USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 596 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 ALA N :NH3+ -104:sc= 1.26 (180deg=-0.491) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0471 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.249 USER MOD Single : A 20 THR OG1 : rot -3:sc= 1.08 USER MOD Single : A 22 HIS : no HD1:sc= -8.91! C(o=-8.9!,f=-16!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 83:sc= 0.691 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 166:sc=6.85e-05 (180deg=0) USER MOD Single : A 61 ASN :FLIP amide:sc= 0 F(o=-0.74,f=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= -0.139 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot -125:sc= 0.259 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -11.299 7.624 0.576 1.00 0.00 N ATOM 2 CA ALA A 1 -10.297 8.673 0.236 1.00 0.00 C ATOM 3 C ALA A 1 -8.939 8.295 0.832 1.00 0.00 C ATOM 4 O ALA A 1 -8.636 8.618 1.963 1.00 0.00 O ATOM 5 CB ALA A 1 -10.751 10.016 0.810 1.00 0.00 C ATOM 0 H1 ALA A 1 -11.479 7.032 -0.260 1.00 0.00 H new ATOM 0 H2 ALA A 1 -10.932 7.031 1.348 1.00 0.00 H new ATOM 0 H3 ALA A 1 -12.186 8.076 0.878 1.00 0.00 H new ATOM 0 HA ALA A 1 -10.208 8.753 -0.847 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -10.019 10.784 0.562 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -11.718 10.285 0.385 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -10.841 9.937 1.893 1.00 0.00 H new ATOM 13 N ILE A 2 -8.120 7.612 0.081 1.00 0.00 N ATOM 14 CA ILE A 2 -6.784 7.215 0.605 1.00 0.00 C ATOM 15 C ILE A 2 -5.781 7.151 -0.549 1.00 0.00 C ATOM 16 O ILE A 2 -5.984 6.452 -1.521 1.00 0.00 O ATOM 17 CB ILE A 2 -6.884 5.841 1.270 1.00 0.00 C ATOM 18 CG1 ILE A 2 -8.241 5.711 1.966 1.00 0.00 C ATOM 19 CG2 ILE A 2 -5.766 5.689 2.303 1.00 0.00 C ATOM 20 CD1 ILE A 2 -8.452 4.261 2.407 1.00 0.00 C ATOM 0 H ILE A 2 -8.319 7.312 -0.873 1.00 0.00 H new ATOM 0 HA ILE A 2 -6.449 7.950 1.337 1.00 0.00 H new ATOM 0 HB ILE A 2 -6.786 5.063 0.513 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -8.284 6.375 2.830 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -9.039 6.016 1.290 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -5.838 4.710 2.776 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -4.799 5.783 1.809 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -5.863 6.466 3.061 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -9.418 4.168 2.903 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -8.428 3.608 1.534 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -7.660 3.972 3.098 1.00 0.00 H new ATOM 32 N ASP A 3 -4.700 7.875 -0.448 1.00 0.00 N ATOM 33 CA ASP A 3 -3.685 7.855 -1.540 1.00 0.00 C ATOM 34 C ASP A 3 -2.962 6.507 -1.540 1.00 0.00 C ATOM 35 O ASP A 3 -2.822 5.867 -0.517 1.00 0.00 O ATOM 36 CB ASP A 3 -2.672 8.978 -1.313 1.00 0.00 C ATOM 37 CG ASP A 3 -1.608 8.934 -2.411 1.00 0.00 C ATOM 38 OD1 ASP A 3 -1.962 9.135 -3.561 1.00 0.00 O ATOM 39 OD2 ASP A 3 -0.456 8.699 -2.084 1.00 0.00 O ATOM 0 H ASP A 3 -4.476 8.479 0.343 1.00 0.00 H new ATOM 0 HA ASP A 3 -4.180 8.001 -2.500 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -3.177 9.944 -1.319 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -2.205 8.869 -0.334 1.00 0.00 H new ATOM 44 N ILE A 4 -2.501 6.070 -2.680 1.00 0.00 N ATOM 45 CA ILE A 4 -1.787 4.764 -2.744 1.00 0.00 C ATOM 46 C ILE A 4 -0.432 4.958 -3.426 1.00 0.00 C ATOM 47 O ILE A 4 -0.229 4.549 -4.553 1.00 0.00 O ATOM 48 CB ILE A 4 -2.623 3.765 -3.544 1.00 0.00 C ATOM 49 CG1 ILE A 4 -4.029 3.682 -2.944 1.00 0.00 C ATOM 50 CG2 ILE A 4 -1.964 2.386 -3.488 1.00 0.00 C ATOM 51 CD1 ILE A 4 -5.067 3.735 -4.067 1.00 0.00 C ATOM 0 H ILE A 4 -2.588 6.561 -3.570 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.634 4.383 -1.734 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.688 4.094 -4.581 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -4.139 2.759 -2.376 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.188 4.506 -2.248 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -2.561 1.674 -4.059 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.962 2.444 -3.914 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.899 2.056 -2.451 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -6.068 3.676 -3.640 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.961 4.671 -4.616 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -4.912 2.896 -4.746 1.00 0.00 H new ATOM 63 N LYS A 5 0.499 5.577 -2.754 1.00 0.00 N ATOM 64 CA LYS A 5 1.841 5.796 -3.365 1.00 0.00 C ATOM 65 C LYS A 5 2.828 4.766 -2.811 1.00 0.00 C ATOM 66 O LYS A 5 2.546 4.078 -1.850 1.00 0.00 O ATOM 67 CB LYS A 5 2.331 7.206 -3.027 1.00 0.00 C ATOM 68 CG LYS A 5 2.280 7.415 -1.513 1.00 0.00 C ATOM 69 CD LYS A 5 3.221 8.556 -1.122 1.00 0.00 C ATOM 70 CE LYS A 5 2.600 9.363 0.018 1.00 0.00 C ATOM 71 NZ LYS A 5 3.031 8.788 1.324 1.00 0.00 N ATOM 0 H LYS A 5 0.389 5.941 -1.808 1.00 0.00 H new ATOM 0 HA LYS A 5 1.770 5.686 -4.447 1.00 0.00 H new ATOM 0 HB2 LYS A 5 3.349 7.345 -3.390 1.00 0.00 H new ATOM 0 HB3 LYS A 5 1.710 7.948 -3.528 1.00 0.00 H new ATOM 0 HG2 LYS A 5 1.261 7.647 -1.202 1.00 0.00 H new ATOM 0 HG3 LYS A 5 2.570 6.499 -0.999 1.00 0.00 H new ATOM 0 HD2 LYS A 5 4.187 8.155 -0.814 1.00 0.00 H new ATOM 0 HD3 LYS A 5 3.403 9.202 -1.981 1.00 0.00 H new ATOM 0 HE2 LYS A 5 2.907 10.407 -0.051 1.00 0.00 H new ATOM 0 HE3 LYS A 5 1.513 9.345 -0.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 2.609 9.336 2.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 2.717 7.799 1.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 4.068 8.828 1.396 1.00 0.00 H new ATOM 85 N ALA A 6 3.982 4.656 -3.409 1.00 0.00 N ATOM 86 CA ALA A 6 4.985 3.671 -2.916 1.00 0.00 C ATOM 87 C ALA A 6 5.467 4.088 -1.523 1.00 0.00 C ATOM 88 O ALA A 6 5.365 5.240 -1.152 1.00 0.00 O ATOM 89 CB ALA A 6 6.176 3.631 -3.877 1.00 0.00 C ATOM 0 H ALA A 6 4.274 5.205 -4.217 1.00 0.00 H new ATOM 0 HA ALA A 6 4.528 2.683 -2.862 1.00 0.00 H new ATOM 0 HB1 ALA A 6 6.910 2.910 -3.517 1.00 0.00 H new ATOM 0 HB2 ALA A 6 5.834 3.335 -4.869 1.00 0.00 H new ATOM 0 HB3 ALA A 6 6.633 4.619 -3.931 1.00 0.00 H new ATOM 95 N PRO A 7 5.981 3.130 -0.793 1.00 0.00 N ATOM 96 CA PRO A 7 6.492 3.358 0.569 1.00 0.00 C ATOM 97 C PRO A 7 7.877 4.011 0.518 1.00 0.00 C ATOM 98 O PRO A 7 8.494 4.099 -0.523 1.00 0.00 O ATOM 99 CB PRO A 7 6.575 1.948 1.162 1.00 0.00 C ATOM 100 CG PRO A 7 6.655 0.975 -0.038 1.00 0.00 C ATOM 101 CD PRO A 7 6.099 1.733 -1.258 1.00 0.00 C ATOM 0 HA PRO A 7 5.863 4.026 1.157 1.00 0.00 H new ATOM 0 HB2 PRO A 7 7.451 1.847 1.803 1.00 0.00 H new ATOM 0 HB3 PRO A 7 5.702 1.734 1.779 1.00 0.00 H new ATOM 0 HG2 PRO A 7 7.684 0.660 -0.213 1.00 0.00 H new ATOM 0 HG3 PRO A 7 6.074 0.073 0.155 1.00 0.00 H new ATOM 0 HD2 PRO A 7 6.768 1.654 -2.115 1.00 0.00 H new ATOM 0 HD3 PRO A 7 5.134 1.334 -1.569 1.00 0.00 H new ATOM 109 N THR A 8 8.367 4.470 1.637 1.00 0.00 N ATOM 110 CA THR A 8 9.710 5.117 1.652 1.00 0.00 C ATOM 111 C THR A 8 10.795 4.041 1.580 1.00 0.00 C ATOM 112 O THR A 8 10.680 2.989 2.176 1.00 0.00 O ATOM 113 CB THR A 8 9.874 5.923 2.943 1.00 0.00 C ATOM 114 OG1 THR A 8 8.594 6.192 3.496 1.00 0.00 O ATOM 115 CG2 THR A 8 10.589 7.240 2.638 1.00 0.00 C ATOM 0 H THR A 8 7.896 4.425 2.541 1.00 0.00 H new ATOM 0 HA THR A 8 9.802 5.783 0.794 1.00 0.00 H new ATOM 0 HB THR A 8 10.465 5.350 3.657 1.00 0.00 H new ATOM 0 HG1 THR A 8 8.697 6.707 4.324 1.00 0.00 H new ATOM 0 HG21 THR A 8 10.705 7.813 3.558 1.00 0.00 H new ATOM 0 HG22 THR A 8 11.571 7.031 2.214 1.00 0.00 H new ATOM 0 HG23 THR A 8 10.001 7.816 1.924 1.00 0.00 H new ATOM 123 N PHE A 9 11.850 4.296 0.854 1.00 0.00 N ATOM 124 CA PHE A 9 12.941 3.288 0.745 1.00 0.00 C ATOM 125 C PHE A 9 14.161 3.769 1.536 1.00 0.00 C ATOM 126 O PHE A 9 14.356 4.954 1.712 1.00 0.00 O ATOM 127 CB PHE A 9 13.324 3.109 -0.726 1.00 0.00 C ATOM 128 CG PHE A 9 12.097 2.743 -1.526 1.00 0.00 C ATOM 129 CD1 PHE A 9 11.151 1.857 -0.992 1.00 0.00 C ATOM 130 CD2 PHE A 9 11.905 3.290 -2.801 1.00 0.00 C ATOM 131 CE1 PHE A 9 10.013 1.518 -1.734 1.00 0.00 C ATOM 132 CE2 PHE A 9 10.766 2.951 -3.544 1.00 0.00 C ATOM 133 CZ PHE A 9 9.820 2.065 -3.010 1.00 0.00 C ATOM 0 H PHE A 9 12.003 5.159 0.332 1.00 0.00 H new ATOM 0 HA PHE A 9 12.598 2.336 1.150 1.00 0.00 H new ATOM 0 HB2 PHE A 9 13.762 4.029 -1.113 1.00 0.00 H new ATOM 0 HB3 PHE A 9 14.080 2.330 -0.824 1.00 0.00 H new ATOM 0 HD1 PHE A 9 11.300 1.436 -0.009 1.00 0.00 H new ATOM 0 HD2 PHE A 9 12.634 3.973 -3.211 1.00 0.00 H new ATOM 0 HE1 PHE A 9 9.284 0.835 -1.323 1.00 0.00 H new ATOM 0 HE2 PHE A 9 10.617 3.372 -4.527 1.00 0.00 H new ATOM 0 HZ PHE A 9 8.942 1.804 -3.582 1.00 0.00 H new ATOM 143 N PRO A 10 14.947 2.826 1.990 1.00 0.00 N ATOM 144 CA PRO A 10 16.164 3.114 2.771 1.00 0.00 C ATOM 145 C PRO A 10 17.298 3.562 1.845 1.00 0.00 C ATOM 146 O PRO A 10 17.218 3.431 0.640 1.00 0.00 O ATOM 147 CB PRO A 10 16.493 1.771 3.429 1.00 0.00 C ATOM 148 CG PRO A 10 15.811 0.683 2.566 1.00 0.00 C ATOM 149 CD PRO A 10 14.697 1.387 1.769 1.00 0.00 C ATOM 0 HA PRO A 10 16.030 3.917 3.496 1.00 0.00 H new ATOM 0 HB2 PRO A 10 17.571 1.613 3.472 1.00 0.00 H new ATOM 0 HB3 PRO A 10 16.125 1.740 4.455 1.00 0.00 H new ATOM 0 HG2 PRO A 10 16.530 0.214 1.895 1.00 0.00 H new ATOM 0 HG3 PRO A 10 15.398 -0.107 3.194 1.00 0.00 H new ATOM 0 HD2 PRO A 10 14.743 1.133 0.710 1.00 0.00 H new ATOM 0 HD3 PRO A 10 13.708 1.095 2.124 1.00 0.00 H new ATOM 157 N GLU A 11 18.355 4.091 2.399 1.00 0.00 N ATOM 158 CA GLU A 11 19.491 4.546 1.551 1.00 0.00 C ATOM 159 C GLU A 11 19.874 3.436 0.570 1.00 0.00 C ATOM 160 O GLU A 11 19.936 3.647 -0.626 1.00 0.00 O ATOM 161 CB GLU A 11 20.692 4.876 2.441 1.00 0.00 C ATOM 162 CG GLU A 11 20.820 6.393 2.586 1.00 0.00 C ATOM 163 CD GLU A 11 20.917 6.758 4.069 1.00 0.00 C ATOM 164 OE1 GLU A 11 21.515 5.995 4.809 1.00 0.00 O ATOM 165 OE2 GLU A 11 20.390 7.795 4.439 1.00 0.00 O ATOM 0 H GLU A 11 18.480 4.227 3.402 1.00 0.00 H new ATOM 0 HA GLU A 11 19.195 5.435 0.995 1.00 0.00 H new ATOM 0 HB2 GLU A 11 20.569 4.416 3.421 1.00 0.00 H new ATOM 0 HB3 GLU A 11 21.603 4.464 2.008 1.00 0.00 H new ATOM 0 HG2 GLU A 11 21.704 6.746 2.055 1.00 0.00 H new ATOM 0 HG3 GLU A 11 19.959 6.886 2.135 1.00 0.00 H new ATOM 172 N SER A 12 20.130 2.257 1.066 1.00 0.00 N ATOM 173 CA SER A 12 20.508 1.132 0.166 1.00 0.00 C ATOM 174 C SER A 12 19.612 1.142 -1.073 1.00 0.00 C ATOM 175 O SER A 12 20.081 1.061 -2.191 1.00 0.00 O ATOM 176 CB SER A 12 20.338 -0.193 0.908 1.00 0.00 C ATOM 177 OG SER A 12 20.891 -1.243 0.125 1.00 0.00 O ATOM 0 H SER A 12 20.094 2.024 2.058 1.00 0.00 H new ATOM 0 HA SER A 12 21.548 1.247 -0.140 1.00 0.00 H new ATOM 0 HB2 SER A 12 20.834 -0.147 1.878 1.00 0.00 H new ATOM 0 HB3 SER A 12 19.282 -0.383 1.099 1.00 0.00 H new ATOM 0 HG SER A 12 20.785 -2.095 0.598 1.00 0.00 H new ATOM 183 N ILE A 13 18.324 1.240 -0.885 1.00 0.00 N ATOM 184 CA ILE A 13 17.399 1.254 -2.053 1.00 0.00 C ATOM 185 C ILE A 13 17.062 2.701 -2.417 1.00 0.00 C ATOM 186 O ILE A 13 16.551 3.453 -1.610 1.00 0.00 O ATOM 187 CB ILE A 13 16.114 0.505 -1.695 1.00 0.00 C ATOM 188 CG1 ILE A 13 16.470 -0.824 -1.023 1.00 0.00 C ATOM 189 CG2 ILE A 13 15.310 0.232 -2.968 1.00 0.00 C ATOM 190 CD1 ILE A 13 15.203 -1.463 -0.452 1.00 0.00 C ATOM 0 H ILE A 13 17.873 1.311 0.027 1.00 0.00 H new ATOM 0 HA ILE A 13 17.878 0.767 -2.903 1.00 0.00 H new ATOM 0 HB ILE A 13 15.518 1.111 -1.012 1.00 0.00 H new ATOM 0 HG12 ILE A 13 16.935 -1.495 -1.745 1.00 0.00 H new ATOM 0 HG13 ILE A 13 17.197 -0.658 -0.228 1.00 0.00 H new ATOM 0 HG21 ILE A 13 14.395 -0.302 -2.713 1.00 0.00 H new ATOM 0 HG22 ILE A 13 15.057 1.177 -3.448 1.00 0.00 H new ATOM 0 HG23 ILE A 13 15.905 -0.374 -3.651 1.00 0.00 H new ATOM 0 HD11 ILE A 13 15.456 -2.409 0.026 1.00 0.00 H new ATOM 0 HD12 ILE A 13 14.757 -0.793 0.283 1.00 0.00 H new ATOM 0 HD13 ILE A 13 14.491 -1.643 -1.258 1.00 0.00 H new ATOM 202 N ALA A 14 17.342 3.098 -3.629 1.00 0.00 N ATOM 203 CA ALA A 14 17.037 4.496 -4.043 1.00 0.00 C ATOM 204 C ALA A 14 15.749 4.513 -4.869 1.00 0.00 C ATOM 205 O ALA A 14 15.408 5.504 -5.485 1.00 0.00 O ATOM 206 CB ALA A 14 18.190 5.041 -4.889 1.00 0.00 C ATOM 0 H ALA A 14 17.768 2.515 -4.349 1.00 0.00 H new ATOM 0 HA ALA A 14 16.910 5.118 -3.157 1.00 0.00 H new ATOM 0 HB1 ALA A 14 17.967 6.064 -5.192 1.00 0.00 H new ATOM 0 HB2 ALA A 14 19.109 5.028 -4.303 1.00 0.00 H new ATOM 0 HB3 ALA A 14 18.316 4.419 -5.775 1.00 0.00 H new ATOM 212 N ASP A 15 15.028 3.425 -4.884 1.00 0.00 N ATOM 213 CA ASP A 15 13.763 3.381 -5.670 1.00 0.00 C ATOM 214 C ASP A 15 13.076 2.032 -5.452 1.00 0.00 C ATOM 215 O ASP A 15 13.462 1.257 -4.602 1.00 0.00 O ATOM 216 CB ASP A 15 14.078 3.560 -7.157 1.00 0.00 C ATOM 217 CG ASP A 15 15.425 2.909 -7.475 1.00 0.00 C ATOM 218 OD1 ASP A 15 15.695 1.853 -6.928 1.00 0.00 O ATOM 219 OD2 ASP A 15 16.165 3.478 -8.262 1.00 0.00 O ATOM 0 H ASP A 15 15.260 2.566 -4.386 1.00 0.00 H new ATOM 0 HA ASP A 15 13.102 4.183 -5.341 1.00 0.00 H new ATOM 0 HB2 ASP A 15 13.292 3.109 -7.763 1.00 0.00 H new ATOM 0 HB3 ASP A 15 14.106 4.620 -7.409 1.00 0.00 H new ATOM 224 N GLY A 16 12.057 1.744 -6.217 1.00 0.00 N ATOM 225 CA GLY A 16 11.346 0.446 -6.053 1.00 0.00 C ATOM 226 C GLY A 16 10.733 0.026 -7.390 1.00 0.00 C ATOM 227 O GLY A 16 10.956 0.648 -8.409 1.00 0.00 O ATOM 0 H GLY A 16 11.687 2.352 -6.948 1.00 0.00 H new ATOM 0 HA2 GLY A 16 12.039 -0.319 -5.703 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.566 0.540 -5.297 1.00 0.00 H new ATOM 231 N THR A 17 9.959 -1.026 -7.394 1.00 0.00 N ATOM 232 CA THR A 17 9.332 -1.484 -8.666 1.00 0.00 C ATOM 233 C THR A 17 7.996 -2.161 -8.359 1.00 0.00 C ATOM 234 O THR A 17 7.915 -3.053 -7.538 1.00 0.00 O ATOM 235 CB THR A 17 10.262 -2.480 -9.363 1.00 0.00 C ATOM 236 OG1 THR A 17 11.601 -2.015 -9.279 1.00 0.00 O ATOM 237 CG2 THR A 17 9.858 -2.616 -10.832 1.00 0.00 C ATOM 0 H THR A 17 9.734 -1.587 -6.572 1.00 0.00 H new ATOM 0 HA THR A 17 9.164 -0.627 -9.319 1.00 0.00 H new ATOM 0 HB THR A 17 10.184 -3.452 -8.876 1.00 0.00 H new ATOM 0 HG1 THR A 17 12.197 -2.653 -9.724 1.00 0.00 H new ATOM 0 HG21 THR A 17 10.521 -3.325 -11.327 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.831 -2.974 -10.895 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.934 -1.645 -11.322 1.00 0.00 H new ATOM 245 N VAL A 18 6.945 -1.745 -9.012 1.00 0.00 N ATOM 246 CA VAL A 18 5.615 -2.366 -8.755 1.00 0.00 C ATOM 247 C VAL A 18 5.717 -3.882 -8.936 1.00 0.00 C ATOM 248 O VAL A 18 6.660 -4.386 -9.511 1.00 0.00 O ATOM 249 CB VAL A 18 4.590 -1.804 -9.741 1.00 0.00 C ATOM 250 CG1 VAL A 18 3.210 -2.387 -9.431 1.00 0.00 C ATOM 251 CG2 VAL A 18 4.539 -0.279 -9.606 1.00 0.00 C ATOM 0 H VAL A 18 6.950 -1.003 -9.712 1.00 0.00 H new ATOM 0 HA VAL A 18 5.300 -2.141 -7.736 1.00 0.00 H new ATOM 0 HB VAL A 18 4.878 -2.072 -10.757 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.480 -1.986 -10.134 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.245 -3.473 -9.523 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.921 -2.118 -8.415 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.809 0.124 -10.308 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.250 -0.013 -8.589 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.522 0.139 -9.825 1.00 0.00 H new ATOM 261 N ALA A 19 4.751 -4.613 -8.449 1.00 0.00 N ATOM 262 CA ALA A 19 4.793 -6.096 -8.594 1.00 0.00 C ATOM 263 C ALA A 19 3.718 -6.543 -9.585 1.00 0.00 C ATOM 264 O ALA A 19 4.007 -6.910 -10.706 1.00 0.00 O ATOM 265 CB ALA A 19 4.536 -6.748 -7.234 1.00 0.00 C ATOM 0 H ALA A 19 3.935 -4.248 -7.957 1.00 0.00 H new ATOM 0 HA ALA A 19 5.774 -6.397 -8.963 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.566 -7.833 -7.339 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.303 -6.430 -6.527 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.555 -6.447 -6.865 1.00 0.00 H new ATOM 271 N THR A 20 2.476 -6.515 -9.181 1.00 0.00 N ATOM 272 CA THR A 20 1.384 -6.939 -10.101 1.00 0.00 C ATOM 273 C THR A 20 0.059 -6.333 -9.634 1.00 0.00 C ATOM 274 O THR A 20 -0.265 -6.351 -8.464 1.00 0.00 O ATOM 275 CB THR A 20 1.275 -8.467 -10.095 1.00 0.00 C ATOM 276 OG1 THR A 20 2.401 -9.022 -10.760 1.00 0.00 O ATOM 277 CG2 THR A 20 -0.006 -8.892 -10.812 1.00 0.00 C ATOM 0 H THR A 20 2.172 -6.217 -8.254 1.00 0.00 H new ATOM 0 HA THR A 20 1.606 -6.594 -11.111 1.00 0.00 H new ATOM 0 HB THR A 20 1.247 -8.826 -9.066 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.964 -8.300 -11.109 1.00 0.00 H new ATOM 0 HG21 THR A 20 -0.082 -9.979 -10.807 1.00 0.00 H new ATOM 0 HG22 THR A 20 -0.868 -8.465 -10.300 1.00 0.00 H new ATOM 0 HG23 THR A 20 0.018 -8.535 -11.842 1.00 0.00 H new ATOM 285 N TRP A 21 -0.708 -5.792 -10.540 1.00 0.00 N ATOM 286 CA TRP A 21 -2.004 -5.185 -10.157 1.00 0.00 C ATOM 287 C TRP A 21 -3.106 -6.246 -10.221 1.00 0.00 C ATOM 288 O TRP A 21 -3.797 -6.374 -11.213 1.00 0.00 O ATOM 289 CB TRP A 21 -2.321 -4.057 -11.132 1.00 0.00 C ATOM 290 CG TRP A 21 -1.767 -2.771 -10.609 1.00 0.00 C ATOM 291 CD1 TRP A 21 -0.592 -2.216 -10.990 1.00 0.00 C ATOM 292 CD2 TRP A 21 -2.342 -1.871 -9.619 1.00 0.00 C ATOM 293 NE1 TRP A 21 -0.413 -1.033 -10.294 1.00 0.00 N ATOM 294 CE2 TRP A 21 -1.461 -0.780 -9.441 1.00 0.00 C ATOM 295 CE3 TRP A 21 -3.531 -1.894 -8.866 1.00 0.00 C ATOM 296 CZ2 TRP A 21 -1.743 0.251 -8.553 1.00 0.00 C ATOM 297 CZ3 TRP A 21 -3.822 -0.854 -7.965 1.00 0.00 C ATOM 298 CH2 TRP A 21 -2.928 0.217 -7.809 1.00 0.00 C ATOM 0 H TRP A 21 -0.487 -5.746 -11.535 1.00 0.00 H new ATOM 0 HA TRP A 21 -1.947 -4.793 -9.141 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -1.894 -4.278 -12.110 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -3.399 -3.972 -11.267 1.00 0.00 H new ATOM 0 HD1 TRP A 21 0.092 -2.628 -11.717 1.00 0.00 H new ATOM 0 HE1 TRP A 21 0.398 -0.423 -10.401 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -4.224 -2.715 -8.981 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -1.052 1.073 -8.438 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -4.737 -0.879 -7.391 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -3.154 1.014 -7.116 1.00 0.00 H new ATOM 309 N HIS A 22 -3.270 -7.009 -9.175 1.00 0.00 N ATOM 310 CA HIS A 22 -4.330 -8.069 -9.182 1.00 0.00 C ATOM 311 C HIS A 22 -5.612 -7.505 -9.800 1.00 0.00 C ATOM 312 O HIS A 22 -6.099 -7.996 -10.799 1.00 0.00 O ATOM 313 CB HIS A 22 -4.630 -8.543 -7.753 1.00 0.00 C ATOM 314 CG HIS A 22 -3.380 -8.473 -6.929 1.00 0.00 C ATOM 315 ND1 HIS A 22 -2.962 -7.294 -6.341 1.00 0.00 N ATOM 316 CD2 HIS A 22 -2.421 -9.406 -6.629 1.00 0.00 C ATOM 317 CE1 HIS A 22 -1.794 -7.537 -5.733 1.00 0.00 C ATOM 318 NE2 HIS A 22 -1.416 -8.812 -5.872 1.00 0.00 N ATOM 0 H HIS A 22 -2.721 -6.948 -8.317 1.00 0.00 H new ATOM 0 HA HIS A 22 -3.971 -8.915 -9.769 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -5.407 -7.921 -7.308 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -5.010 -9.564 -7.770 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -2.442 -10.442 -6.933 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -1.226 -6.793 -5.195 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -0.574 -9.253 -5.503 1.00 0.00 H new ATOM 326 N LYS A 23 -6.162 -6.478 -9.212 1.00 0.00 N ATOM 327 CA LYS A 23 -7.413 -5.886 -9.764 1.00 0.00 C ATOM 328 C LYS A 23 -7.073 -4.632 -10.573 1.00 0.00 C ATOM 329 O LYS A 23 -5.921 -4.329 -10.815 1.00 0.00 O ATOM 330 CB LYS A 23 -8.350 -5.512 -8.615 1.00 0.00 C ATOM 331 CG LYS A 23 -8.265 -6.576 -7.519 1.00 0.00 C ATOM 332 CD LYS A 23 -8.594 -7.948 -8.113 1.00 0.00 C ATOM 333 CE LYS A 23 -9.906 -8.461 -7.519 1.00 0.00 C ATOM 334 NZ LYS A 23 -10.861 -8.773 -8.619 1.00 0.00 N ATOM 0 H LYS A 23 -5.799 -6.024 -8.374 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.903 -6.613 -10.411 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.077 -4.537 -8.212 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.374 -5.431 -8.979 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.266 -6.586 -7.084 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -8.961 -6.340 -6.714 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.677 -7.876 -9.197 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.788 -8.650 -7.901 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.722 -9.352 -6.919 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -10.334 -7.711 -6.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.754 -9.122 -8.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -11.045 -7.913 -9.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -10.452 -9.503 -9.237 1.00 0.00 H new ATOM 348 N LYS A 24 -8.068 -3.900 -10.993 1.00 0.00 N ATOM 349 CA LYS A 24 -7.807 -2.667 -11.787 1.00 0.00 C ATOM 350 C LYS A 24 -8.478 -1.470 -11.107 1.00 0.00 C ATOM 351 O LYS A 24 -9.266 -1.637 -10.197 1.00 0.00 O ATOM 352 CB LYS A 24 -8.378 -2.837 -13.196 1.00 0.00 C ATOM 353 CG LYS A 24 -7.230 -2.934 -14.204 1.00 0.00 C ATOM 354 CD LYS A 24 -7.795 -2.894 -15.626 1.00 0.00 C ATOM 355 CE LYS A 24 -7.407 -4.176 -16.365 1.00 0.00 C ATOM 356 NZ LYS A 24 -8.444 -5.219 -16.127 1.00 0.00 N ATOM 0 H LYS A 24 -9.052 -4.103 -10.820 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.732 -2.496 -11.848 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.995 -3.734 -13.244 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -9.023 -1.993 -13.443 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.531 -2.111 -14.056 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -6.672 -3.858 -14.049 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.880 -2.794 -15.595 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.409 -2.024 -16.158 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.313 -3.979 -17.433 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -6.435 -4.528 -16.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -8.181 -6.091 -16.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.513 -5.414 -15.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -9.363 -4.881 -16.478 1.00 0.00 H new ATOM 370 N PRO A 25 -8.146 -0.295 -11.576 1.00 0.00 N ATOM 371 CA PRO A 25 -8.700 0.961 -11.040 1.00 0.00 C ATOM 372 C PRO A 25 -10.131 1.171 -11.543 1.00 0.00 C ATOM 373 O PRO A 25 -10.352 1.703 -12.612 1.00 0.00 O ATOM 374 CB PRO A 25 -7.762 2.035 -11.597 1.00 0.00 C ATOM 375 CG PRO A 25 -7.089 1.418 -12.846 1.00 0.00 C ATOM 376 CD PRO A 25 -7.187 -0.110 -12.685 1.00 0.00 C ATOM 0 HA PRO A 25 -8.756 0.975 -9.952 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -8.315 2.937 -11.859 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.016 2.323 -10.856 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -7.589 1.745 -13.758 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -6.049 1.734 -12.922 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -7.540 -0.585 -13.600 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -6.217 -0.549 -12.451 1.00 0.00 H new ATOM 384 N GLY A 26 -11.105 0.756 -10.779 1.00 0.00 N ATOM 385 CA GLY A 26 -12.519 0.931 -11.213 1.00 0.00 C ATOM 386 C GLY A 26 -13.380 -0.181 -10.611 1.00 0.00 C ATOM 387 O GLY A 26 -14.590 -0.083 -10.559 1.00 0.00 O ATOM 0 H GLY A 26 -10.982 0.303 -9.873 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -12.890 1.905 -10.895 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -12.582 0.906 -12.301 1.00 0.00 H new ATOM 391 N GLU A 27 -12.766 -1.239 -10.157 1.00 0.00 N ATOM 392 CA GLU A 27 -13.551 -2.355 -9.559 1.00 0.00 C ATOM 393 C GLU A 27 -13.825 -2.055 -8.084 1.00 0.00 C ATOM 394 O GLU A 27 -13.286 -1.123 -7.521 1.00 0.00 O ATOM 395 CB GLU A 27 -12.754 -3.657 -9.675 1.00 0.00 C ATOM 396 CG GLU A 27 -11.469 -3.544 -8.850 1.00 0.00 C ATOM 397 CD GLU A 27 -11.609 -4.369 -7.571 1.00 0.00 C ATOM 398 OE1 GLU A 27 -11.577 -5.586 -7.666 1.00 0.00 O ATOM 399 OE2 GLU A 27 -11.745 -3.772 -6.515 1.00 0.00 O ATOM 0 H GLU A 27 -11.756 -1.379 -10.174 1.00 0.00 H new ATOM 0 HA GLU A 27 -14.497 -2.458 -10.090 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -13.354 -4.496 -9.321 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.512 -3.856 -10.719 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.618 -3.898 -9.432 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.274 -2.501 -8.603 1.00 0.00 H new ATOM 406 N ALA A 28 -14.658 -2.837 -7.454 1.00 0.00 N ATOM 407 CA ALA A 28 -14.967 -2.594 -6.017 1.00 0.00 C ATOM 408 C ALA A 28 -14.078 -3.487 -5.148 1.00 0.00 C ATOM 409 O ALA A 28 -14.011 -4.685 -5.338 1.00 0.00 O ATOM 410 CB ALA A 28 -16.437 -2.921 -5.748 1.00 0.00 C ATOM 0 H ALA A 28 -15.138 -3.634 -7.872 1.00 0.00 H new ATOM 0 HA ALA A 28 -14.779 -1.548 -5.776 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -16.663 -2.743 -4.697 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -17.070 -2.286 -6.368 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -16.627 -3.967 -5.988 1.00 0.00 H new ATOM 416 N VAL A 29 -13.396 -2.913 -4.195 1.00 0.00 N ATOM 417 CA VAL A 29 -12.514 -3.730 -3.315 1.00 0.00 C ATOM 418 C VAL A 29 -13.261 -4.077 -2.025 1.00 0.00 C ATOM 419 O VAL A 29 -14.442 -3.827 -1.894 1.00 0.00 O ATOM 420 CB VAL A 29 -11.253 -2.933 -2.975 1.00 0.00 C ATOM 421 CG1 VAL A 29 -10.404 -2.760 -4.235 1.00 0.00 C ATOM 422 CG2 VAL A 29 -11.652 -1.556 -2.437 1.00 0.00 C ATOM 0 H VAL A 29 -13.411 -1.914 -3.988 1.00 0.00 H new ATOM 0 HA VAL A 29 -12.235 -4.648 -3.832 1.00 0.00 H new ATOM 0 HB VAL A 29 -10.677 -3.467 -2.219 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -9.506 -2.192 -3.993 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -10.121 -3.740 -4.621 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -10.979 -2.225 -4.991 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -10.755 -0.986 -2.194 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -12.227 -1.022 -3.194 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -12.259 -1.678 -1.540 1.00 0.00 H new ATOM 432 N LYS A 30 -12.581 -4.655 -1.072 1.00 0.00 N ATOM 433 CA LYS A 30 -13.253 -5.018 0.207 1.00 0.00 C ATOM 434 C LYS A 30 -12.248 -4.920 1.357 1.00 0.00 C ATOM 435 O LYS A 30 -11.116 -5.345 1.241 1.00 0.00 O ATOM 436 CB LYS A 30 -13.787 -6.448 0.114 1.00 0.00 C ATOM 437 CG LYS A 30 -15.309 -6.418 -0.031 1.00 0.00 C ATOM 438 CD LYS A 30 -15.957 -6.852 1.285 1.00 0.00 C ATOM 439 CE LYS A 30 -17.305 -7.518 0.997 1.00 0.00 C ATOM 440 NZ LYS A 30 -17.341 -8.864 1.633 1.00 0.00 N ATOM 0 H LYS A 30 -11.590 -4.891 -1.124 1.00 0.00 H new ATOM 0 HA LYS A 30 -14.081 -4.333 0.390 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -13.340 -6.959 -0.739 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -13.507 -7.010 1.005 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -15.640 -5.414 -0.297 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -15.621 -7.081 -0.838 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -15.303 -7.545 1.813 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -16.098 -5.989 1.935 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -18.117 -6.901 1.382 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -17.455 -7.608 -0.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -18.257 -9.316 1.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -16.575 -9.451 1.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -17.216 -8.766 2.661 1.00 0.00 H new ATOM 454 N ARG A 31 -12.653 -4.363 2.465 1.00 0.00 N ATOM 455 CA ARG A 31 -11.725 -4.236 3.622 1.00 0.00 C ATOM 456 C ARG A 31 -10.935 -5.535 3.792 1.00 0.00 C ATOM 457 O ARG A 31 -11.497 -6.611 3.854 1.00 0.00 O ATOM 458 CB ARG A 31 -12.530 -3.959 4.894 1.00 0.00 C ATOM 459 CG ARG A 31 -11.576 -3.613 6.038 1.00 0.00 C ATOM 460 CD ARG A 31 -11.672 -4.686 7.125 1.00 0.00 C ATOM 461 NE ARG A 31 -13.047 -4.688 7.700 1.00 0.00 N ATOM 462 CZ ARG A 31 -13.526 -5.774 8.241 1.00 0.00 C ATOM 463 NH1 ARG A 31 -13.893 -6.773 7.486 1.00 0.00 N ATOM 464 NH2 ARG A 31 -13.638 -5.862 9.538 1.00 0.00 N ATOM 0 H ARG A 31 -13.590 -3.989 2.619 1.00 0.00 H new ATOM 0 HA ARG A 31 -11.034 -3.413 3.442 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -13.225 -3.137 4.725 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -13.127 -4.832 5.156 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -10.554 -3.548 5.666 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -11.827 -2.637 6.453 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -11.440 -5.665 6.706 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -10.939 -4.492 7.908 1.00 0.00 H new ATOM 0 HE ARG A 31 -13.613 -3.840 7.670 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -13.805 -6.705 6.472 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -14.267 -7.622 7.910 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -13.351 -5.082 10.129 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -14.013 -6.711 9.961 1.00 0.00 H new ATOM 478 N ASP A 32 -9.636 -5.444 3.869 1.00 0.00 N ATOM 479 CA ASP A 32 -8.811 -6.674 4.035 1.00 0.00 C ATOM 480 C ASP A 32 -8.793 -7.457 2.720 1.00 0.00 C ATOM 481 O ASP A 32 -9.119 -8.628 2.679 1.00 0.00 O ATOM 482 CB ASP A 32 -9.413 -7.546 5.140 1.00 0.00 C ATOM 483 CG ASP A 32 -8.356 -8.527 5.649 1.00 0.00 C ATOM 484 OD1 ASP A 32 -7.511 -8.107 6.424 1.00 0.00 O ATOM 485 OD2 ASP A 32 -8.407 -9.681 5.257 1.00 0.00 O ATOM 0 H ASP A 32 -9.110 -4.571 3.824 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.793 -6.395 4.306 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -9.768 -6.920 5.959 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.276 -8.091 4.758 1.00 0.00 H new ATOM 490 N GLU A 33 -8.415 -6.821 1.646 1.00 0.00 N ATOM 491 CA GLU A 33 -8.376 -7.530 0.336 1.00 0.00 C ATOM 492 C GLU A 33 -7.157 -7.062 -0.462 1.00 0.00 C ATOM 493 O GLU A 33 -7.008 -5.892 -0.756 1.00 0.00 O ATOM 494 CB GLU A 33 -9.650 -7.217 -0.452 1.00 0.00 C ATOM 495 CG GLU A 33 -9.877 -8.299 -1.509 1.00 0.00 C ATOM 496 CD GLU A 33 -10.942 -9.280 -1.016 1.00 0.00 C ATOM 497 OE1 GLU A 33 -12.081 -8.867 -0.874 1.00 0.00 O ATOM 498 OE2 GLU A 33 -10.601 -10.429 -0.788 1.00 0.00 O ATOM 0 H GLU A 33 -8.132 -5.842 1.619 1.00 0.00 H new ATOM 0 HA GLU A 33 -8.308 -8.604 0.507 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.505 -7.168 0.223 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.564 -6.241 -0.929 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -10.193 -7.844 -2.448 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.945 -8.828 -1.709 1.00 0.00 H new ATOM 505 N LEU A 34 -6.282 -7.966 -0.811 1.00 0.00 N ATOM 506 CA LEU A 34 -5.072 -7.576 -1.587 1.00 0.00 C ATOM 507 C LEU A 34 -5.464 -6.585 -2.684 1.00 0.00 C ATOM 508 O LEU A 34 -6.510 -6.699 -3.292 1.00 0.00 O ATOM 509 CB LEU A 34 -4.452 -8.823 -2.222 1.00 0.00 C ATOM 510 CG LEU A 34 -3.170 -8.435 -2.960 1.00 0.00 C ATOM 511 CD1 LEU A 34 -2.200 -7.769 -1.984 1.00 0.00 C ATOM 512 CD2 LEU A 34 -2.520 -9.692 -3.544 1.00 0.00 C ATOM 0 H LEU A 34 -6.354 -8.959 -0.591 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.348 -7.108 -0.920 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.232 -9.564 -1.454 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.158 -9.281 -2.914 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.410 -7.740 -3.764 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.286 -7.493 -2.511 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.662 -6.875 -1.565 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.959 -8.464 -1.179 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.606 -9.418 -4.071 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.280 -10.386 -2.738 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.210 -10.169 -4.240 1.00 0.00 H new ATOM 524 N ILE A 35 -4.632 -5.613 -2.943 1.00 0.00 N ATOM 525 CA ILE A 35 -4.959 -4.616 -4.001 1.00 0.00 C ATOM 526 C ILE A 35 -3.768 -4.473 -4.952 1.00 0.00 C ATOM 527 O ILE A 35 -3.928 -4.401 -6.155 1.00 0.00 O ATOM 528 CB ILE A 35 -5.259 -3.264 -3.353 1.00 0.00 C ATOM 529 CG1 ILE A 35 -6.246 -3.460 -2.201 1.00 0.00 C ATOM 530 CG2 ILE A 35 -5.871 -2.323 -4.392 1.00 0.00 C ATOM 531 CD1 ILE A 35 -7.584 -3.953 -2.753 1.00 0.00 C ATOM 0 H ILE A 35 -3.741 -5.467 -2.468 1.00 0.00 H new ATOM 0 HA ILE A 35 -5.832 -4.952 -4.560 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.334 -2.831 -2.972 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.848 -4.180 -1.486 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.386 -2.522 -1.664 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.085 -1.360 -3.929 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.169 -2.183 -5.214 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.796 -2.755 -4.774 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.287 -4.093 -1.932 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.983 -3.217 -3.451 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.437 -4.901 -3.270 1.00 0.00 H new ATOM 543 N VAL A 36 -2.576 -4.430 -4.423 1.00 0.00 N ATOM 544 CA VAL A 36 -1.378 -4.292 -5.299 1.00 0.00 C ATOM 545 C VAL A 36 -0.144 -4.814 -4.561 1.00 0.00 C ATOM 546 O VAL A 36 -0.015 -4.660 -3.362 1.00 0.00 O ATOM 547 CB VAL A 36 -1.176 -2.818 -5.656 1.00 0.00 C ATOM 548 CG1 VAL A 36 -0.731 -2.045 -4.414 1.00 0.00 C ATOM 549 CG2 VAL A 36 -0.102 -2.700 -6.739 1.00 0.00 C ATOM 0 H VAL A 36 -2.380 -4.484 -3.424 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.525 -4.870 -6.212 1.00 0.00 H new ATOM 0 HB VAL A 36 -2.114 -2.403 -6.024 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.588 -0.995 -4.671 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.494 -2.128 -3.641 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.207 -2.459 -4.044 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.043 -1.650 -6.995 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.835 -3.116 -6.369 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.418 -3.249 -7.626 1.00 0.00 H new ATOM 559 N ASP A 37 0.765 -5.429 -5.266 1.00 0.00 N ATOM 560 CA ASP A 37 1.989 -5.961 -4.603 1.00 0.00 C ATOM 561 C ASP A 37 3.167 -5.025 -4.880 1.00 0.00 C ATOM 562 O ASP A 37 3.226 -4.369 -5.901 1.00 0.00 O ATOM 563 CB ASP A 37 2.304 -7.353 -5.155 1.00 0.00 C ATOM 564 CG ASP A 37 1.550 -8.407 -4.341 1.00 0.00 C ATOM 565 OD1 ASP A 37 1.237 -8.130 -3.195 1.00 0.00 O ATOM 566 OD2 ASP A 37 1.299 -9.473 -4.879 1.00 0.00 O ATOM 0 H ASP A 37 0.713 -5.586 -6.272 1.00 0.00 H new ATOM 0 HA ASP A 37 1.821 -6.025 -3.528 1.00 0.00 H new ATOM 0 HB2 ASP A 37 2.016 -7.414 -6.204 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.377 -7.540 -5.108 1.00 0.00 H new ATOM 571 N ILE A 38 4.107 -4.956 -3.977 1.00 0.00 N ATOM 572 CA ILE A 38 5.280 -4.063 -4.189 1.00 0.00 C ATOM 573 C ILE A 38 6.531 -4.912 -4.426 1.00 0.00 C ATOM 574 O ILE A 38 6.644 -6.018 -3.937 1.00 0.00 O ATOM 575 CB ILE A 38 5.485 -3.188 -2.950 1.00 0.00 C ATOM 576 CG1 ILE A 38 4.160 -2.519 -2.574 1.00 0.00 C ATOM 577 CG2 ILE A 38 6.530 -2.112 -3.252 1.00 0.00 C ATOM 578 CD1 ILE A 38 4.213 -2.065 -1.115 1.00 0.00 C ATOM 0 H ILE A 38 4.113 -5.480 -3.102 1.00 0.00 H new ATOM 0 HA ILE A 38 5.102 -3.428 -5.057 1.00 0.00 H new ATOM 0 HB ILE A 38 5.829 -3.807 -2.121 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.974 -1.665 -3.225 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.335 -3.216 -2.719 1.00 0.00 H new ATOM 0 HG21 ILE A 38 6.676 -1.489 -2.370 1.00 0.00 H new ATOM 0 HG22 ILE A 38 7.474 -2.587 -3.521 1.00 0.00 H new ATOM 0 HG23 ILE A 38 6.186 -1.493 -4.081 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.270 -1.589 -0.848 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.379 -2.929 -0.471 1.00 0.00 H new ATOM 0 HD13 ILE A 38 5.028 -1.353 -0.985 1.00 0.00 H new ATOM 590 N GLU A 39 7.472 -4.403 -5.173 1.00 0.00 N ATOM 591 CA GLU A 39 8.714 -5.182 -5.440 1.00 0.00 C ATOM 592 C GLU A 39 9.918 -4.239 -5.438 1.00 0.00 C ATOM 593 O GLU A 39 10.200 -3.573 -6.414 1.00 0.00 O ATOM 594 CB GLU A 39 8.603 -5.865 -6.805 1.00 0.00 C ATOM 595 CG GLU A 39 8.943 -7.349 -6.663 1.00 0.00 C ATOM 596 CD GLU A 39 9.155 -7.961 -8.049 1.00 0.00 C ATOM 597 OE1 GLU A 39 8.186 -8.434 -8.621 1.00 0.00 O ATOM 598 OE2 GLU A 39 10.281 -7.946 -8.516 1.00 0.00 O ATOM 0 H GLU A 39 7.435 -3.482 -5.610 1.00 0.00 H new ATOM 0 HA GLU A 39 8.843 -5.937 -4.665 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.594 -5.749 -7.201 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.281 -5.392 -7.516 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.842 -7.470 -6.059 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.138 -7.869 -6.144 1.00 0.00 H new ATOM 605 N THR A 40 10.632 -4.176 -4.347 1.00 0.00 N ATOM 606 CA THR A 40 11.817 -3.276 -4.283 1.00 0.00 C ATOM 607 C THR A 40 13.061 -4.037 -4.743 1.00 0.00 C ATOM 608 O THR A 40 12.981 -5.165 -5.188 1.00 0.00 O ATOM 609 CB THR A 40 12.016 -2.797 -2.843 1.00 0.00 C ATOM 610 OG1 THR A 40 10.755 -2.712 -2.194 1.00 0.00 O ATOM 611 CG2 THR A 40 12.683 -1.420 -2.849 1.00 0.00 C ATOM 0 H THR A 40 10.445 -4.709 -3.498 1.00 0.00 H new ATOM 0 HA THR A 40 11.656 -2.416 -4.933 1.00 0.00 H new ATOM 0 HB THR A 40 12.652 -3.504 -2.310 1.00 0.00 H new ATOM 0 HG1 THR A 40 10.497 -3.598 -1.864 1.00 0.00 H new ATOM 0 HG21 THR A 40 12.824 -1.080 -1.823 1.00 0.00 H new ATOM 0 HG22 THR A 40 13.651 -1.487 -3.346 1.00 0.00 H new ATOM 0 HG23 THR A 40 12.050 -0.711 -3.382 1.00 0.00 H new ATOM 619 N ASP A 41 14.212 -3.428 -4.642 1.00 0.00 N ATOM 620 CA ASP A 41 15.461 -4.112 -5.075 1.00 0.00 C ATOM 621 C ASP A 41 15.445 -5.564 -4.595 1.00 0.00 C ATOM 622 O ASP A 41 15.765 -6.476 -5.332 1.00 0.00 O ATOM 623 CB ASP A 41 16.670 -3.390 -4.477 1.00 0.00 C ATOM 624 CG ASP A 41 17.748 -3.222 -5.549 1.00 0.00 C ATOM 625 OD1 ASP A 41 17.446 -2.639 -6.578 1.00 0.00 O ATOM 626 OD2 ASP A 41 18.856 -3.681 -5.325 1.00 0.00 O ATOM 0 H ASP A 41 14.340 -2.484 -4.277 1.00 0.00 H new ATOM 0 HA ASP A 41 15.526 -4.092 -6.163 1.00 0.00 H new ATOM 0 HB2 ASP A 41 16.371 -2.415 -4.092 1.00 0.00 H new ATOM 0 HB3 ASP A 41 17.066 -3.958 -3.635 1.00 0.00 H new ATOM 631 N LYS A 42 15.075 -5.788 -3.363 1.00 0.00 N ATOM 632 CA LYS A 42 15.038 -7.182 -2.838 1.00 0.00 C ATOM 633 C LYS A 42 14.061 -7.258 -1.663 1.00 0.00 C ATOM 634 O LYS A 42 14.197 -8.086 -0.784 1.00 0.00 O ATOM 635 CB LYS A 42 16.437 -7.585 -2.365 1.00 0.00 C ATOM 636 CG LYS A 42 17.221 -8.179 -3.537 1.00 0.00 C ATOM 637 CD LYS A 42 18.465 -7.329 -3.802 1.00 0.00 C ATOM 638 CE LYS A 42 19.689 -8.007 -3.184 1.00 0.00 C ATOM 639 NZ LYS A 42 20.267 -7.123 -2.133 1.00 0.00 N ATOM 0 H LYS A 42 14.797 -5.066 -2.698 1.00 0.00 H new ATOM 0 HA LYS A 42 14.711 -7.860 -3.627 1.00 0.00 H new ATOM 0 HB2 LYS A 42 16.961 -6.717 -1.966 1.00 0.00 H new ATOM 0 HB3 LYS A 42 16.364 -8.313 -1.557 1.00 0.00 H new ATOM 0 HG2 LYS A 42 17.510 -9.206 -3.312 1.00 0.00 H new ATOM 0 HG3 LYS A 42 16.594 -8.213 -4.428 1.00 0.00 H new ATOM 0 HD2 LYS A 42 18.610 -7.202 -4.875 1.00 0.00 H new ATOM 0 HD3 LYS A 42 18.335 -6.333 -3.378 1.00 0.00 H new ATOM 0 HE2 LYS A 42 19.407 -8.967 -2.752 1.00 0.00 H new ATOM 0 HE3 LYS A 42 20.433 -8.210 -3.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 21.099 -7.583 -1.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 20.550 -6.217 -2.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 19.556 -6.951 -1.394 1.00 0.00 H new ATOM 653 N VAL A 43 13.077 -6.402 -1.642 1.00 0.00 N ATOM 654 CA VAL A 43 12.092 -6.427 -0.523 1.00 0.00 C ATOM 655 C VAL A 43 10.673 -6.474 -1.095 1.00 0.00 C ATOM 656 O VAL A 43 10.169 -5.496 -1.612 1.00 0.00 O ATOM 657 CB VAL A 43 12.257 -5.168 0.329 1.00 0.00 C ATOM 658 CG1 VAL A 43 11.566 -5.371 1.679 1.00 0.00 C ATOM 659 CG2 VAL A 43 13.747 -4.899 0.556 1.00 0.00 C ATOM 0 H VAL A 43 12.912 -5.687 -2.350 1.00 0.00 H new ATOM 0 HA VAL A 43 12.265 -7.308 0.095 1.00 0.00 H new ATOM 0 HB VAL A 43 11.807 -4.319 -0.186 1.00 0.00 H new ATOM 0 HG11 VAL A 43 11.684 -4.474 2.286 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.505 -5.565 1.519 1.00 0.00 H new ATOM 0 HG13 VAL A 43 12.016 -6.219 2.194 1.00 0.00 H new ATOM 0 HG21 VAL A 43 13.866 -4.002 1.163 1.00 0.00 H new ATOM 0 HG22 VAL A 43 14.196 -5.748 1.071 1.00 0.00 H new ATOM 0 HG23 VAL A 43 14.241 -4.755 -0.405 1.00 0.00 H new ATOM 669 N VAL A 44 10.025 -7.602 -1.007 1.00 0.00 N ATOM 670 CA VAL A 44 8.639 -7.710 -1.545 1.00 0.00 C ATOM 671 C VAL A 44 7.636 -7.351 -0.447 1.00 0.00 C ATOM 672 O VAL A 44 7.705 -7.850 0.659 1.00 0.00 O ATOM 673 CB VAL A 44 8.386 -9.143 -2.016 1.00 0.00 C ATOM 674 CG1 VAL A 44 6.942 -9.273 -2.504 1.00 0.00 C ATOM 675 CG2 VAL A 44 9.342 -9.477 -3.164 1.00 0.00 C ATOM 0 H VAL A 44 10.395 -8.454 -0.586 1.00 0.00 H new ATOM 0 HA VAL A 44 8.521 -7.024 -2.384 1.00 0.00 H new ATOM 0 HB VAL A 44 8.554 -9.832 -1.188 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.762 -10.294 -2.840 1.00 0.00 H new ATOM 0 HG12 VAL A 44 6.259 -9.033 -1.689 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.774 -8.584 -3.332 1.00 0.00 H new ATOM 0 HG21 VAL A 44 9.163 -10.498 -3.501 1.00 0.00 H new ATOM 0 HG22 VAL A 44 9.173 -8.787 -3.991 1.00 0.00 H new ATOM 0 HG23 VAL A 44 10.372 -9.384 -2.819 1.00 0.00 H new ATOM 685 N MET A 45 6.704 -6.485 -0.741 1.00 0.00 N ATOM 686 CA MET A 45 5.698 -6.095 0.286 1.00 0.00 C ATOM 687 C MET A 45 4.330 -5.927 -0.378 1.00 0.00 C ATOM 688 O MET A 45 4.095 -4.987 -1.109 1.00 0.00 O ATOM 689 CB MET A 45 6.117 -4.773 0.932 1.00 0.00 C ATOM 690 CG MET A 45 7.119 -5.047 2.055 1.00 0.00 C ATOM 691 SD MET A 45 6.330 -6.058 3.333 1.00 0.00 S ATOM 692 CE MET A 45 7.847 -6.698 4.083 1.00 0.00 C ATOM 0 H MET A 45 6.596 -6.031 -1.648 1.00 0.00 H new ATOM 0 HA MET A 45 5.638 -6.870 1.050 1.00 0.00 H new ATOM 0 HB2 MET A 45 6.563 -4.117 0.185 1.00 0.00 H new ATOM 0 HB3 MET A 45 5.243 -4.257 1.329 1.00 0.00 H new ATOM 0 HG2 MET A 45 7.995 -5.561 1.658 1.00 0.00 H new ATOM 0 HG3 MET A 45 7.468 -4.107 2.483 1.00 0.00 H new ATOM 0 HE1 MET A 45 7.592 -7.359 4.911 1.00 0.00 H new ATOM 0 HE2 MET A 45 8.416 -7.253 3.337 1.00 0.00 H new ATOM 0 HE3 MET A 45 8.448 -5.868 4.453 1.00 0.00 H new ATOM 702 N GLU A 46 3.425 -6.834 -0.128 1.00 0.00 N ATOM 703 CA GLU A 46 2.072 -6.726 -0.745 1.00 0.00 C ATOM 704 C GLU A 46 1.385 -5.453 -0.247 1.00 0.00 C ATOM 705 O GLU A 46 1.873 -4.778 0.638 1.00 0.00 O ATOM 706 CB GLU A 46 1.234 -7.944 -0.354 1.00 0.00 C ATOM 707 CG GLU A 46 2.117 -9.193 -0.353 1.00 0.00 C ATOM 708 CD GLU A 46 1.236 -10.442 -0.418 1.00 0.00 C ATOM 709 OE1 GLU A 46 0.227 -10.396 -1.101 1.00 0.00 O ATOM 710 OE2 GLU A 46 1.587 -11.424 0.217 1.00 0.00 O ATOM 0 H GLU A 46 3.564 -7.644 0.476 1.00 0.00 H new ATOM 0 HA GLU A 46 2.170 -6.686 -1.830 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.795 -7.795 0.633 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.408 -8.070 -1.054 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.798 -9.171 -1.204 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.732 -9.216 0.547 1.00 0.00 H new ATOM 717 N VAL A 47 0.255 -5.119 -0.808 1.00 0.00 N ATOM 718 CA VAL A 47 -0.462 -3.891 -0.365 1.00 0.00 C ATOM 719 C VAL A 47 -1.951 -4.199 -0.205 1.00 0.00 C ATOM 720 O VAL A 47 -2.686 -4.279 -1.170 1.00 0.00 O ATOM 721 CB VAL A 47 -0.279 -2.789 -1.410 1.00 0.00 C ATOM 722 CG1 VAL A 47 -0.790 -1.461 -0.849 1.00 0.00 C ATOM 723 CG2 VAL A 47 1.206 -2.657 -1.757 1.00 0.00 C ATOM 0 H VAL A 47 -0.202 -5.644 -1.554 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.056 -3.558 0.590 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.842 -3.044 -2.308 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.659 -0.677 -1.594 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.847 -1.553 -0.601 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.228 -1.205 0.049 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.337 -1.872 -2.502 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.768 -2.403 -0.859 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.571 -3.602 -2.158 1.00 0.00 H new ATOM 733 N LEU A 48 -2.404 -4.374 1.007 1.00 0.00 N ATOM 734 CA LEU A 48 -3.846 -4.678 1.228 1.00 0.00 C ATOM 735 C LEU A 48 -4.603 -3.380 1.513 1.00 0.00 C ATOM 736 O LEU A 48 -4.038 -2.409 1.976 1.00 0.00 O ATOM 737 CB LEU A 48 -3.990 -5.626 2.420 1.00 0.00 C ATOM 738 CG LEU A 48 -4.553 -6.965 1.943 1.00 0.00 C ATOM 739 CD1 LEU A 48 -3.461 -8.034 2.014 1.00 0.00 C ATOM 740 CD2 LEU A 48 -5.724 -7.373 2.841 1.00 0.00 C ATOM 0 H LEU A 48 -1.837 -4.319 1.853 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.259 -5.150 0.337 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.022 -5.776 2.898 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.650 -5.188 3.169 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.899 -6.868 0.914 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.863 -8.988 1.674 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.626 -7.744 1.376 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.115 -8.132 3.043 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.127 -8.328 2.502 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.377 -7.470 3.870 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.503 -6.612 2.791 1.00 0.00 H new ATOM 752 N ALA A 49 -5.878 -3.354 1.240 1.00 0.00 N ATOM 753 CA ALA A 49 -6.670 -2.118 1.496 1.00 0.00 C ATOM 754 C ALA A 49 -7.131 -2.099 2.955 1.00 0.00 C ATOM 755 O ALA A 49 -7.462 -3.120 3.523 1.00 0.00 O ATOM 756 CB ALA A 49 -7.891 -2.094 0.574 1.00 0.00 C ATOM 0 H ALA A 49 -6.406 -4.135 0.851 1.00 0.00 H new ATOM 0 HA ALA A 49 -6.050 -1.243 1.300 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.471 -1.190 0.761 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.562 -2.106 -0.465 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -8.511 -2.969 0.768 1.00 0.00 H new ATOM 762 N GLU A 50 -7.155 -0.946 3.564 1.00 0.00 N ATOM 763 CA GLU A 50 -7.595 -0.863 4.986 1.00 0.00 C ATOM 764 C GLU A 50 -9.055 -0.406 5.042 1.00 0.00 C ATOM 765 O GLU A 50 -9.557 -0.028 6.081 1.00 0.00 O ATOM 766 CB GLU A 50 -6.717 0.141 5.735 1.00 0.00 C ATOM 767 CG GLU A 50 -5.947 -0.580 6.843 1.00 0.00 C ATOM 768 CD GLU A 50 -6.872 -0.814 8.038 1.00 0.00 C ATOM 769 OE1 GLU A 50 -7.981 -0.307 8.012 1.00 0.00 O ATOM 770 OE2 GLU A 50 -6.456 -1.496 8.960 1.00 0.00 O ATOM 0 H GLU A 50 -6.889 -0.058 3.139 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.503 -1.844 5.452 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.021 0.617 5.045 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -7.334 0.932 6.162 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.564 -1.532 6.474 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.085 0.014 7.147 1.00 0.00 H new ATOM 777 N ALA A 51 -9.739 -0.440 3.931 1.00 0.00 N ATOM 778 CA ALA A 51 -11.165 -0.007 3.921 1.00 0.00 C ATOM 779 C ALA A 51 -11.731 -0.151 2.508 1.00 0.00 C ATOM 780 O ALA A 51 -11.066 0.130 1.531 1.00 0.00 O ATOM 781 CB ALA A 51 -11.257 1.456 4.362 1.00 0.00 C ATOM 0 H ALA A 51 -9.372 -0.749 3.031 1.00 0.00 H new ATOM 0 HA ALA A 51 -11.739 -0.630 4.607 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -12.300 1.773 4.355 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -10.853 1.558 5.369 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -10.683 2.079 3.676 1.00 0.00 H new ATOM 787 N ASP A 52 -12.956 -0.585 2.391 1.00 0.00 N ATOM 788 CA ASP A 52 -13.565 -0.747 1.041 1.00 0.00 C ATOM 789 C ASP A 52 -13.577 0.607 0.325 1.00 0.00 C ATOM 790 O ASP A 52 -13.290 1.635 0.906 1.00 0.00 O ATOM 791 CB ASP A 52 -14.994 -1.299 1.192 1.00 0.00 C ATOM 792 CG ASP A 52 -15.901 -0.813 0.054 1.00 0.00 C ATOM 793 OD1 ASP A 52 -16.250 0.356 0.059 1.00 0.00 O ATOM 794 OD2 ASP A 52 -16.228 -1.618 -0.801 1.00 0.00 O ATOM 0 H ASP A 52 -13.562 -0.835 3.173 1.00 0.00 H new ATOM 0 HA ASP A 52 -12.981 -1.449 0.446 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -14.967 -2.389 1.198 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -15.408 -0.985 2.150 1.00 0.00 H new ATOM 799 N GLY A 53 -13.909 0.606 -0.934 1.00 0.00 N ATOM 800 CA GLY A 53 -13.945 1.884 -1.700 1.00 0.00 C ATOM 801 C GLY A 53 -13.723 1.595 -3.185 1.00 0.00 C ATOM 802 O GLY A 53 -13.477 0.472 -3.579 1.00 0.00 O ATOM 0 H GLY A 53 -14.158 -0.226 -1.468 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -14.904 2.380 -1.555 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -13.176 2.563 -1.332 1.00 0.00 H new ATOM 806 N VAL A 54 -13.807 2.599 -4.014 1.00 0.00 N ATOM 807 CA VAL A 54 -13.600 2.380 -5.474 1.00 0.00 C ATOM 808 C VAL A 54 -12.317 3.084 -5.919 1.00 0.00 C ATOM 809 O VAL A 54 -12.144 4.269 -5.716 1.00 0.00 O ATOM 810 CB VAL A 54 -14.789 2.951 -6.249 1.00 0.00 C ATOM 811 CG1 VAL A 54 -14.455 2.989 -7.741 1.00 0.00 C ATOM 812 CG2 VAL A 54 -16.015 2.061 -6.024 1.00 0.00 C ATOM 0 H VAL A 54 -14.010 3.561 -3.744 1.00 0.00 H new ATOM 0 HA VAL A 54 -13.516 1.311 -5.672 1.00 0.00 H new ATOM 0 HB VAL A 54 -15.001 3.961 -5.899 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -15.302 3.396 -8.293 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -13.580 3.619 -7.902 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -14.244 1.979 -8.092 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -16.864 2.465 -6.575 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -15.801 1.052 -6.376 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -16.253 2.032 -4.961 1.00 0.00 H new ATOM 822 N ILE A 55 -11.414 2.363 -6.524 1.00 0.00 N ATOM 823 CA ILE A 55 -10.142 2.989 -6.981 1.00 0.00 C ATOM 824 C ILE A 55 -10.451 4.085 -8.005 1.00 0.00 C ATOM 825 O ILE A 55 -11.541 4.161 -8.536 1.00 0.00 O ATOM 826 CB ILE A 55 -9.256 1.924 -7.627 1.00 0.00 C ATOM 827 CG1 ILE A 55 -9.058 0.766 -6.646 1.00 0.00 C ATOM 828 CG2 ILE A 55 -7.898 2.534 -7.983 1.00 0.00 C ATOM 829 CD1 ILE A 55 -8.101 1.192 -5.531 1.00 0.00 C ATOM 0 H ILE A 55 -11.502 1.366 -6.722 1.00 0.00 H new ATOM 0 HA ILE A 55 -9.624 3.426 -6.127 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.733 1.554 -8.535 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -10.017 0.469 -6.221 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.658 -0.102 -7.170 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -7.267 1.774 -8.444 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -8.041 3.358 -8.681 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -7.417 2.905 -7.078 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -7.963 0.365 -4.835 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.139 1.468 -5.963 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -8.519 2.047 -5.000 1.00 0.00 H new ATOM 841 N ALA A 56 -9.501 4.934 -8.283 1.00 0.00 N ATOM 842 CA ALA A 56 -9.740 6.024 -9.272 1.00 0.00 C ATOM 843 C ALA A 56 -9.001 5.704 -10.571 1.00 0.00 C ATOM 844 O ALA A 56 -9.603 5.511 -11.609 1.00 0.00 O ATOM 845 CB ALA A 56 -9.227 7.348 -8.705 1.00 0.00 C ATOM 0 H ALA A 56 -8.569 4.921 -7.868 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.808 6.105 -9.473 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -9.401 8.145 -9.428 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.755 7.576 -7.779 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -8.159 7.268 -8.504 1.00 0.00 H new ATOM 851 N GLU A 57 -7.698 5.645 -10.525 1.00 0.00 N ATOM 852 CA GLU A 57 -6.921 5.339 -11.759 1.00 0.00 C ATOM 853 C GLU A 57 -5.455 5.094 -11.393 1.00 0.00 C ATOM 854 O GLU A 57 -4.876 5.812 -10.603 1.00 0.00 O ATOM 855 CB GLU A 57 -7.014 6.521 -12.728 1.00 0.00 C ATOM 856 CG GLU A 57 -6.446 7.774 -12.060 1.00 0.00 C ATOM 857 CD GLU A 57 -5.336 8.361 -12.934 1.00 0.00 C ATOM 858 OE1 GLU A 57 -4.247 7.811 -12.924 1.00 0.00 O ATOM 859 OE2 GLU A 57 -5.594 9.350 -13.599 1.00 0.00 O ATOM 0 H GLU A 57 -7.138 5.796 -9.686 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.331 4.447 -12.233 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.461 6.301 -13.641 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -8.052 6.688 -13.016 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.236 8.511 -11.914 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.054 7.527 -11.073 1.00 0.00 H new ATOM 866 N ILE A 58 -4.853 4.086 -11.961 1.00 0.00 N ATOM 867 CA ILE A 58 -3.425 3.799 -11.645 1.00 0.00 C ATOM 868 C ILE A 58 -2.525 4.559 -12.620 1.00 0.00 C ATOM 869 O ILE A 58 -2.821 4.674 -13.793 1.00 0.00 O ATOM 870 CB ILE A 58 -3.168 2.296 -11.776 1.00 0.00 C ATOM 871 CG1 ILE A 58 -4.134 1.532 -10.868 1.00 0.00 C ATOM 872 CG2 ILE A 58 -1.729 1.987 -11.362 1.00 0.00 C ATOM 873 CD1 ILE A 58 -4.115 2.150 -9.469 1.00 0.00 C ATOM 0 H ILE A 58 -5.287 3.449 -12.629 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.205 4.118 -10.626 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.323 1.990 -12.811 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.143 1.568 -11.280 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.848 0.481 -10.817 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.545 0.917 -11.455 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.040 2.531 -12.008 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.574 2.293 -10.327 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.803 1.606 -8.822 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.107 2.091 -9.059 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.422 3.194 -9.528 1.00 0.00 H new ATOM 885 N VAL A 59 -1.426 5.079 -12.145 1.00 0.00 N ATOM 886 CA VAL A 59 -0.509 5.833 -13.046 1.00 0.00 C ATOM 887 C VAL A 59 0.516 4.873 -13.653 1.00 0.00 C ATOM 888 O VAL A 59 0.571 4.685 -14.851 1.00 0.00 O ATOM 889 CB VAL A 59 0.217 6.914 -12.244 1.00 0.00 C ATOM 890 CG1 VAL A 59 1.199 7.654 -13.155 1.00 0.00 C ATOM 891 CG2 VAL A 59 -0.804 7.908 -11.687 1.00 0.00 C ATOM 0 H VAL A 59 -1.124 5.014 -11.173 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.087 6.298 -13.845 1.00 0.00 H new ATOM 0 HB VAL A 59 0.762 6.450 -11.422 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.716 8.424 -12.583 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.927 6.948 -13.554 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.654 8.117 -13.977 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.287 8.679 -11.115 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.348 8.371 -12.510 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.505 7.384 -11.038 1.00 0.00 H new ATOM 901 N LYS A 60 1.329 4.264 -12.834 1.00 0.00 N ATOM 902 CA LYS A 60 2.351 3.318 -13.365 1.00 0.00 C ATOM 903 C LYS A 60 1.759 1.908 -13.422 1.00 0.00 C ATOM 904 O LYS A 60 0.844 1.577 -12.693 1.00 0.00 O ATOM 905 CB LYS A 60 3.575 3.321 -12.447 1.00 0.00 C ATOM 906 CG LYS A 60 4.790 3.841 -13.218 1.00 0.00 C ATOM 907 CD LYS A 60 4.545 5.292 -13.639 1.00 0.00 C ATOM 908 CE LYS A 60 4.687 6.207 -12.421 1.00 0.00 C ATOM 909 NZ LYS A 60 5.547 7.373 -12.774 1.00 0.00 N ATOM 0 H LYS A 60 1.330 4.380 -11.821 1.00 0.00 H new ATOM 0 HA LYS A 60 2.648 3.628 -14.367 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.388 3.949 -11.576 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.769 2.314 -12.078 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.683 3.777 -12.596 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.969 3.221 -14.097 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.257 5.583 -14.411 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.549 5.394 -14.070 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.706 6.551 -12.094 1.00 0.00 H new ATOM 0 HE3 LYS A 60 5.125 5.657 -11.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 5.455 8.106 -12.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 6.539 7.067 -12.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 5.247 7.760 -13.692 1.00 0.00 H new ATOM 923 N ASN A 61 2.276 1.073 -14.281 1.00 0.00 N ATOM 924 CA ASN A 61 1.743 -0.316 -14.384 1.00 0.00 C ATOM 925 C ASN A 61 2.694 -1.280 -13.673 1.00 0.00 C ATOM 926 O ASN A 61 3.857 -0.988 -13.475 1.00 0.00 O ATOM 927 CB ASN A 61 1.626 -0.709 -15.858 1.00 0.00 C ATOM 928 CG ASN A 61 0.781 0.330 -16.598 1.00 0.00 C ATOM 929 OD1 ASN A 61 -0.180 0.945 -15.963 1.00 0.00 O flip ATOM 930 ND2 ASN A 61 0.997 0.585 -17.766 1.00 0.00 N flip ATOM 0 H ASN A 61 3.044 1.292 -14.916 1.00 0.00 H new ATOM 0 HA ASN A 61 0.760 -0.364 -13.916 1.00 0.00 H new ATOM 0 HB2 ASN A 61 2.617 -0.774 -16.308 1.00 0.00 H new ATOM 0 HB3 ASN A 61 1.170 -1.695 -15.947 1.00 0.00 H new ATOM 0 HD21 ASN A 61 1.748 0.105 -18.262 1.00 0.00 H new ATOM 0 HD22 ASN A 61 0.428 1.279 -18.250 1.00 0.00 H new ATOM 937 N GLU A 62 2.210 -2.428 -13.286 1.00 0.00 N ATOM 938 CA GLU A 62 3.086 -3.410 -12.587 1.00 0.00 C ATOM 939 C GLU A 62 4.243 -3.806 -13.507 1.00 0.00 C ATOM 940 O GLU A 62 4.082 -3.929 -14.705 1.00 0.00 O ATOM 941 CB GLU A 62 2.273 -4.654 -12.226 1.00 0.00 C ATOM 942 CG GLU A 62 1.547 -5.169 -13.470 1.00 0.00 C ATOM 943 CD GLU A 62 2.361 -6.298 -14.104 1.00 0.00 C ATOM 944 OE1 GLU A 62 3.080 -6.964 -13.379 1.00 0.00 O ATOM 945 OE2 GLU A 62 2.252 -6.476 -15.307 1.00 0.00 O ATOM 0 H GLU A 62 1.245 -2.729 -13.424 1.00 0.00 H new ATOM 0 HA GLU A 62 3.482 -2.959 -11.677 1.00 0.00 H new ATOM 0 HB2 GLU A 62 2.930 -5.428 -11.829 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.552 -4.416 -11.444 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.554 -5.529 -13.202 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.410 -4.359 -14.186 1.00 0.00 H new ATOM 952 N GLY A 63 5.409 -4.007 -12.955 1.00 0.00 N ATOM 953 CA GLY A 63 6.575 -4.396 -13.799 1.00 0.00 C ATOM 954 C GLY A 63 7.422 -3.159 -14.100 1.00 0.00 C ATOM 955 O GLY A 63 8.519 -3.257 -14.613 1.00 0.00 O ATOM 0 H GLY A 63 5.604 -3.919 -11.958 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.176 -5.145 -13.284 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.230 -4.848 -14.729 1.00 0.00 H new ATOM 959 N ASP A 64 6.924 -1.996 -13.786 1.00 0.00 N ATOM 960 CA ASP A 64 7.703 -0.754 -14.056 1.00 0.00 C ATOM 961 C ASP A 64 8.373 -0.286 -12.761 1.00 0.00 C ATOM 962 O ASP A 64 8.110 -0.794 -11.689 1.00 0.00 O ATOM 963 CB ASP A 64 6.755 0.328 -14.604 1.00 0.00 C ATOM 964 CG ASP A 64 7.233 1.733 -14.212 1.00 0.00 C ATOM 965 OD1 ASP A 64 6.911 2.163 -13.117 1.00 0.00 O ATOM 966 OD2 ASP A 64 7.909 2.352 -15.017 1.00 0.00 O ATOM 0 H ASP A 64 6.011 -1.851 -13.354 1.00 0.00 H new ATOM 0 HA ASP A 64 8.478 -0.948 -14.798 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.698 0.250 -15.690 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.749 0.163 -14.219 1.00 0.00 H new ATOM 971 N THR A 65 9.238 0.682 -12.861 1.00 0.00 N ATOM 972 CA THR A 65 9.933 1.195 -11.647 1.00 0.00 C ATOM 973 C THR A 65 9.281 2.504 -11.201 1.00 0.00 C ATOM 974 O THR A 65 8.809 3.280 -12.007 1.00 0.00 O ATOM 975 CB THR A 65 11.409 1.444 -11.972 1.00 0.00 C ATOM 976 OG1 THR A 65 11.983 0.256 -12.498 1.00 0.00 O ATOM 977 CG2 THR A 65 12.151 1.852 -10.698 1.00 0.00 C ATOM 0 H THR A 65 9.495 1.143 -13.734 1.00 0.00 H new ATOM 0 HA THR A 65 9.856 0.460 -10.846 1.00 0.00 H new ATOM 0 HB THR A 65 11.490 2.243 -12.709 1.00 0.00 H new ATOM 0 HG1 THR A 65 12.927 0.414 -12.708 1.00 0.00 H new ATOM 0 HG21 THR A 65 13.201 2.029 -10.930 1.00 0.00 H new ATOM 0 HG22 THR A 65 11.709 2.764 -10.296 1.00 0.00 H new ATOM 0 HG23 THR A 65 12.072 1.054 -9.960 1.00 0.00 H new ATOM 985 N VAL A 66 9.250 2.756 -9.921 1.00 0.00 N ATOM 986 CA VAL A 66 8.628 4.016 -9.424 1.00 0.00 C ATOM 987 C VAL A 66 9.563 4.683 -8.414 1.00 0.00 C ATOM 988 O VAL A 66 10.446 4.056 -7.863 1.00 0.00 O ATOM 989 CB VAL A 66 7.293 3.694 -8.750 1.00 0.00 C ATOM 990 CG1 VAL A 66 6.220 3.475 -9.818 1.00 0.00 C ATOM 991 CG2 VAL A 66 7.441 2.423 -7.909 1.00 0.00 C ATOM 0 H VAL A 66 9.628 2.144 -9.198 1.00 0.00 H new ATOM 0 HA VAL A 66 8.458 4.692 -10.262 1.00 0.00 H new ATOM 0 HB VAL A 66 7.001 4.525 -8.108 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.269 3.246 -9.337 1.00 0.00 H new ATOM 0 HG12 VAL A 66 6.114 4.379 -10.418 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.511 2.644 -10.461 1.00 0.00 H new ATOM 0 HG21 VAL A 66 6.490 2.192 -7.428 1.00 0.00 H new ATOM 0 HG22 VAL A 66 7.733 1.593 -8.552 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.205 2.578 -7.147 1.00 0.00 H new ATOM 1001 N LEU A 67 9.376 5.950 -8.165 1.00 0.00 N ATOM 1002 CA LEU A 67 10.254 6.656 -7.190 1.00 0.00 C ATOM 1003 C LEU A 67 9.641 6.563 -5.791 1.00 0.00 C ATOM 1004 O LEU A 67 8.436 6.580 -5.629 1.00 0.00 O ATOM 1005 CB LEU A 67 10.386 8.126 -7.593 1.00 0.00 C ATOM 1006 CG LEU A 67 11.249 8.235 -8.850 1.00 0.00 C ATOM 1007 CD1 LEU A 67 10.866 9.497 -9.625 1.00 0.00 C ATOM 1008 CD2 LEU A 67 12.725 8.313 -8.450 1.00 0.00 C ATOM 0 H LEU A 67 8.653 6.527 -8.595 1.00 0.00 H new ATOM 0 HA LEU A 67 11.240 6.191 -7.186 1.00 0.00 H new ATOM 0 HB2 LEU A 67 9.400 8.553 -7.778 1.00 0.00 H new ATOM 0 HB3 LEU A 67 10.834 8.698 -6.781 1.00 0.00 H new ATOM 0 HG LEU A 67 11.087 7.359 -9.478 1.00 0.00 H new ATOM 0 HD11 LEU A 67 11.482 9.574 -10.521 1.00 0.00 H new ATOM 0 HD12 LEU A 67 9.815 9.444 -9.910 1.00 0.00 H new ATOM 0 HD13 LEU A 67 11.028 10.373 -8.997 1.00 0.00 H new ATOM 0 HD21 LEU A 67 13.341 8.391 -9.346 1.00 0.00 H new ATOM 0 HD22 LEU A 67 12.886 9.189 -7.822 1.00 0.00 H new ATOM 0 HD23 LEU A 67 13.000 7.415 -7.897 1.00 0.00 H new ATOM 1020 N SER A 68 10.460 6.465 -4.779 1.00 0.00 N ATOM 1021 CA SER A 68 9.922 6.371 -3.393 1.00 0.00 C ATOM 1022 C SER A 68 8.887 7.477 -3.170 1.00 0.00 C ATOM 1023 O SER A 68 9.208 8.649 -3.174 1.00 0.00 O ATOM 1024 CB SER A 68 11.065 6.535 -2.392 1.00 0.00 C ATOM 1025 OG SER A 68 10.550 7.044 -1.169 1.00 0.00 O ATOM 0 H SER A 68 11.477 6.446 -4.853 1.00 0.00 H new ATOM 0 HA SER A 68 9.450 5.399 -3.252 1.00 0.00 H new ATOM 0 HB2 SER A 68 11.555 5.576 -2.222 1.00 0.00 H new ATOM 0 HB3 SER A 68 11.819 7.212 -2.792 1.00 0.00 H new ATOM 0 HG SER A 68 11.281 7.149 -0.525 1.00 0.00 H new ATOM 1031 N GLY A 69 7.649 7.113 -2.976 1.00 0.00 N ATOM 1032 CA GLY A 69 6.596 8.144 -2.753 1.00 0.00 C ATOM 1033 C GLY A 69 5.918 8.478 -4.084 1.00 0.00 C ATOM 1034 O GLY A 69 5.336 9.532 -4.247 1.00 0.00 O ATOM 0 H GLY A 69 7.321 6.147 -2.962 1.00 0.00 H new ATOM 0 HA2 GLY A 69 5.859 7.777 -2.039 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.037 9.043 -2.322 1.00 0.00 H new ATOM 1038 N GLU A 70 5.988 7.588 -5.036 1.00 0.00 N ATOM 1039 CA GLU A 70 5.347 7.855 -6.353 1.00 0.00 C ATOM 1040 C GLU A 70 3.864 7.482 -6.284 1.00 0.00 C ATOM 1041 O GLU A 70 3.503 6.418 -5.822 1.00 0.00 O ATOM 1042 CB GLU A 70 6.034 7.017 -7.435 1.00 0.00 C ATOM 1043 CG GLU A 70 5.325 7.231 -8.773 1.00 0.00 C ATOM 1044 CD GLU A 70 5.633 8.635 -9.296 1.00 0.00 C ATOM 1045 OE1 GLU A 70 6.696 9.144 -8.980 1.00 0.00 O ATOM 1046 OE2 GLU A 70 4.800 9.179 -10.003 1.00 0.00 O ATOM 0 H GLU A 70 6.461 6.688 -4.958 1.00 0.00 H new ATOM 0 HA GLU A 70 5.445 8.913 -6.596 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.083 7.300 -7.518 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.009 5.962 -7.163 1.00 0.00 H new ATOM 0 HG2 GLU A 70 5.654 6.483 -9.494 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.249 7.105 -8.651 1.00 0.00 H new ATOM 1053 N LEU A 71 3.002 8.350 -6.740 1.00 0.00 N ATOM 1054 CA LEU A 71 1.545 8.044 -6.700 1.00 0.00 C ATOM 1055 C LEU A 71 1.243 6.874 -7.638 1.00 0.00 C ATOM 1056 O LEU A 71 1.385 6.977 -8.840 1.00 0.00 O ATOM 1057 CB LEU A 71 0.753 9.274 -7.148 1.00 0.00 C ATOM 1058 CG LEU A 71 -0.739 9.034 -6.915 1.00 0.00 C ATOM 1059 CD1 LEU A 71 -1.368 10.285 -6.299 1.00 0.00 C ATOM 1060 CD2 LEU A 71 -1.420 8.727 -8.251 1.00 0.00 C ATOM 0 H LEU A 71 3.244 9.257 -7.138 1.00 0.00 H new ATOM 0 HA LEU A 71 1.258 7.777 -5.683 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.082 10.153 -6.593 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.939 9.475 -8.203 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.869 8.191 -6.237 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.432 10.113 -6.133 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.883 10.505 -5.348 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.238 11.129 -6.977 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.484 8.556 -8.086 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.289 9.571 -8.929 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.973 7.836 -8.691 1.00 0.00 H new ATOM 1072 N LEU A 72 0.828 5.761 -7.098 1.00 0.00 N ATOM 1073 CA LEU A 72 0.518 4.585 -7.960 1.00 0.00 C ATOM 1074 C LEU A 72 -0.985 4.542 -8.242 1.00 0.00 C ATOM 1075 O LEU A 72 -1.429 3.947 -9.204 1.00 0.00 O ATOM 1076 CB LEU A 72 0.940 3.301 -7.242 1.00 0.00 C ATOM 1077 CG LEU A 72 2.222 3.557 -6.450 1.00 0.00 C ATOM 1078 CD1 LEU A 72 2.488 2.376 -5.514 1.00 0.00 C ATOM 1079 CD2 LEU A 72 3.396 3.713 -7.419 1.00 0.00 C ATOM 0 H LEU A 72 0.690 5.615 -6.098 1.00 0.00 H new ATOM 0 HA LEU A 72 1.062 4.670 -8.901 1.00 0.00 H new ATOM 0 HB2 LEU A 72 0.147 2.969 -6.572 1.00 0.00 H new ATOM 0 HB3 LEU A 72 1.101 2.503 -7.967 1.00 0.00 H new ATOM 0 HG LEU A 72 2.111 4.468 -5.863 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.402 2.558 -4.949 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.652 2.263 -4.824 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.600 1.464 -6.101 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.311 3.896 -6.856 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.507 2.801 -8.006 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.207 4.553 -8.087 1.00 0.00 H new ATOM 1091 N GLY A 73 -1.772 5.166 -7.409 1.00 0.00 N ATOM 1092 CA GLY A 73 -3.246 5.160 -7.630 1.00 0.00 C ATOM 1093 C GLY A 73 -3.936 5.923 -6.498 1.00 0.00 C ATOM 1094 O GLY A 73 -3.380 6.111 -5.435 1.00 0.00 O ATOM 0 H GLY A 73 -1.458 5.679 -6.585 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -3.482 5.620 -8.589 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.614 4.135 -7.669 1.00 0.00 H new ATOM 1098 N LYS A 74 -5.144 6.365 -6.718 1.00 0.00 N ATOM 1099 CA LYS A 74 -5.868 7.116 -5.653 1.00 0.00 C ATOM 1100 C LYS A 74 -7.206 6.433 -5.367 1.00 0.00 C ATOM 1101 O LYS A 74 -7.937 6.076 -6.270 1.00 0.00 O ATOM 1102 CB LYS A 74 -6.117 8.551 -6.121 1.00 0.00 C ATOM 1103 CG LYS A 74 -4.879 9.403 -5.837 1.00 0.00 C ATOM 1104 CD LYS A 74 -5.241 10.520 -4.857 1.00 0.00 C ATOM 1105 CE LYS A 74 -5.614 11.783 -5.636 1.00 0.00 C ATOM 1106 NZ LYS A 74 -6.859 12.370 -5.067 1.00 0.00 N ATOM 0 H LYS A 74 -5.661 6.239 -7.588 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.266 7.129 -4.744 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.343 8.563 -7.187 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.983 8.967 -5.607 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.085 8.783 -5.420 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -4.497 9.829 -6.765 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -6.074 10.209 -4.227 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -4.400 10.724 -4.195 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -4.801 12.508 -5.585 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -5.761 11.543 -6.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -7.112 13.228 -5.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -7.633 11.679 -5.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -6.703 12.613 -4.068 1.00 0.00 H new ATOM 1120 N LEU A 75 -7.534 6.248 -4.118 1.00 0.00 N ATOM 1121 CA LEU A 75 -8.826 5.589 -3.777 1.00 0.00 C ATOM 1122 C LEU A 75 -9.907 6.654 -3.583 1.00 0.00 C ATOM 1123 O LEU A 75 -9.626 7.776 -3.213 1.00 0.00 O ATOM 1124 CB LEU A 75 -8.663 4.786 -2.484 1.00 0.00 C ATOM 1125 CG LEU A 75 -9.828 3.806 -2.341 1.00 0.00 C ATOM 1126 CD1 LEU A 75 -9.458 2.473 -2.996 1.00 0.00 C ATOM 1127 CD2 LEU A 75 -10.123 3.579 -0.858 1.00 0.00 C ATOM 0 H LEU A 75 -6.963 6.525 -3.319 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.117 4.920 -4.587 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -7.718 4.244 -2.497 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.633 5.459 -1.627 1.00 0.00 H new ATOM 0 HG LEU A 75 -10.711 4.218 -2.829 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -10.289 1.775 -2.894 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -9.247 2.633 -4.053 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -8.575 2.060 -2.508 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -10.953 2.881 -0.755 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -9.240 3.167 -0.370 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -10.387 4.528 -0.390 1.00 0.00 H new ATOM 1139 N THR A 76 -11.141 6.311 -3.831 1.00 0.00 N ATOM 1140 CA THR A 76 -12.239 7.304 -3.661 1.00 0.00 C ATOM 1141 C THR A 76 -13.019 6.996 -2.387 1.00 0.00 C ATOM 1142 O THR A 76 -12.532 6.351 -1.479 1.00 0.00 O ATOM 1143 CB THR A 76 -13.181 7.246 -4.872 1.00 0.00 C ATOM 1144 OG1 THR A 76 -13.913 8.460 -4.964 1.00 0.00 O ATOM 1145 CG2 THR A 76 -14.150 6.068 -4.735 1.00 0.00 C ATOM 0 H THR A 76 -11.436 5.386 -4.144 1.00 0.00 H new ATOM 0 HA THR A 76 -11.811 8.304 -3.586 1.00 0.00 H new ATOM 0 HB THR A 76 -12.587 7.109 -5.776 1.00 0.00 H new ATOM 0 HG1 THR A 76 -14.873 8.263 -4.982 1.00 0.00 H new ATOM 0 HG21 THR A 76 -14.812 6.039 -5.600 1.00 0.00 H new ATOM 0 HG22 THR A 76 -13.586 5.137 -4.678 1.00 0.00 H new ATOM 0 HG23 THR A 76 -14.743 6.188 -3.828 1.00 0.00 H new ATOM 1153 N GLU A 77 -14.227 7.458 -2.325 1.00 0.00 N ATOM 1154 CA GLU A 77 -15.070 7.209 -1.121 1.00 0.00 C ATOM 1155 C GLU A 77 -15.538 5.753 -1.119 1.00 0.00 C ATOM 1156 O GLU A 77 -15.210 4.983 -2.000 1.00 0.00 O ATOM 1157 CB GLU A 77 -16.285 8.137 -1.149 1.00 0.00 C ATOM 1158 CG GLU A 77 -15.818 9.590 -1.249 1.00 0.00 C ATOM 1159 CD GLU A 77 -15.371 10.079 0.129 1.00 0.00 C ATOM 1160 OE1 GLU A 77 -14.803 9.286 0.862 1.00 0.00 O ATOM 1161 OE2 GLU A 77 -15.604 11.238 0.430 1.00 0.00 O ATOM 0 H GLU A 77 -14.677 8.003 -3.060 1.00 0.00 H new ATOM 0 HA GLU A 77 -14.486 7.403 -0.221 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -16.924 7.891 -1.997 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -16.883 7.998 -0.248 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -14.995 9.670 -1.959 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -16.626 10.218 -1.625 1.00 0.00 H new ATOM 1168 N GLY A 78 -16.304 5.369 -0.134 1.00 0.00 N ATOM 1169 CA GLY A 78 -16.793 3.962 -0.077 1.00 0.00 C ATOM 1170 C GLY A 78 -17.963 3.787 -1.048 1.00 0.00 C ATOM 1171 O GLY A 78 -18.101 2.765 -1.689 1.00 0.00 O ATOM 0 H GLY A 78 -16.612 5.968 0.632 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -15.987 3.275 -0.335 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -17.109 3.717 0.937 1.00 0.00 H new ATOM 1175 N GLY A 79 -18.805 4.777 -1.161 1.00 0.00 N ATOM 1176 CA GLY A 79 -19.965 4.666 -2.090 1.00 0.00 C ATOM 1177 C GLY A 79 -20.901 5.858 -1.885 1.00 0.00 C ATOM 1178 O GLY A 79 -20.431 6.979 -1.984 1.00 0.00 O ATOM 0 H GLY A 79 -18.740 5.658 -0.651 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -19.616 4.638 -3.122 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -20.501 3.734 -1.909 1.00 0.00 H new TER 1182 GLY A 79