0.788 1.00 0.00 C ATOM 809 C VAL A 55 -0.332 -3.789 0.995 1.00 0.00 C ATOM 810 O VAL A 55 -0.061 -4.292 2.066 1.00 0.00 O ATOM 811 CB VAL A 55 -1.589 -1.715 1.593 1.00 0.00 C ATOM 812 CG1 VAL A 55 -0.607 -0.742 0.938 1.00 0.00 C ATOM 813 CG2 VAL A 55 -2.984 -1.085 1.624 1.00 0.00 C ATOM 0 H VAL A 55 -2.976 -3.800 2.250 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.758 -2.782 -0.270 1.00 0.00 H new ATOM 0 HB VAL A 55 -1.262 -1.931 2.610 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.574 0.184 1.513 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.387 -1.189 0.914 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.933 -0.526 -0.080 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -2.952 -0.159 2.198 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -3.309 -0.870 0.606 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -3.685 -1.777 2.091 1.00 0.00 H new ATOM 823 N SER A 56 0.478 -3.888 -0.025 1.00 0.00 N ATOM 824 CA SER A 56 1.763 -4.631 0.114 1.00 0.00 C ATOM 825 C SER A 56 2.931 -3.684 -0.166 1.00 0.00 C ATOM 826 O SER A 56 3.947 -4.078 -0.703 1.00 0.00 O ATOM 827 CB SER A 56 1.793 -5.787 -0.885 1.00 0.00 C ATOM 828 OG SER A 56 1.088 -6.896 -0.341 1.00 0.00 O ATOM 0 H SER A 56 0.305 -3.487 -0.947 1.00 0.00 H new ATOM 0 HA SER A 56 1.849 -5.024 1.127 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.340 -5.480 -1.828 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.823 -6.068 -1.103 1.00 0.00 H new ATOM 0 HG SER A 56 1.104 -7.639 -0.980 1.00 0.00 H new ATOM 834 N VAL A 57 2.797 -2.436 0.194 1.00 0.00 N ATOM 835 CA VAL A 57 3.902 -1.468 -0.052 1.00 0.00 C ATOM 836 C VAL A 57 4.078 -0.572 1.176 1.00 0.00 C ATOM 837 O VAL A 57 3.175 -0.407 1.972 1.00 0.00 O ATOM 838 CB VAL A 57 3.560 -0.603 -1.268 1.00 0.00 C ATOM 839 CG1 VAL A 57 3.342 -1.501 -2.486 1.00 0.00 C ATOM 840 CG2 VAL A 57 2.284 0.191 -0.984 1.00 0.00 C ATOM 0 H VAL A 57 1.971 -2.046 0.647 1.00 0.00 H new ATOM 0 HA VAL A 57 4.827 -2.013 -0.241 1.00 0.00 H new ATOM 0 HB VAL A 57 4.380 0.086 -1.468 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.098 -0.886 -3.352 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.251 -2.068 -2.687 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.521 -2.190 -2.288 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.039 0.808 -1.849 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.463 -0.498 -0.785 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.439 0.830 -0.115 1.00 0.00 H new ATOM 850 N LYS A 58 5.237 0.008 1.337 1.00 0.00 N ATOM 851 CA LYS A 58 5.469 0.892 2.513 1.00 0.00 C ATOM 852 C LYS A 58 6.307 2.099 2.086 1.00 0.00 C ATOM 853 O LYS A 58 7.117 2.016 1.183 1.00 0.00 O ATOM 854 CB LYS A 58 6.216 0.112 3.598 1.00 0.00 C ATOM 855 CG LYS A 58 6.347 0.979 4.851 1.00 0.00 C ATOM 856 CD LYS A 58 6.373 0.083 6.091 1.00 0.00 C ATOM 857 CE LYS A 58 7.814 -0.063 6.586 1.00 0.00 C ATOM 858 NZ LYS A 58 7.906 0.413 7.995 1.00 0.00 N ATOM 0 H LYS A 58 6.032 -0.093 0.705 1.00 0.00 H new ATOM 0 HA LYS A 58 4.511 1.234 2.905 1.00 0.00 H new ATOM 0 HB2 LYS A 58 5.680 -0.808 3.834 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.203 -0.177 3.238 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.259 1.575 4.800 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.513 1.678 4.912 1.00 0.00 H new ATOM 0 HD2 LYS A 58 5.750 0.512 6.876 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.958 -0.897 5.854 1.00 0.00 H new ATOM 0 HE2 LYS A 58 8.128 -1.105 6.522 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.488 0.513 5.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 8.885 0.314 8.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 7.623 1.413 8.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.274 -0.155 8.595 1.00 0.00 H new ATOM 872 N LEU A 59 6.119 3.221 2.725 1.00 0.00 N ATOM 873 CA LEU A 59 6.905 4.431 2.353 1.00 0.00 C ATOM 874 C LEU A 59 8.350 4.268 2.830 1.00 0.00 C ATOM 875 O LEU A 59 8.604 3.961 3.978 1.00 0.00 O ATOM 876 CB LEU A 59 6.286 5.664 3.014 1.00 0.00 C ATOM 877 CG LEU A 59 6.212 5.450 4.527 1.00 0.00 C ATOM 878 CD1 LEU A 59 6.991 6.556 5.239 1.00 0.00 C ATOM 879 CD2 LEU A 59 4.750 5.487 4.975 1.00 0.00 C ATOM 0 H LEU A 59 5.455 3.352 3.488 1.00 0.00 H new ATOM 0 HA LEU A 59 6.892 4.554 1.270 1.00 0.00 H new ATOM 0 HB2 LEU A 59 6.883 6.548 2.790 1.00 0.00 H new ATOM 0 HB3 LEU A 59 5.289 5.843 2.612 1.00 0.00 H new ATOM 0 HG LEU A 59 6.646 4.482 4.778 1.00 0.00 H new ATOM 0 HD11 LEU A 59 6.938 6.403 6.317 1.00 0.00 H new ATOM 0 HD12 LEU A 59 8.033 6.530 4.920 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.559 7.525 4.989 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.696 5.335 6.053 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.317 6.455 4.723 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.194 4.698 4.469 1.00 0.00 H new ATOM 891 N GLY A 60 9.298 4.469 1.956 1.00 0.00 N ATOM 892 CA GLY A 60 10.726 4.325 2.360 1.00 0.00 C ATOM 893 C GLY A 60 11.294 3.030 1.780 1.00 0.00 C ATOM 894 O GLY A 60 12.488 2.886 1.607 1.00 0.00 O ATOM 0 H GLY A 60 9.146 4.726 0.981 1.00 0.00 H new ATOM 0 HA2 GLY A 60 11.303 5.179 2.004 1.00 0.00 H new ATOM 0 HA3 GLY A 60 10.808 4.315 3.447 1.00 0.00 H new ATOM 898 N ASP A 61 10.448 2.083 1.477 1.00 0.00 N ATOM 899 CA ASP A 61 10.941 0.797 0.908 1.00 0.00 C ATOM 900 C ASP A 61 11.201 0.968 -0.590 1.00 0.00 C ATOM 901 O ASP A 61 10.544 1.741 -1.260 1.00 0.00 O ATOM 902 CB ASP A 61 9.888 -0.293 1.121 1.00 0.00 C ATOM 903 CG ASP A 61 9.772 -0.605 2.615 1.00 0.00 C ATOM 904 OD1 ASP A 61 10.255 0.189 3.406 1.00 0.00 O ATOM 905 OD2 ASP A 61 9.204 -1.635 2.941 1.00 0.00 O ATOM 0 H ASP A 61 9.437 2.145 1.599 1.00 0.00 H new ATOM 0 HA ASP A 61 11.867 0.511 1.407 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.925 0.036 0.731 1.00 0.00 H new ATOM 0 HB3 ASP A 61 10.164 -1.193 0.571 1.00 0.00 H new ATOM 910 N LYS A 62 12.155 0.253 -1.122 1.00 0.00 N ATOM 911 CA LYS A 62 12.456 0.375 -2.576 1.00 0.00 C ATOM 912 C LYS A 62 11.876 -0.830 -3.319 1.00 0.00 C ATOM 913 O LYS A 62 12.317 -1.949 -3.146 1.00 0.00 O ATOM 914 CB LYS A 62 13.972 0.420 -2.780 1.00 0.00 C ATOM 915 CG LYS A 62 14.289 1.131 -4.097 1.00 0.00 C ATOM 916 CD LYS A 62 15.538 1.998 -3.921 1.00 0.00 C ATOM 917 CE LYS A 62 15.861 2.701 -5.240 1.00 0.00 C ATOM 918 NZ LYS A 62 16.050 4.159 -4.995 1.00 0.00 N ATOM 0 H LYS A 62 12.739 -0.410 -0.612 1.00 0.00 H new ATOM 0 HA LYS A 62 12.010 1.290 -2.965 1.00 0.00 H new ATOM 0 HB2 LYS A 62 14.446 0.943 -1.949 1.00 0.00 H new ATOM 0 HB3 LYS A 62 14.378 -0.591 -2.794 1.00 0.00 H new ATOM 0 HG2 LYS A 62 14.450 0.399 -4.888 1.00 0.00 H new ATOM 0 HG3 LYS A 62 13.444 1.749 -4.402 1.00 0.00 H new ATOM 0 HD2 LYS A 62 15.374 2.735 -3.135 1.00 0.00 H new ATOM 0 HD3 LYS A 62 16.381 1.381 -3.609 1.00 0.00 H new ATOM 0 HE2 LYS A 62 16.763 2.276 -5.679 1.00 0.00 H new ATOM 0 HE3 LYS A 62 15.054 2.544 -5.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 16.050 4.666 -5.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 15.275 4.514 -4.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 16.957 4.315 -4.511 1.00 0.00 H new ATOM 932 N LEU A 63 10.891 -0.610 -4.147 1.00 0.00 N ATOM 933 CA LEU A 63 10.284 -1.744 -4.899 1.00 0.00 C ATOM 934 C LEU A 63 10.811 -1.742 -6.337 1.00 0.00 C ATOM 935 O LEU A 63 10.881 -0.713 -6.980 1.00 0.00 O ATOM 936 CB LEU A 63 8.762 -1.591 -4.914 1.00 0.00 C ATOM 937 CG LEU A 63 8.168 -2.287 -3.688 1.00 0.00 C ATOM 938 CD1 LEU A 63 6.686 -1.928 -3.565 1.00 0.00 C ATOM 939 CD2 LEU A 63 8.314 -3.802 -3.843 1.00 0.00 C ATOM 0 H LEU A 63 10.481 0.305 -4.335 1.00 0.00 H new ATOM 0 HA LEU A 63 10.549 -2.684 -4.415 1.00 0.00 H new ATOM 0 HB2 LEU A 63 8.492 -0.535 -4.913 1.00 0.00 H new ATOM 0 HB3 LEU A 63 8.351 -2.024 -5.826 1.00 0.00 H new ATOM 0 HG LEU A 63 8.696 -1.960 -2.792 1.00 0.00 H new ATOM 0 HD11 LEU A 63 6.263 -2.424 -2.691 1.00 0.00 H new ATOM 0 HD12 LEU A 63 6.581 -0.849 -3.456 1.00 0.00 H new ATOM 0 HD13 LEU A 63 6.157 -2.255 -4.460 1.00 0.00 H new ATOM 0 HD21 LEU A 63 7.891 -4.299 -2.970 1.00 0.00 H new ATOM 0 HD22 LEU A 63 7.785 -4.129 -4.738 1.00 0.00 H new ATOM 0 HD23 LEU A 63 9.370 -4.059 -3.931 1.00 0.00 H new ATOM 951 N LYS A 64 11.180 -2.885 -6.845 1.00 0.00 N ATOM 952 CA LYS A 64 11.702 -2.946 -8.239 1.00 0.00 C ATOM 953 C LYS A 64 10.596 -3.437 -9.176 1.00 0.00 C ATOM 954 O LYS A 64 9.702 -4.155 -8.772 1.00 0.00 O ATOM 955 CB LYS A 64 12.886 -3.914 -8.299 1.00 0.00 C ATOM 956 CG LYS A 64 13.450 -3.943 -9.721 1.00 0.00 C ATOM 957 CD LYS A 64 14.876 -4.499 -9.694 1.00 0.00 C ATOM 958 CE LYS A 64 15.866 -3.378 -10.012 1.00 0.00 C ATOM 959 NZ LYS A 64 17.092 -3.547 -9.181 1.00 0.00 N ATOM 0 H LYS A 64 11.143 -3.779 -6.355 1.00 0.00 H new ATOM 0 HA LYS A 64 12.028 -1.953 -8.548 1.00 0.00 H new ATOM 0 HB2 LYS A 64 13.659 -3.604 -7.596 1.00 0.00 H new ATOM 0 HB3 LYS A 64 12.568 -4.913 -8.002 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.820 -4.560 -10.361 1.00 0.00 H new ATOM 0 HG3 LYS A 64 13.448 -2.939 -10.145 1.00 0.00 H new ATOM 0 HD2 LYS A 64 15.094 -4.924 -8.714 1.00 0.00 H new ATOM 0 HD3 LYS A 64 14.977 -5.305 -10.421 1.00 0.00 H new ATOM 0 HE2 LYS A 64 16.126 -3.397 -11.070 1.00 0.00 H new ATOM 0 HE3 LYS A 64 15.410 -2.408 -9.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 17.766 -2.785 -9.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 16.837 -3.508 -8.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 17.530 -4.466 -9.392 1.00 0.00 H new ATOM 973 N GLU A 65 10.648 -3.053 -10.422 1.00 0.00 N ATOM 974 CA GLU A 65 9.601 -3.492 -11.386 1.00 0.00 C ATOM 975 C GLU A 65 9.296 -4.976 -11.169 1.00 0.00 C ATOM 976 O GLU A 65 10.143 -5.740 -10.752 1.00 0.00 O ATOM 977 CB GLU A 65 10.102 -3.278 -12.815 1.00 0.00 C ATOM 978 CG GLU A 65 11.387 -4.078 -13.032 1.00 0.00 C ATOM 979 CD GLU A 65 12.409 -3.213 -13.773 1.00 0.00 C ATOM 980 OE1 GLU A 65 12.468 -2.028 -13.490 1.00 0.00 O ATOM 981 OE2 GLU A 65 13.114 -3.751 -14.611 1.00 0.00 O ATOM 0 H GLU A 65 11.373 -2.452 -10.815 1.00 0.00 H new ATOM 0 HA GLU A 65 8.694 -2.908 -11.227 1.00 0.00 H new ATOM 0 HB2 GLU A 65 9.341 -3.592 -13.529 1.00 0.00 H new ATOM 0 HB3 GLU A 65 10.287 -2.218 -12.992 1.00 0.00 H new ATOM 0 HG2 GLU A 65 11.794 -4.399 -12.073 1.00 0.00 H new ATOM 0 HG3 GLU A 65 11.174 -4.980 -13.606 1.00 0.00 H new ATOM 988 N GLY A 66 8.091 -5.391 -11.449 1.00 0.00 N ATOM 989 CA GLY A 66 7.732 -6.825 -11.260 1.00 0.00 C ATOM 990 C GLY A 66 7.208 -7.037 -9.838 1.00 0.00 C ATOM 991 O GLY A 66 6.569 -8.027 -9.544 1.00 0.00 O ATOM 0 H GLY A 66 7.339 -4.798 -11.801 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.974 -7.120 -11.986 1.00 0.00 H new ATOM 0 HA3 GLY A 66 8.604 -7.455 -11.435 1.00 0.00 H new ATOM 995 N ASP A 67 7.475 -6.115 -8.953 1.00 0.00 N ATOM 996 CA ASP A 67 6.992 -6.267 -7.552 1.00 0.00 C ATOM 997 C ASP A 67 5.548 -5.768 -7.454 1.00 0.00 C ATOM 998 O ASP A 67 5.221 -4.692 -7.913 1.00 0.00 O ATOM 999 CB ASP A 67 7.881 -5.447 -6.614 1.00 0.00 C ATOM 1000 CG ASP A 67 9.232 -6.146 -6.449 1.00 0.00 C ATOM 1001 OD1 ASP A 67 9.902 -6.340 -7.450 1.00 0.00 O ATOM 1002 OD2 ASP A 67 9.572 -6.475 -5.326 1.00 0.00 O ATOM 0 H ASP A 67 8.006 -5.264 -9.140 1.00 0.00 H new ATOM 0 HA ASP A 67 7.034 -7.318 -7.265 1.00 0.00 H new ATOM 0 HB2 ASP A 67 8.025 -4.444 -7.017 1.00 0.00 H new ATOM 0 HB3 ASP A 67 7.397 -5.334 -5.644 1.00 0.00 H new ATOM 1007 N ALA A 68 4.682 -6.541 -6.859 1.00 0.00 N ATOM 1008 CA ALA A 68 3.261 -6.111 -6.733 1.00 0.00 C ATOM 1009 C ALA A 68 3.197 -4.770 -5.999 1.00 0.00 C ATOM 1010 O ALA A 68 4.117 -4.386 -5.304 1.00 0.00 O ATOM 1011 CB ALA A 68 2.478 -7.162 -5.943 1.00 0.00 C ATOM 0 H ALA A 68 4.897 -7.452 -6.454 1.00 0.00 H new ATOM 0 HA ALA A 68 2.825 -6.003 -7.726 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.438 -6.848 -5.851 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.523 -8.118 -6.465 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.914 -7.270 -4.950 1.00 0.00 H new ATOM 1017 N ILE A 69 2.116 -4.054 -6.147 1.00 0.00 N ATOM 1018 CA ILE A 69 1.993 -2.738 -5.458 1.00 0.00 C ATOM 1019 C ILE A 69 0.821 -2.784 -4.475 1.00 0.00 C ATOM 1020 O ILE A 69 0.981 -2.567 -3.291 1.00 0.00 O ATOM 1021 CB ILE A 69 1.745 -1.640 -6.494 1.00 0.00 C ATOM 1022 CG1 ILE A 69 2.987 -1.482 -7.374 1.00 0.00 C ATOM 1023 CG2 ILE A 69 1.457 -0.319 -5.781 1.00 0.00 C ATOM 1024 CD1 ILE A 69 4.188 -1.112 -6.502 1.00 0.00 C ATOM 0 H ILE A 69 1.313 -4.323 -6.715 1.00 0.00 H new ATOM 0 HA ILE A 69 2.915 -2.525 -4.916 1.00 0.00 H new ATOM 0 HB ILE A 69 0.890 -1.912 -7.113 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.186 -2.410 -7.910 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.818 -0.710 -8.125 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.281 0.462 -6.520 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.574 -0.430 -5.152 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.311 -0.046 -5.161 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.072 -1.000 -7.129 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.987 -0.173 -5.986 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.361 -1.899 -5.768 1.00 0.00 H new ATOM 1036 N ILE A 70 -0.358 -3.067 -4.958 1.00 0.00 N ATOM 1037 CA ILE A 70 -1.540 -3.127 -4.051 1.00 0.00 C ATOM 1038 C ILE A 70 -2.639 -3.970 -4.702 1.00 0.00 C ATOM 1039 O ILE A 70 -2.465 -4.510 -5.776 1.00 0.00 O ATOM 1040 CB ILE A 70 -2.064 -1.711 -3.801 1.00 0.00 C ATOM 1041 CG1 ILE A 70 -2.195 -0.974 -5.136 1.00 0.00 C ATOM 1042 CG2 ILE A 70 -1.088 -0.957 -2.898 1.00 0.00 C ATOM 1043 CD1 ILE A 70 -3.605 -1.178 -5.695 1.00 0.00 C ATOM 0 H ILE A 70 -0.554 -3.259 -5.940 1.00 0.00 H new ATOM 0 HA ILE A 70 -1.248 -3.579 -3.103 1.00 0.00 H new ATOM 0 HB ILE A 70 -3.039 -1.765 -3.317 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.997 0.089 -4.998 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -1.454 -1.347 -5.844 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.462 0.051 -2.720 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -0.993 -1.481 -1.947 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.113 -0.903 -3.382 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -3.699 -0.653 -6.646 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.785 -2.242 -5.848 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -4.337 -0.784 -4.989 1.00 0.00 H new ATOM 1055 N GLU A 71 -3.769 -4.085 -4.060 1.00 0.00 N ATOM 1056 CA GLU A 71 -4.878 -4.892 -4.643 1.00 0.00 C ATOM 1057 C GLU A 71 -6.187 -4.109 -4.540 1.00 0.00 C ATOM 1058 O GLU A 71 -6.562 -3.644 -3.482 1.00 0.00 O ATOM 1059 CB GLU A 71 -5.009 -6.209 -3.873 1.00 0.00 C ATOM 1060 CG GLU A 71 -3.825 -7.117 -4.208 1.00 0.00 C ATOM 1061 CD GLU A 71 -3.911 -8.397 -3.375 1.00 0.00 C ATOM 1062 OE1 GLU A 71 -4.035 -8.285 -2.167 1.00 0.00 O ATOM 1063 OE2 GLU A 71 -3.851 -9.466 -3.958 1.00 0.00 O ATOM 0 H GLU A 71 -3.972 -3.655 -3.158 1.00 0.00 H new ATOM 0 HA GLU A 71 -4.663 -5.103 -5.691 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -5.039 -6.014 -2.801 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -5.945 -6.703 -4.134 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -3.830 -7.361 -5.270 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -2.887 -6.600 -4.004 1.00 0.00 H new ATOM 1070 N LEU A 72 -6.886 -3.957 -5.632 1.00 0.00 N ATOM 1071 CA LEU A 72 -8.171 -3.202 -5.595 1.00 0.00 C ATOM 1072 C LEU A 72 -9.340 -4.187 -5.535 1.00 0.00 C ATOM 1073 O LEU A 72 -9.317 -5.233 -6.152 1.00 0.00 O ATOM 1074 CB LEU A 72 -8.292 -2.343 -6.856 1.00 0.00 C ATOM 1075 CG LEU A 72 -9.717 -1.798 -6.968 1.00 0.00 C ATOM 1076 CD1 LEU A 72 -9.670 -0.299 -7.267 1.00 0.00 C ATOM 1077 CD2 LEU A 72 -10.449 -2.520 -8.102 1.00 0.00 C ATOM 0 H LEU A 72 -6.623 -4.323 -6.547 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.191 -2.561 -4.714 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.579 -1.520 -6.818 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.048 -2.936 -7.737 1.00 0.00 H new ATOM 0 HG LEU A 72 -10.244 -1.964 -6.028 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -10.686 0.088 -7.347 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.147 0.217 -6.461 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -9.143 -0.132 -8.207 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.465 -2.133 -8.184 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -9.921 -2.353 -9.041 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -10.484 -3.589 -7.890 1.00 0.00 H new ATOM 1089 N GLU A 73 -10.365 -3.861 -4.795 1.00 0.00 N ATOM 1090 CA GLU A 73 -11.535 -4.777 -4.695 1.00 0.00 C ATOM 1091 C GLU A 73 -12.785 -4.068 -5.224 1.00 0.00 C ATOM 1092 O GLU A 73 -13.490 -3.419 -4.476 1.00 0.00 O ATOM 1093 CB GLU A 73 -11.753 -5.171 -3.233 1.00 0.00 C ATOM 1094 CG GLU A 73 -12.922 -6.152 -3.135 1.00 0.00 C ATOM 1095 CD GLU A 73 -14.029 -5.543 -2.273 1.00 0.00 C ATOM 1096 OE1 GLU A 73 -14.462 -4.446 -2.587 1.00 0.00 O ATOM 1097 OE2 GLU A 73 -14.425 -6.184 -1.313 1.00 0.00 O ATOM 0 H GLU A 73 -10.442 -2.999 -4.255 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.346 -5.672 -5.288 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -10.848 -5.626 -2.830 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -11.958 -4.284 -2.633 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -13.305 -6.379 -4.130 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -12.585 -7.093 -2.701 1.00 0.00 H new ATOM 1104 N PRO A 74 -13.021 -4.215 -6.503 1.00 0.00 N ATOM 1105 CA PRO A 74 -14.180 -3.599 -7.173 1.00 0.00 C ATOM 1106 C PRO A 74 -15.451 -4.404 -6.889 1.00 0.00 C ATOM 1107 O PRO A 74 -15.410 -5.454 -6.279 1.00 0.00 O ATOM 1108 CB PRO A 74 -13.811 -3.667 -8.658 1.00 0.00 C ATOM 1109 CG PRO A 74 -12.765 -4.799 -8.797 1.00 0.00 C ATOM 1110 CD PRO A 74 -12.154 -5.008 -7.399 1.00 0.00 C ATOM 0 HA PRO A 74 -14.383 -2.583 -6.834 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -14.691 -3.874 -9.268 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -13.402 -2.716 -9.001 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -13.232 -5.716 -9.157 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -11.995 -4.529 -9.520 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -12.150 -6.062 -7.120 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -11.120 -4.664 -7.360 1.00 0.00 H new ATOM 1118 N ALA A 75 -16.581 -3.920 -7.327 1.00 0.00 N ATOM 1119 CA ALA A 75 -17.853 -4.657 -7.081 1.00 0.00 C ATOM 1120 C ALA A 75 -17.872 -5.934 -7.923 1.00 0.00 C ATOM 1121 O ALA A 75 -16.884 -6.308 -8.523 1.00 0.00 O ATOM 1122 CB ALA A 75 -19.039 -3.771 -7.471 1.00 0.00 C ATOM 0 H ALA A 75 -16.678 -3.046 -7.844 1.00 0.00 H new ATOM 0 HA ALA A 75 -17.925 -4.917 -6.025 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -19.970 -4.309 -7.291 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -19.025 -2.860 -6.872 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -18.968 -3.512 -8.527 1.00 0.00 H new ATOM 1128 N ALA A 76 -18.988 -6.608 -7.971 1.00 0.00 N ATOM 1129 CA ALA A 76 -19.069 -7.861 -8.774 1.00 0.00 C ATOM 1130 C ALA A 76 -19.673 -7.549 -10.145 1.00 0.00 C ATOM 1131 O ALA A 76 -20.262 -8.400 -10.782 1.00 0.00 O ATOM 1132 CB ALA A 76 -19.951 -8.877 -8.047 1.00 0.00 C ATOM 0 H ALA A 76 -19.848 -6.345 -7.489 1.00 0.00 H new ATOM 0 HA ALA A 76 -18.069 -8.276 -8.903 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -20.010 -9.793 -8.634 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -19.521 -9.099 -7.070 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -20.951 -8.464 -7.918 1.00 0.00 H new ATOM 1138 N GLY A 77 -19.533 -6.336 -10.605 1.00 0.00 N ATOM 1139 CA GLY A 77 -20.100 -5.971 -11.934 1.00 0.00 C ATOM 1140 C GLY A 77 -19.759 -7.061 -12.952 1.00 0.00 C ATOM 1141 O GLY A 77 -20.558 -7.403 -13.800 1.00 0.00 O ATOM 0 H GLY A 77 -19.050 -5.581 -10.118 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -21.181 -5.853 -11.860 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -19.697 -5.013 -12.262 1.00 0.00 H new ATOM 1145 N ALA A 78 -18.578 -7.609 -12.874 1.00 0.00 N ATOM 1146 CA ALA A 78 -18.186 -8.677 -13.837 1.00 0.00 C ATOM 1147 C ALA A 78 -18.589 -10.042 -13.277 1.00 0.00 C ATOM 1148 O ALA A 78 -19.193 -10.139 -12.226 1.00 0.00 O ATOM 1149 CB ALA A 78 -16.673 -8.639 -14.053 1.00 0.00 C ATOM 0 H ALA A 78 -17.867 -7.364 -12.185 1.00 0.00 H new ATOM 0 HA ALA A 78 -18.692 -8.512 -14.788 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -16.386 -9.420 -14.757 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -16.387 -7.666 -14.453 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -16.166 -8.803 -13.102 1.00 0.00 H new ATOM 1155 N ARG A 79 -18.259 -11.098 -13.968 1.00 0.00 N ATOM 1156 CA ARG A 79 -18.623 -12.456 -13.474 1.00 0.00 C ATOM 1157 C ARG A 79 -17.410 -13.093 -12.791 1.00 0.00 C ATOM 1158 O ARG A 79 -17.236 -12.865 -11.605 1.00 0.00 O ATOM 1159 CB ARG A 79 -19.061 -13.328 -14.652 1.00 0.00 C ATOM 1160 CG ARG A 79 -20.408 -13.981 -14.332 1.00 0.00 C ATOM 1161 CD ARG A 79 -20.296 -15.496 -14.509 1.00 0.00 C ATOM 1162 NE ARG A 79 -19.571 -15.796 -15.775 1.00 0.00 N ATOM 1163 CZ ARG A 79 -18.368 -16.302 -15.734 1.00 0.00 C ATOM 1164 NH1 ARG A 79 -18.106 -17.299 -14.933 1.00 0.00 N ATOM 1165 NH2 ARG A 79 -17.427 -15.811 -16.493 1.00 0.00 N ATOM 0 H ARG A 79 -17.753 -11.079 -14.853 1.00 0.00 H new ATOM 0 HA ARG A 79 -19.442 -12.374 -12.759 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -19.144 -12.723 -15.555 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -18.311 -14.094 -14.849 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -20.705 -13.745 -13.310 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -21.182 -13.584 -14.989 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -19.767 -15.934 -13.662 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -21.289 -15.945 -14.531 1.00 0.00 H new ATOM 0 HE ARG A 79 -20.014 -15.606 -16.674 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -18.841 -17.683 -14.339 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -17.166 -17.694 -14.901 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -17.631 -15.032 -17.119 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -16.487 -16.207 -16.461 1.00 0.00 H new TER 1179 ARG A 79