USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=10 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 Set 1.1: A 8 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 68 SER OG : rot 180:sc= -0.0338 USER MOD Set 2.1: A 17 THR OG1 : rot 180:sc= -0.126 USER MOD Set 2.2: A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ -178:sc= 0.189 (180deg=0.187) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -7:sc= 1.08 USER MOD Single : A 22 HIS : no HD1:sc= -9.08! C(o=-9.1!,f=-21!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 170:sc= 0.195 (180deg=0.164) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 20:sc= 0.189 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 91:sc= 0.656 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -11.113 9.863 1.186 1.00 0.00 N ATOM 2 CA ALA A 1 -10.293 9.161 0.160 1.00 0.00 C ATOM 3 C ALA A 1 -8.961 8.730 0.778 1.00 0.00 C ATOM 4 O ALA A 1 -8.458 9.355 1.688 1.00 0.00 O ATOM 5 CB ALA A 1 -10.028 10.106 -1.015 1.00 0.00 C ATOM 0 H1 ALA A 1 -12.032 10.126 0.776 1.00 0.00 H new ATOM 0 H2 ALA A 1 -11.265 9.233 2.000 1.00 0.00 H new ATOM 0 H3 ALA A 1 -10.616 10.721 1.500 1.00 0.00 H new ATOM 0 HA ALA A 1 -10.830 8.281 -0.195 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -9.428 9.593 -1.766 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -10.976 10.413 -1.456 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -9.491 10.986 -0.660 1.00 0.00 H new ATOM 13 N ILE A 2 -8.386 7.665 0.288 1.00 0.00 N ATOM 14 CA ILE A 2 -7.088 7.196 0.849 1.00 0.00 C ATOM 15 C ILE A 2 -6.010 7.265 -0.235 1.00 0.00 C ATOM 16 O ILE A 2 -5.887 6.381 -1.059 1.00 0.00 O ATOM 17 CB ILE A 2 -7.234 5.751 1.330 1.00 0.00 C ATOM 18 CG1 ILE A 2 -8.520 5.614 2.149 1.00 0.00 C ATOM 19 CG2 ILE A 2 -6.034 5.380 2.205 1.00 0.00 C ATOM 20 CD1 ILE A 2 -8.515 6.640 3.283 1.00 0.00 C ATOM 0 H ILE A 2 -8.759 7.101 -0.475 1.00 0.00 H new ATOM 0 HA ILE A 2 -6.803 7.832 1.687 1.00 0.00 H new ATOM 0 HB ILE A 2 -7.277 5.085 0.468 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -9.389 5.768 1.509 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -8.598 4.606 2.557 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -6.138 4.351 2.548 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -5.116 5.478 1.625 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -5.992 6.047 3.066 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -9.431 6.542 3.866 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -7.654 6.465 3.928 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -8.457 7.645 2.864 1.00 0.00 H new ATOM 32 N ASP A 3 -5.228 8.309 -0.241 1.00 0.00 N ATOM 33 CA ASP A 3 -4.159 8.434 -1.271 1.00 0.00 C ATOM 34 C ASP A 3 -3.189 7.259 -1.144 1.00 0.00 C ATOM 35 O ASP A 3 -2.793 6.881 -0.058 1.00 0.00 O ATOM 36 CB ASP A 3 -3.401 9.747 -1.063 1.00 0.00 C ATOM 37 CG ASP A 3 -2.487 10.004 -2.262 1.00 0.00 C ATOM 38 OD1 ASP A 3 -1.594 9.204 -2.485 1.00 0.00 O ATOM 39 OD2 ASP A 3 -2.697 10.997 -2.939 1.00 0.00 O ATOM 0 H ASP A 3 -5.283 9.081 0.423 1.00 0.00 H new ATOM 0 HA ASP A 3 -4.609 8.428 -2.264 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -4.105 10.571 -0.946 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -2.812 9.698 -0.147 1.00 0.00 H new ATOM 44 N ILE A 4 -2.800 6.676 -2.246 1.00 0.00 N ATOM 45 CA ILE A 4 -1.856 5.525 -2.187 1.00 0.00 C ATOM 46 C ILE A 4 -0.531 5.919 -2.843 1.00 0.00 C ATOM 47 O ILE A 4 -0.485 6.285 -4.001 1.00 0.00 O ATOM 48 CB ILE A 4 -2.458 4.332 -2.930 1.00 0.00 C ATOM 49 CG1 ILE A 4 -3.764 3.916 -2.250 1.00 0.00 C ATOM 50 CG2 ILE A 4 -1.474 3.162 -2.901 1.00 0.00 C ATOM 51 CD1 ILE A 4 -4.547 2.983 -3.175 1.00 0.00 C ATOM 0 H ILE A 4 -3.095 6.948 -3.184 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.680 5.253 -1.146 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.658 4.612 -3.964 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.551 3.415 -1.306 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.361 4.797 -2.015 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.904 2.312 -3.431 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.543 3.458 -3.384 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.273 2.881 -1.867 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.477 2.687 -2.690 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.772 3.500 -4.108 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.950 2.096 -3.387 1.00 0.00 H new ATOM 63 N LYS A 5 0.548 5.848 -2.113 1.00 0.00 N ATOM 64 CA LYS A 5 1.869 6.218 -2.696 1.00 0.00 C ATOM 65 C LYS A 5 2.836 5.040 -2.559 1.00 0.00 C ATOM 66 O LYS A 5 2.500 4.010 -2.009 1.00 0.00 O ATOM 67 CB LYS A 5 2.433 7.430 -1.952 1.00 0.00 C ATOM 68 CG LYS A 5 1.362 8.519 -1.866 1.00 0.00 C ATOM 69 CD LYS A 5 2.012 9.842 -1.451 1.00 0.00 C ATOM 70 CE LYS A 5 2.478 10.595 -2.697 1.00 0.00 C ATOM 71 NZ LYS A 5 2.429 12.062 -2.438 1.00 0.00 N ATOM 0 H LYS A 5 0.572 5.550 -1.138 1.00 0.00 H new ATOM 0 HA LYS A 5 1.744 6.464 -3.750 1.00 0.00 H new ATOM 0 HB2 LYS A 5 2.753 7.139 -0.951 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.313 7.811 -2.470 1.00 0.00 H new ATOM 0 HG2 LYS A 5 0.865 8.632 -2.829 1.00 0.00 H new ATOM 0 HG3 LYS A 5 0.597 8.235 -1.144 1.00 0.00 H new ATOM 0 HD2 LYS A 5 1.300 10.449 -0.891 1.00 0.00 H new ATOM 0 HD3 LYS A 5 2.858 9.652 -0.790 1.00 0.00 H new ATOM 0 HE2 LYS A 5 3.493 10.295 -2.958 1.00 0.00 H new ATOM 0 HE3 LYS A 5 1.843 10.343 -3.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 2.746 12.575 -3.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 1.454 12.342 -2.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 3.053 12.295 -1.639 1.00 0.00 H new ATOM 85 N ALA A 6 4.035 5.183 -3.055 1.00 0.00 N ATOM 86 CA ALA A 6 5.021 4.071 -2.952 1.00 0.00 C ATOM 87 C ALA A 6 5.718 4.130 -1.589 1.00 0.00 C ATOM 88 O ALA A 6 5.651 5.132 -0.905 1.00 0.00 O ATOM 89 CB ALA A 6 6.062 4.209 -4.065 1.00 0.00 C ATOM 0 H ALA A 6 4.374 6.022 -3.527 1.00 0.00 H new ATOM 0 HA ALA A 6 4.505 3.116 -3.054 1.00 0.00 H new ATOM 0 HB1 ALA A 6 6.784 3.396 -3.991 1.00 0.00 H new ATOM 0 HB2 ALA A 6 5.566 4.166 -5.035 1.00 0.00 H new ATOM 0 HB3 ALA A 6 6.579 5.163 -3.964 1.00 0.00 H new ATOM 95 N PRO A 7 6.368 3.051 -1.240 1.00 0.00 N ATOM 96 CA PRO A 7 7.095 2.939 0.037 1.00 0.00 C ATOM 97 C PRO A 7 8.435 3.675 -0.044 1.00 0.00 C ATOM 98 O PRO A 7 9.294 3.334 -0.832 1.00 0.00 O ATOM 99 CB PRO A 7 7.307 1.432 0.199 1.00 0.00 C ATOM 100 CG PRO A 7 7.210 0.823 -1.221 1.00 0.00 C ATOM 101 CD PRO A 7 6.440 1.841 -2.084 1.00 0.00 C ATOM 0 HA PRO A 7 6.558 3.381 0.876 1.00 0.00 H new ATOM 0 HB2 PRO A 7 8.279 1.222 0.646 1.00 0.00 H new ATOM 0 HB3 PRO A 7 6.553 1.002 0.858 1.00 0.00 H new ATOM 0 HG2 PRO A 7 8.202 0.638 -1.632 1.00 0.00 H new ATOM 0 HG3 PRO A 7 6.692 -0.136 -1.197 1.00 0.00 H new ATOM 0 HD2 PRO A 7 6.958 2.040 -3.022 1.00 0.00 H new ATOM 0 HD3 PRO A 7 5.446 1.475 -2.340 1.00 0.00 H new ATOM 109 N THR A 8 8.620 4.682 0.765 1.00 0.00 N ATOM 110 CA THR A 8 9.904 5.437 0.734 1.00 0.00 C ATOM 111 C THR A 8 11.072 4.464 0.905 1.00 0.00 C ATOM 112 O THR A 8 11.036 3.575 1.733 1.00 0.00 O ATOM 113 CB THR A 8 9.921 6.462 1.871 1.00 0.00 C ATOM 114 OG1 THR A 8 11.265 6.824 2.159 1.00 0.00 O ATOM 115 CG2 THR A 8 9.276 5.855 3.117 1.00 0.00 C ATOM 0 H THR A 8 7.937 5.014 1.446 1.00 0.00 H new ATOM 0 HA THR A 8 9.999 5.953 -0.221 1.00 0.00 H new ATOM 0 HB THR A 8 9.362 7.348 1.571 1.00 0.00 H new ATOM 0 HG1 THR A 8 11.278 7.481 2.886 1.00 0.00 H new ATOM 0 HG21 THR A 8 9.289 6.586 3.926 1.00 0.00 H new ATOM 0 HG22 THR A 8 8.246 5.577 2.895 1.00 0.00 H new ATOM 0 HG23 THR A 8 9.833 4.969 3.420 1.00 0.00 H new ATOM 123 N PHE A 9 12.109 4.626 0.130 1.00 0.00 N ATOM 124 CA PHE A 9 13.279 3.710 0.250 1.00 0.00 C ATOM 125 C PHE A 9 14.331 4.343 1.165 1.00 0.00 C ATOM 126 O PHE A 9 14.380 5.549 1.310 1.00 0.00 O ATOM 127 CB PHE A 9 13.885 3.472 -1.135 1.00 0.00 C ATOM 128 CG PHE A 9 12.779 3.209 -2.129 1.00 0.00 C ATOM 129 CD1 PHE A 9 12.039 2.022 -2.056 1.00 0.00 C ATOM 130 CD2 PHE A 9 12.494 4.152 -3.126 1.00 0.00 C ATOM 131 CE1 PHE A 9 11.013 1.778 -2.979 1.00 0.00 C ATOM 132 CE2 PHE A 9 11.469 3.909 -4.049 1.00 0.00 C ATOM 133 CZ PHE A 9 10.729 2.721 -3.975 1.00 0.00 C ATOM 0 H PHE A 9 12.197 5.352 -0.581 1.00 0.00 H new ATOM 0 HA PHE A 9 12.954 2.759 0.673 1.00 0.00 H new ATOM 0 HB2 PHE A 9 14.467 4.341 -1.443 1.00 0.00 H new ATOM 0 HB3 PHE A 9 14.570 2.624 -1.104 1.00 0.00 H new ATOM 0 HD1 PHE A 9 12.259 1.295 -1.288 1.00 0.00 H new ATOM 0 HD2 PHE A 9 13.065 5.067 -3.183 1.00 0.00 H new ATOM 0 HE1 PHE A 9 10.442 0.863 -2.922 1.00 0.00 H new ATOM 0 HE2 PHE A 9 11.249 4.636 -4.817 1.00 0.00 H new ATOM 0 HZ PHE A 9 9.939 2.532 -4.687 1.00 0.00 H new ATOM 143 N PRO A 10 15.143 3.505 1.758 1.00 0.00 N ATOM 144 CA PRO A 10 16.212 3.944 2.672 1.00 0.00 C ATOM 145 C PRO A 10 17.406 4.481 1.877 1.00 0.00 C ATOM 146 O PRO A 10 17.384 4.530 0.662 1.00 0.00 O ATOM 147 CB PRO A 10 16.588 2.667 3.425 1.00 0.00 C ATOM 148 CG PRO A 10 16.137 1.484 2.534 1.00 0.00 C ATOM 149 CD PRO A 10 15.069 2.040 1.573 1.00 0.00 C ATOM 0 HA PRO A 10 15.903 4.750 3.338 1.00 0.00 H new ATOM 0 HB2 PRO A 10 17.662 2.627 3.609 1.00 0.00 H new ATOM 0 HB3 PRO A 10 16.096 2.630 4.397 1.00 0.00 H new ATOM 0 HG2 PRO A 10 16.981 1.073 1.980 1.00 0.00 H new ATOM 0 HG3 PRO A 10 15.729 0.675 3.141 1.00 0.00 H new ATOM 0 HD2 PRO A 10 15.276 1.758 0.541 1.00 0.00 H new ATOM 0 HD3 PRO A 10 14.077 1.657 1.815 1.00 0.00 H new ATOM 157 N GLU A 11 18.448 4.882 2.552 1.00 0.00 N ATOM 158 CA GLU A 11 19.641 5.414 1.834 1.00 0.00 C ATOM 159 C GLU A 11 20.221 4.324 0.932 1.00 0.00 C ATOM 160 O GLU A 11 20.576 4.570 -0.204 1.00 0.00 O ATOM 161 CB GLU A 11 20.696 5.849 2.853 1.00 0.00 C ATOM 162 CG GLU A 11 21.273 4.615 3.551 1.00 0.00 C ATOM 163 CD GLU A 11 22.219 5.055 4.669 1.00 0.00 C ATOM 164 OE1 GLU A 11 23.084 5.871 4.400 1.00 0.00 O ATOM 165 OE2 GLU A 11 22.061 4.567 5.777 1.00 0.00 O ATOM 0 H GLU A 11 18.525 4.864 3.569 1.00 0.00 H new ATOM 0 HA GLU A 11 19.348 6.270 1.226 1.00 0.00 H new ATOM 0 HB2 GLU A 11 21.491 6.403 2.354 1.00 0.00 H new ATOM 0 HB3 GLU A 11 20.252 6.521 3.588 1.00 0.00 H new ATOM 0 HG2 GLU A 11 20.467 4.006 3.961 1.00 0.00 H new ATOM 0 HG3 GLU A 11 21.807 3.994 2.832 1.00 0.00 H new ATOM 172 N SER A 12 20.324 3.121 1.430 1.00 0.00 N ATOM 173 CA SER A 12 20.883 2.015 0.605 1.00 0.00 C ATOM 174 C SER A 12 20.311 2.091 -0.812 1.00 0.00 C ATOM 175 O SER A 12 20.991 2.463 -1.747 1.00 0.00 O ATOM 176 CB SER A 12 20.509 0.673 1.234 1.00 0.00 C ATOM 177 OG SER A 12 21.666 -0.150 1.309 1.00 0.00 O ATOM 0 H SER A 12 20.044 2.858 2.375 1.00 0.00 H new ATOM 0 HA SER A 12 21.968 2.108 0.562 1.00 0.00 H new ATOM 0 HB2 SER A 12 20.094 0.828 2.230 1.00 0.00 H new ATOM 0 HB3 SER A 12 19.738 0.182 0.640 1.00 0.00 H new ATOM 0 HG SER A 12 21.430 -1.011 1.714 1.00 0.00 H new ATOM 183 N ILE A 13 19.064 1.743 -0.978 1.00 0.00 N ATOM 184 CA ILE A 13 18.450 1.796 -2.334 1.00 0.00 C ATOM 185 C ILE A 13 17.803 3.166 -2.547 1.00 0.00 C ATOM 186 O ILE A 13 17.636 3.935 -1.622 1.00 0.00 O ATOM 187 CB ILE A 13 17.385 0.704 -2.454 1.00 0.00 C ATOM 188 CG1 ILE A 13 17.945 -0.615 -1.919 1.00 0.00 C ATOM 189 CG2 ILE A 13 16.994 0.532 -3.924 1.00 0.00 C ATOM 190 CD1 ILE A 13 17.217 -0.993 -0.629 1.00 0.00 C ATOM 0 H ILE A 13 18.444 1.424 -0.233 1.00 0.00 H new ATOM 0 HA ILE A 13 19.220 1.637 -3.089 1.00 0.00 H new ATOM 0 HB ILE A 13 16.507 0.988 -1.875 1.00 0.00 H new ATOM 0 HG12 ILE A 13 17.822 -1.403 -2.662 1.00 0.00 H new ATOM 0 HG13 ILE A 13 19.014 -0.518 -1.731 1.00 0.00 H new ATOM 0 HG21 ILE A 13 16.235 -0.246 -4.010 1.00 0.00 H new ATOM 0 HG22 ILE A 13 16.595 1.472 -4.307 1.00 0.00 H new ATOM 0 HG23 ILE A 13 17.872 0.248 -4.503 1.00 0.00 H new ATOM 0 HD11 ILE A 13 17.616 -1.933 -0.248 1.00 0.00 H new ATOM 0 HD12 ILE A 13 17.363 -0.209 0.114 1.00 0.00 H new ATOM 0 HD13 ILE A 13 16.152 -1.107 -0.832 1.00 0.00 H new ATOM 202 N ALA A 14 17.438 3.477 -3.761 1.00 0.00 N ATOM 203 CA ALA A 14 16.802 4.798 -4.032 1.00 0.00 C ATOM 204 C ALA A 14 15.698 4.627 -5.078 1.00 0.00 C ATOM 205 O ALA A 14 15.582 5.403 -6.004 1.00 0.00 O ATOM 206 CB ALA A 14 17.857 5.772 -4.559 1.00 0.00 C ATOM 0 H ALA A 14 17.552 2.874 -4.576 1.00 0.00 H new ATOM 0 HA ALA A 14 16.372 5.191 -3.111 1.00 0.00 H new ATOM 0 HB1 ALA A 14 17.393 6.738 -4.758 1.00 0.00 H new ATOM 0 HB2 ALA A 14 18.644 5.893 -3.815 1.00 0.00 H new ATOM 0 HB3 ALA A 14 18.286 5.379 -5.481 1.00 0.00 H new ATOM 212 N ASP A 15 14.884 3.616 -4.934 1.00 0.00 N ATOM 213 CA ASP A 15 13.788 3.398 -5.920 1.00 0.00 C ATOM 214 C ASP A 15 13.166 2.018 -5.694 1.00 0.00 C ATOM 215 O ASP A 15 13.442 1.355 -4.714 1.00 0.00 O ATOM 216 CB ASP A 15 14.355 3.475 -7.339 1.00 0.00 C ATOM 217 CG ASP A 15 15.774 2.903 -7.354 1.00 0.00 C ATOM 218 OD1 ASP A 15 15.905 1.694 -7.254 1.00 0.00 O ATOM 219 OD2 ASP A 15 16.705 3.684 -7.465 1.00 0.00 O ATOM 0 H ASP A 15 14.931 2.933 -4.178 1.00 0.00 H new ATOM 0 HA ASP A 15 13.026 4.166 -5.791 1.00 0.00 H new ATOM 0 HB2 ASP A 15 13.719 2.917 -8.027 1.00 0.00 H new ATOM 0 HB3 ASP A 15 14.365 4.509 -7.682 1.00 0.00 H new ATOM 224 N GLY A 16 12.329 1.580 -6.594 1.00 0.00 N ATOM 225 CA GLY A 16 11.690 0.244 -6.431 1.00 0.00 C ATOM 226 C GLY A 16 10.998 -0.154 -7.736 1.00 0.00 C ATOM 227 O GLY A 16 11.164 0.482 -8.757 1.00 0.00 O ATOM 0 H GLY A 16 12.060 2.090 -7.435 1.00 0.00 H new ATOM 0 HA2 GLY A 16 12.441 -0.500 -6.164 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.966 0.273 -5.617 1.00 0.00 H new ATOM 231 N THR A 17 10.221 -1.202 -7.710 1.00 0.00 N ATOM 232 CA THR A 17 9.519 -1.639 -8.950 1.00 0.00 C ATOM 233 C THR A 17 8.199 -2.317 -8.578 1.00 0.00 C ATOM 234 O THR A 17 8.165 -3.236 -7.784 1.00 0.00 O ATOM 235 CB THR A 17 10.403 -2.627 -9.716 1.00 0.00 C ATOM 236 OG1 THR A 17 11.688 -2.055 -9.915 1.00 0.00 O ATOM 237 CG2 THR A 17 9.765 -2.941 -11.071 1.00 0.00 C ATOM 0 H THR A 17 10.042 -1.774 -6.885 1.00 0.00 H new ATOM 0 HA THR A 17 9.316 -0.771 -9.577 1.00 0.00 H new ATOM 0 HB THR A 17 10.501 -3.548 -9.142 1.00 0.00 H new ATOM 0 HG1 THR A 17 12.255 -2.687 -10.404 1.00 0.00 H new ATOM 0 HG21 THR A 17 10.395 -3.644 -11.616 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.780 -3.381 -10.916 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.665 -2.022 -11.648 1.00 0.00 H new ATOM 245 N VAL A 18 7.111 -1.871 -9.145 1.00 0.00 N ATOM 246 CA VAL A 18 5.797 -2.491 -8.822 1.00 0.00 C ATOM 247 C VAL A 18 5.891 -4.008 -9.004 1.00 0.00 C ATOM 248 O VAL A 18 6.858 -4.521 -9.530 1.00 0.00 O ATOM 249 CB VAL A 18 4.726 -1.931 -9.759 1.00 0.00 C ATOM 250 CG1 VAL A 18 3.346 -2.416 -9.309 1.00 0.00 C ATOM 251 CG2 VAL A 18 4.765 -0.401 -9.717 1.00 0.00 C ATOM 0 H VAL A 18 7.077 -1.105 -9.817 1.00 0.00 H new ATOM 0 HA VAL A 18 5.532 -2.264 -7.789 1.00 0.00 H new ATOM 0 HB VAL A 18 4.917 -2.275 -10.775 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.584 -2.016 -9.978 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.317 -3.505 -9.336 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.153 -2.073 -8.293 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.002 0.001 -10.384 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.573 -0.060 -8.700 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.747 -0.053 -10.037 1.00 0.00 H new ATOM 261 N ALA A 19 4.893 -4.730 -8.572 1.00 0.00 N ATOM 262 CA ALA A 19 4.928 -6.213 -8.720 1.00 0.00 C ATOM 263 C ALA A 19 3.833 -6.656 -9.692 1.00 0.00 C ATOM 264 O ALA A 19 4.099 -6.997 -10.828 1.00 0.00 O ATOM 265 CB ALA A 19 4.695 -6.866 -7.357 1.00 0.00 C ATOM 0 H ALA A 19 4.056 -4.358 -8.124 1.00 0.00 H new ATOM 0 HA ALA A 19 5.901 -6.516 -9.107 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.720 -7.950 -7.464 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.476 -6.551 -6.665 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.723 -6.562 -6.970 1.00 0.00 H new ATOM 271 N THR A 20 2.603 -6.654 -9.257 1.00 0.00 N ATOM 272 CA THR A 20 1.494 -7.077 -10.157 1.00 0.00 C ATOM 273 C THR A 20 0.172 -6.498 -9.647 1.00 0.00 C ATOM 274 O THR A 20 -0.133 -6.563 -8.473 1.00 0.00 O ATOM 275 CB THR A 20 1.407 -8.605 -10.174 1.00 0.00 C ATOM 276 OG1 THR A 20 2.547 -9.135 -10.838 1.00 0.00 O ATOM 277 CG2 THR A 20 0.139 -9.040 -10.909 1.00 0.00 C ATOM 0 H THR A 20 2.318 -6.378 -8.317 1.00 0.00 H new ATOM 0 HA THR A 20 1.686 -6.711 -11.166 1.00 0.00 H new ATOM 0 HB THR A 20 1.375 -8.978 -9.150 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.070 -8.402 -11.225 1.00 0.00 H new ATOM 0 HG21 THR A 20 0.080 -10.128 -10.920 1.00 0.00 H new ATOM 0 HG22 THR A 20 -0.735 -8.634 -10.399 1.00 0.00 H new ATOM 0 HG23 THR A 20 0.167 -8.668 -11.933 1.00 0.00 H new ATOM 285 N TRP A 21 -0.615 -5.932 -10.520 1.00 0.00 N ATOM 286 CA TRP A 21 -1.909 -5.350 -10.095 1.00 0.00 C ATOM 287 C TRP A 21 -3.003 -6.417 -10.182 1.00 0.00 C ATOM 288 O TRP A 21 -3.707 -6.517 -11.167 1.00 0.00 O ATOM 289 CB TRP A 21 -2.252 -4.191 -11.024 1.00 0.00 C ATOM 290 CG TRP A 21 -1.704 -2.917 -10.466 1.00 0.00 C ATOM 291 CD1 TRP A 21 -0.546 -2.331 -10.854 1.00 0.00 C ATOM 292 CD2 TRP A 21 -2.267 -2.063 -9.430 1.00 0.00 C ATOM 293 NE1 TRP A 21 -0.368 -1.172 -10.118 1.00 0.00 N ATOM 294 CE2 TRP A 21 -1.398 -0.967 -9.232 1.00 0.00 C ATOM 295 CE3 TRP A 21 -3.437 -2.133 -8.651 1.00 0.00 C ATOM 296 CZ2 TRP A 21 -1.673 0.025 -8.299 1.00 0.00 C ATOM 297 CZ3 TRP A 21 -3.721 -1.132 -7.703 1.00 0.00 C ATOM 298 CH2 TRP A 21 -2.839 -0.054 -7.529 1.00 0.00 C ATOM 0 H TRP A 21 -0.411 -5.850 -11.516 1.00 0.00 H new ATOM 0 HA TRP A 21 -1.838 -4.994 -9.067 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -1.838 -4.373 -12.016 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -3.333 -4.113 -11.140 1.00 0.00 H new ATOM 0 HD1 TRP A 21 0.127 -2.706 -11.611 1.00 0.00 H new ATOM 0 HE1 TRP A 21 0.431 -0.546 -10.221 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -4.120 -2.959 -8.781 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -0.991 0.852 -8.169 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -4.620 -1.194 -7.108 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -3.060 0.713 -6.802 1.00 0.00 H new ATOM 309 N HIS A 22 -3.146 -7.220 -9.161 1.00 0.00 N ATOM 310 CA HIS A 22 -4.200 -8.287 -9.195 1.00 0.00 C ATOM 311 C HIS A 22 -5.493 -7.704 -9.767 1.00 0.00 C ATOM 312 O HIS A 22 -5.925 -8.064 -10.845 1.00 0.00 O ATOM 313 CB HIS A 22 -4.476 -8.823 -7.783 1.00 0.00 C ATOM 314 CG HIS A 22 -3.220 -8.759 -6.968 1.00 0.00 C ATOM 315 ND1 HIS A 22 -2.817 -7.594 -6.342 1.00 0.00 N ATOM 316 CD2 HIS A 22 -2.239 -9.684 -6.710 1.00 0.00 C ATOM 317 CE1 HIS A 22 -1.640 -7.837 -5.753 1.00 0.00 C ATOM 318 NE2 HIS A 22 -1.239 -9.098 -5.941 1.00 0.00 N ATOM 0 H HIS A 22 -2.586 -7.188 -8.309 1.00 0.00 H new ATOM 0 HA HIS A 22 -3.845 -9.106 -9.821 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -5.261 -8.236 -7.307 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -4.835 -9.851 -7.837 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -2.243 -10.709 -7.051 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -1.081 -7.102 -5.193 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -0.385 -9.536 -5.596 1.00 0.00 H new ATOM 326 N LYS A 23 -6.114 -6.804 -9.055 1.00 0.00 N ATOM 327 CA LYS A 23 -7.378 -6.196 -9.558 1.00 0.00 C ATOM 328 C LYS A 23 -7.049 -4.959 -10.397 1.00 0.00 C ATOM 329 O LYS A 23 -5.904 -4.684 -10.692 1.00 0.00 O ATOM 330 CB LYS A 23 -8.256 -5.791 -8.372 1.00 0.00 C ATOM 331 CG LYS A 23 -8.412 -6.981 -7.423 1.00 0.00 C ATOM 332 CD LYS A 23 -9.739 -6.861 -6.669 1.00 0.00 C ATOM 333 CE LYS A 23 -10.837 -7.588 -7.448 1.00 0.00 C ATOM 334 NZ LYS A 23 -11.557 -8.522 -6.536 1.00 0.00 N ATOM 0 H LYS A 23 -5.800 -6.463 -8.146 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.911 -6.921 -10.173 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.808 -4.948 -7.845 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.234 -5.463 -8.725 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.384 -7.914 -7.985 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.582 -7.009 -6.717 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.642 -7.289 -5.671 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -10.003 -5.811 -6.541 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -11.535 -6.867 -7.873 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -10.402 -8.139 -8.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -12.304 -9.017 -7.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.886 -9.217 -6.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.984 -7.984 -5.755 1.00 0.00 H new ATOM 348 N LYS A 24 -8.046 -4.211 -10.782 1.00 0.00 N ATOM 349 CA LYS A 24 -7.791 -2.992 -11.601 1.00 0.00 C ATOM 350 C LYS A 24 -8.555 -1.807 -11.003 1.00 0.00 C ATOM 351 O LYS A 24 -9.443 -1.989 -10.195 1.00 0.00 O ATOM 352 CB LYS A 24 -8.262 -3.232 -13.037 1.00 0.00 C ATOM 353 CG LYS A 24 -9.465 -4.179 -13.033 1.00 0.00 C ATOM 354 CD LYS A 24 -9.979 -4.357 -14.463 1.00 0.00 C ATOM 355 CE LYS A 24 -10.233 -5.840 -14.734 1.00 0.00 C ATOM 356 NZ LYS A 24 -11.609 -6.019 -15.277 1.00 0.00 N ATOM 0 H LYS A 24 -9.026 -4.391 -10.565 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.723 -2.773 -11.603 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.534 -2.285 -13.504 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.453 -3.659 -13.629 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -9.180 -5.144 -12.615 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -10.255 -3.778 -12.398 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.898 -3.788 -14.604 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.251 -3.966 -15.174 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -9.499 -6.222 -15.443 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -10.116 -6.414 -13.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -11.723 -6.995 -15.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -12.305 -5.831 -14.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -11.760 -5.357 -16.064 1.00 0.00 H new ATOM 370 N PRO A 25 -8.185 -0.624 -11.425 1.00 0.00 N ATOM 371 CA PRO A 25 -8.817 0.620 -10.952 1.00 0.00 C ATOM 372 C PRO A 25 -10.173 0.822 -11.633 1.00 0.00 C ATOM 373 O PRO A 25 -10.253 1.248 -12.768 1.00 0.00 O ATOM 374 CB PRO A 25 -7.825 1.708 -11.372 1.00 0.00 C ATOM 375 CG PRO A 25 -6.988 1.113 -12.528 1.00 0.00 C ATOM 376 CD PRO A 25 -7.103 -0.418 -12.410 1.00 0.00 C ATOM 0 HA PRO A 25 -9.014 0.622 -9.880 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -8.349 2.608 -11.695 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.186 1.994 -10.537 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -7.361 1.457 -13.493 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -5.948 1.430 -12.457 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -7.345 -0.875 -13.370 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -6.167 -0.863 -12.073 1.00 0.00 H new ATOM 384 N GLY A 26 -11.242 0.517 -10.948 1.00 0.00 N ATOM 385 CA GLY A 26 -12.592 0.689 -11.556 1.00 0.00 C ATOM 386 C GLY A 26 -13.549 -0.351 -10.971 1.00 0.00 C ATOM 387 O GLY A 26 -14.753 -0.229 -11.075 1.00 0.00 O ATOM 0 H GLY A 26 -11.238 0.156 -9.994 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -12.966 1.694 -11.360 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -12.532 0.576 -12.639 1.00 0.00 H new ATOM 391 N GLU A 27 -13.023 -1.375 -10.356 1.00 0.00 N ATOM 392 CA GLU A 27 -13.902 -2.423 -9.765 1.00 0.00 C ATOM 393 C GLU A 27 -14.175 -2.090 -8.297 1.00 0.00 C ATOM 394 O GLU A 27 -13.716 -1.089 -7.781 1.00 0.00 O ATOM 395 CB GLU A 27 -13.208 -3.783 -9.859 1.00 0.00 C ATOM 396 CG GLU A 27 -12.819 -4.059 -11.314 1.00 0.00 C ATOM 397 CD GLU A 27 -14.006 -4.683 -12.050 1.00 0.00 C ATOM 398 OE1 GLU A 27 -15.128 -4.431 -11.645 1.00 0.00 O ATOM 399 OE2 GLU A 27 -13.772 -5.402 -13.007 1.00 0.00 O ATOM 0 H GLU A 27 -12.022 -1.531 -10.237 1.00 0.00 H new ATOM 0 HA GLU A 27 -14.845 -2.458 -10.311 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.321 -3.795 -9.226 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -13.871 -4.567 -9.494 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -12.520 -3.132 -11.804 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.961 -4.730 -11.351 1.00 0.00 H new ATOM 406 N ALA A 28 -14.918 -2.921 -7.618 1.00 0.00 N ATOM 407 CA ALA A 28 -15.218 -2.651 -6.184 1.00 0.00 C ATOM 408 C ALA A 28 -14.111 -3.243 -5.310 1.00 0.00 C ATOM 409 O ALA A 28 -13.380 -4.119 -5.727 1.00 0.00 O ATOM 410 CB ALA A 28 -16.558 -3.292 -5.814 1.00 0.00 C ATOM 0 H ALA A 28 -15.330 -3.775 -7.995 1.00 0.00 H new ATOM 0 HA ALA A 28 -15.272 -1.575 -6.021 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -16.778 -3.095 -4.765 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -17.347 -2.870 -6.436 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -16.504 -4.368 -5.977 1.00 0.00 H new ATOM 416 N VAL A 29 -13.982 -2.771 -4.100 1.00 0.00 N ATOM 417 CA VAL A 29 -12.920 -3.309 -3.202 1.00 0.00 C ATOM 418 C VAL A 29 -13.447 -3.361 -1.766 1.00 0.00 C ATOM 419 O VAL A 29 -14.356 -2.642 -1.401 1.00 0.00 O ATOM 420 CB VAL A 29 -11.693 -2.398 -3.262 1.00 0.00 C ATOM 421 CG1 VAL A 29 -10.611 -2.937 -2.324 1.00 0.00 C ATOM 422 CG2 VAL A 29 -11.155 -2.363 -4.694 1.00 0.00 C ATOM 0 H VAL A 29 -14.564 -2.038 -3.695 1.00 0.00 H new ATOM 0 HA VAL A 29 -12.643 -4.313 -3.525 1.00 0.00 H new ATOM 0 HB VAL A 29 -11.972 -1.391 -2.953 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -9.736 -2.288 -2.367 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -10.994 -2.963 -1.304 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -10.331 -3.944 -2.633 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -10.280 -1.714 -4.738 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -10.875 -3.370 -5.002 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -11.926 -1.980 -5.363 1.00 0.00 H new ATOM 432 N LYS A 30 -12.882 -4.206 -0.947 1.00 0.00 N ATOM 433 CA LYS A 30 -13.351 -4.304 0.464 1.00 0.00 C ATOM 434 C LYS A 30 -12.147 -4.491 1.390 1.00 0.00 C ATOM 435 O LYS A 30 -11.201 -5.179 1.061 1.00 0.00 O ATOM 436 CB LYS A 30 -14.294 -5.500 0.607 1.00 0.00 C ATOM 437 CG LYS A 30 -15.079 -5.378 1.914 1.00 0.00 C ATOM 438 CD LYS A 30 -15.703 -6.730 2.264 1.00 0.00 C ATOM 439 CE LYS A 30 -16.861 -6.522 3.242 1.00 0.00 C ATOM 440 NZ LYS A 30 -17.596 -7.806 3.423 1.00 0.00 N ATOM 0 H LYS A 30 -12.116 -4.833 -1.194 1.00 0.00 H new ATOM 0 HA LYS A 30 -13.880 -3.390 0.735 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -14.980 -5.539 -0.239 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -13.724 -6.429 0.598 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -14.419 -5.051 2.718 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -15.857 -4.622 1.814 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -16.061 -7.222 1.360 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -14.953 -7.385 2.707 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -16.482 -6.169 4.201 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -17.536 -5.754 2.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -18.383 -7.665 4.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -17.970 -8.124 2.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -16.948 -8.526 3.801 1.00 0.00 H new ATOM 454 N ARG A 31 -12.174 -3.880 2.543 1.00 0.00 N ATOM 455 CA ARG A 31 -11.034 -4.017 3.489 1.00 0.00 C ATOM 456 C ARG A 31 -10.573 -5.476 3.531 1.00 0.00 C ATOM 457 O ARG A 31 -11.346 -6.387 3.313 1.00 0.00 O ATOM 458 CB ARG A 31 -11.478 -3.583 4.888 1.00 0.00 C ATOM 459 CG ARG A 31 -10.251 -3.203 5.719 1.00 0.00 C ATOM 460 CD ARG A 31 -10.285 -3.950 7.053 1.00 0.00 C ATOM 461 NE ARG A 31 -11.662 -3.886 7.623 1.00 0.00 N ATOM 462 CZ ARG A 31 -11.968 -4.604 8.669 1.00 0.00 C ATOM 463 NH1 ARG A 31 -11.249 -4.517 9.754 1.00 0.00 N ATOM 464 NH2 ARG A 31 -12.995 -5.408 8.630 1.00 0.00 N ATOM 0 H ARG A 31 -12.939 -3.290 2.870 1.00 0.00 H new ATOM 0 HA ARG A 31 -10.210 -3.387 3.155 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -12.159 -2.735 4.818 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -12.024 -4.391 5.375 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -9.340 -3.451 5.175 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -10.236 -2.127 5.893 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -9.988 -4.989 6.908 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -9.571 -3.508 7.748 1.00 0.00 H new ATOM 0 HE ARG A 31 -12.364 -3.282 7.196 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -10.447 -3.887 9.785 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -11.489 -5.078 10.571 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -13.558 -5.475 7.782 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -13.235 -5.969 9.447 1.00 0.00 H new ATOM 478 N ASP A 32 -9.319 -5.705 3.809 1.00 0.00 N ATOM 479 CA ASP A 32 -8.811 -7.104 3.864 1.00 0.00 C ATOM 480 C ASP A 32 -8.828 -7.708 2.459 1.00 0.00 C ATOM 481 O ASP A 32 -9.174 -8.859 2.272 1.00 0.00 O ATOM 482 CB ASP A 32 -9.705 -7.935 4.787 1.00 0.00 C ATOM 483 CG ASP A 32 -8.953 -9.190 5.234 1.00 0.00 C ATOM 484 OD1 ASP A 32 -9.014 -10.178 4.520 1.00 0.00 O ATOM 485 OD2 ASP A 32 -8.328 -9.143 6.280 1.00 0.00 O ATOM 0 H ASP A 32 -8.624 -4.983 4.000 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.791 -7.105 4.248 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -9.997 -7.345 5.656 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.622 -8.214 4.268 1.00 0.00 H new ATOM 490 N GLU A 33 -8.456 -6.944 1.469 1.00 0.00 N ATOM 491 CA GLU A 33 -8.452 -7.477 0.077 1.00 0.00 C ATOM 492 C GLU A 33 -7.214 -6.964 -0.662 1.00 0.00 C ATOM 493 O GLU A 33 -7.099 -5.791 -0.957 1.00 0.00 O ATOM 494 CB GLU A 33 -9.713 -7.007 -0.652 1.00 0.00 C ATOM 495 CG GLU A 33 -9.812 -7.711 -2.007 1.00 0.00 C ATOM 496 CD GLU A 33 -11.175 -8.393 -2.129 1.00 0.00 C ATOM 497 OE1 GLU A 33 -12.105 -7.936 -1.484 1.00 0.00 O ATOM 498 OE2 GLU A 33 -11.267 -9.362 -2.865 1.00 0.00 O ATOM 0 H GLU A 33 -8.155 -5.974 1.563 1.00 0.00 H new ATOM 0 HA GLU A 33 -8.433 -8.566 0.105 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.596 -7.226 -0.051 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.683 -5.927 -0.793 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -9.681 -6.990 -2.814 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -9.015 -8.448 -2.105 1.00 0.00 H new ATOM 505 N LEU A 34 -6.288 -7.834 -0.961 1.00 0.00 N ATOM 506 CA LEU A 34 -5.059 -7.401 -1.680 1.00 0.00 C ATOM 507 C LEU A 34 -5.435 -6.431 -2.801 1.00 0.00 C ATOM 508 O LEU A 34 -6.580 -6.343 -3.199 1.00 0.00 O ATOM 509 CB LEU A 34 -4.358 -8.624 -2.276 1.00 0.00 C ATOM 510 CG LEU A 34 -3.061 -8.188 -2.959 1.00 0.00 C ATOM 511 CD1 LEU A 34 -2.153 -7.500 -1.938 1.00 0.00 C ATOM 512 CD2 LEU A 34 -2.348 -9.417 -3.527 1.00 0.00 C ATOM 0 H LEU A 34 -6.331 -8.828 -0.737 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.388 -6.902 -0.981 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.142 -9.350 -1.492 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.012 -9.116 -2.995 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.291 -7.493 -3.767 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.228 -7.189 -2.425 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.661 -6.626 -1.531 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.922 -8.194 -1.130 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.423 -9.108 -4.014 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.118 -10.110 -2.718 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.994 -9.909 -4.254 1.00 0.00 H new ATOM 524 N ILE A 35 -4.482 -5.702 -3.315 1.00 0.00 N ATOM 525 CA ILE A 35 -4.791 -4.740 -4.410 1.00 0.00 C ATOM 526 C ILE A 35 -3.592 -4.635 -5.355 1.00 0.00 C ATOM 527 O ILE A 35 -3.740 -4.627 -6.560 1.00 0.00 O ATOM 528 CB ILE A 35 -5.091 -3.366 -3.812 1.00 0.00 C ATOM 529 CG1 ILE A 35 -6.372 -3.442 -2.977 1.00 0.00 C ATOM 530 CG2 ILE A 35 -5.277 -2.347 -4.937 1.00 0.00 C ATOM 531 CD1 ILE A 35 -6.738 -2.045 -2.472 1.00 0.00 C ATOM 0 H ILE A 35 -3.505 -5.731 -3.024 1.00 0.00 H new ATOM 0 HA ILE A 35 -5.660 -5.092 -4.966 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.260 -3.058 -3.178 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.186 -3.848 -3.578 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.230 -4.119 -2.134 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.491 -1.368 -4.509 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.366 -2.292 -5.532 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.107 -2.654 -5.573 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.650 -2.100 -1.878 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.927 -1.657 -1.856 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -6.898 -1.381 -3.322 1.00 0.00 H new ATOM 543 N VAL A 36 -2.406 -4.553 -4.817 1.00 0.00 N ATOM 544 CA VAL A 36 -1.202 -4.447 -5.689 1.00 0.00 C ATOM 545 C VAL A 36 0.040 -4.864 -4.899 1.00 0.00 C ATOM 546 O VAL A 36 0.214 -4.493 -3.756 1.00 0.00 O ATOM 547 CB VAL A 36 -1.044 -3.001 -6.163 1.00 0.00 C ATOM 548 CG1 VAL A 36 -0.839 -2.087 -4.954 1.00 0.00 C ATOM 549 CG2 VAL A 36 0.169 -2.900 -7.090 1.00 0.00 C ATOM 0 H VAL A 36 -2.219 -4.555 -3.814 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.319 -5.103 -6.552 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.941 -2.694 -6.701 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.726 -1.057 -5.292 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.702 -2.160 -4.292 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.058 -2.392 -4.415 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.283 -1.870 -7.429 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.065 -3.206 -6.551 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.024 -3.551 -7.952 1.00 0.00 H new ATOM 559 N ASP A 37 0.906 -5.632 -5.502 1.00 0.00 N ATOM 560 CA ASP A 37 2.138 -6.070 -4.788 1.00 0.00 C ATOM 561 C ASP A 37 3.287 -5.120 -5.127 1.00 0.00 C ATOM 562 O ASP A 37 3.227 -4.373 -6.084 1.00 0.00 O ATOM 563 CB ASP A 37 2.503 -7.491 -5.226 1.00 0.00 C ATOM 564 CG ASP A 37 1.809 -8.502 -4.310 1.00 0.00 C ATOM 565 OD1 ASP A 37 2.063 -8.463 -3.118 1.00 0.00 O ATOM 566 OD2 ASP A 37 1.037 -9.298 -4.818 1.00 0.00 O ATOM 0 H ASP A 37 0.813 -5.975 -6.458 1.00 0.00 H new ATOM 0 HA ASP A 37 1.960 -6.056 -3.713 1.00 0.00 H new ATOM 0 HB2 ASP A 37 2.200 -7.653 -6.260 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.583 -7.629 -5.185 1.00 0.00 H new ATOM 571 N ILE A 38 4.336 -5.139 -4.351 1.00 0.00 N ATOM 572 CA ILE A 38 5.487 -4.235 -4.631 1.00 0.00 C ATOM 573 C ILE A 38 6.784 -5.047 -4.643 1.00 0.00 C ATOM 574 O ILE A 38 6.867 -6.109 -4.060 1.00 0.00 O ATOM 575 CB ILE A 38 5.567 -3.161 -3.546 1.00 0.00 C ATOM 576 CG1 ILE A 38 4.179 -2.558 -3.323 1.00 0.00 C ATOM 577 CG2 ILE A 38 6.535 -2.062 -3.986 1.00 0.00 C ATOM 578 CD1 ILE A 38 4.203 -1.663 -2.081 1.00 0.00 C ATOM 0 H ILE A 38 4.446 -5.741 -3.535 1.00 0.00 H new ATOM 0 HA ILE A 38 5.348 -3.760 -5.602 1.00 0.00 H new ATOM 0 HB ILE A 38 5.923 -3.608 -2.618 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.878 -1.978 -4.196 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.442 -3.351 -3.198 1.00 0.00 H new ATOM 0 HG21 ILE A 38 6.592 -1.296 -3.212 1.00 0.00 H new ATOM 0 HG22 ILE A 38 7.524 -2.491 -4.146 1.00 0.00 H new ATOM 0 HG23 ILE A 38 6.180 -1.614 -4.914 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.214 -1.234 -1.923 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.485 -2.256 -1.211 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.928 -0.861 -2.224 1.00 0.00 H new ATOM 590 N GLU A 39 7.797 -4.555 -5.303 1.00 0.00 N ATOM 591 CA GLU A 39 9.087 -5.299 -5.350 1.00 0.00 C ATOM 592 C GLU A 39 10.225 -4.376 -4.912 1.00 0.00 C ATOM 593 O GLU A 39 10.315 -3.240 -5.336 1.00 0.00 O ATOM 594 CB GLU A 39 9.345 -5.783 -6.779 1.00 0.00 C ATOM 595 CG GLU A 39 9.428 -7.310 -6.795 1.00 0.00 C ATOM 596 CD GLU A 39 10.874 -7.745 -6.549 1.00 0.00 C ATOM 597 OE1 GLU A 39 11.293 -7.724 -5.404 1.00 0.00 O ATOM 598 OE2 GLU A 39 11.540 -8.091 -7.513 1.00 0.00 O ATOM 0 H GLU A 39 7.787 -3.671 -5.811 1.00 0.00 H new ATOM 0 HA GLU A 39 9.036 -6.156 -4.679 1.00 0.00 H new ATOM 0 HB2 GLU A 39 8.546 -5.445 -7.438 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.273 -5.354 -7.157 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.776 -7.728 -6.028 1.00 0.00 H new ATOM 0 HG3 GLU A 39 9.080 -7.694 -7.754 1.00 0.00 H new ATOM 605 N THR A 40 11.096 -4.852 -4.065 1.00 0.00 N ATOM 606 CA THR A 40 12.227 -4.001 -3.601 1.00 0.00 C ATOM 607 C THR A 40 13.552 -4.715 -3.888 1.00 0.00 C ATOM 608 O THR A 40 13.607 -5.649 -4.664 1.00 0.00 O ATOM 609 CB THR A 40 12.085 -3.747 -2.094 1.00 0.00 C ATOM 610 OG1 THR A 40 12.908 -2.650 -1.720 1.00 0.00 O ATOM 611 CG2 THR A 40 12.506 -4.994 -1.314 1.00 0.00 C ATOM 0 H THR A 40 11.073 -5.794 -3.674 1.00 0.00 H new ATOM 0 HA THR A 40 12.213 -3.048 -4.129 1.00 0.00 H new ATOM 0 HB THR A 40 11.044 -3.517 -1.864 1.00 0.00 H new ATOM 0 HG1 THR A 40 13.122 -2.116 -2.513 1.00 0.00 H new ATOM 0 HG21 THR A 40 12.403 -4.807 -0.245 1.00 0.00 H new ATOM 0 HG22 THR A 40 11.871 -5.833 -1.598 1.00 0.00 H new ATOM 0 HG23 THR A 40 13.545 -5.232 -1.542 1.00 0.00 H new ATOM 619 N ASP A 41 14.620 -4.281 -3.273 1.00 0.00 N ATOM 620 CA ASP A 41 15.938 -4.930 -3.513 1.00 0.00 C ATOM 621 C ASP A 41 15.767 -6.450 -3.547 1.00 0.00 C ATOM 622 O ASP A 41 15.909 -7.077 -4.578 1.00 0.00 O ATOM 623 CB ASP A 41 16.904 -4.552 -2.388 1.00 0.00 C ATOM 624 CG ASP A 41 18.299 -5.096 -2.706 1.00 0.00 C ATOM 625 OD1 ASP A 41 18.577 -5.307 -3.876 1.00 0.00 O ATOM 626 OD2 ASP A 41 19.063 -5.292 -1.776 1.00 0.00 O ATOM 0 H ASP A 41 14.634 -3.503 -2.614 1.00 0.00 H new ATOM 0 HA ASP A 41 16.338 -4.591 -4.469 1.00 0.00 H new ATOM 0 HB2 ASP A 41 16.942 -3.468 -2.276 1.00 0.00 H new ATOM 0 HB3 ASP A 41 16.551 -4.958 -1.440 1.00 0.00 H new ATOM 631 N LYS A 42 15.463 -7.049 -2.428 1.00 0.00 N ATOM 632 CA LYS A 42 15.284 -8.527 -2.398 1.00 0.00 C ATOM 633 C LYS A 42 14.130 -8.883 -1.459 1.00 0.00 C ATOM 634 O LYS A 42 14.248 -9.748 -0.613 1.00 0.00 O ATOM 635 CB LYS A 42 16.570 -9.188 -1.899 1.00 0.00 C ATOM 636 CG LYS A 42 17.590 -9.246 -3.039 1.00 0.00 C ATOM 637 CD LYS A 42 19.001 -9.092 -2.470 1.00 0.00 C ATOM 638 CE LYS A 42 19.853 -10.293 -2.885 1.00 0.00 C ATOM 639 NZ LYS A 42 20.461 -10.033 -4.221 1.00 0.00 N ATOM 0 H LYS A 42 15.331 -6.578 -1.533 1.00 0.00 H new ATOM 0 HA LYS A 42 15.058 -8.885 -3.403 1.00 0.00 H new ATOM 0 HB2 LYS A 42 16.979 -8.625 -1.060 1.00 0.00 H new ATOM 0 HB3 LYS A 42 16.357 -10.193 -1.536 1.00 0.00 H new ATOM 0 HG2 LYS A 42 17.503 -10.193 -3.571 1.00 0.00 H new ATOM 0 HG3 LYS A 42 17.389 -8.455 -3.761 1.00 0.00 H new ATOM 0 HD2 LYS A 42 19.453 -8.169 -2.834 1.00 0.00 H new ATOM 0 HD3 LYS A 42 18.960 -9.020 -1.383 1.00 0.00 H new ATOM 0 HE2 LYS A 42 20.635 -10.471 -2.146 1.00 0.00 H new ATOM 0 HE3 LYS A 42 19.239 -11.193 -2.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 21.040 -10.849 -4.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 19.708 -9.884 -4.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 21.060 -9.184 -4.171 1.00 0.00 H new ATOM 653 N VAL A 43 13.013 -8.222 -1.600 1.00 0.00 N ATOM 654 CA VAL A 43 11.853 -8.522 -0.715 1.00 0.00 C ATOM 655 C VAL A 43 10.558 -8.101 -1.413 1.00 0.00 C ATOM 656 O VAL A 43 10.367 -6.947 -1.744 1.00 0.00 O ATOM 657 CB VAL A 43 12.000 -7.750 0.597 1.00 0.00 C ATOM 658 CG1 VAL A 43 10.728 -7.914 1.432 1.00 0.00 C ATOM 659 CG2 VAL A 43 13.195 -8.298 1.379 1.00 0.00 C ATOM 0 H VAL A 43 12.854 -7.488 -2.290 1.00 0.00 H new ATOM 0 HA VAL A 43 11.822 -9.591 -0.505 1.00 0.00 H new ATOM 0 HB VAL A 43 12.159 -6.694 0.380 1.00 0.00 H new ATOM 0 HG11 VAL A 43 10.833 -7.364 2.367 1.00 0.00 H new ATOM 0 HG12 VAL A 43 9.875 -7.525 0.876 1.00 0.00 H new ATOM 0 HG13 VAL A 43 10.569 -8.970 1.649 1.00 0.00 H new ATOM 0 HG21 VAL A 43 13.301 -7.748 2.314 1.00 0.00 H new ATOM 0 HG22 VAL A 43 13.035 -9.354 1.595 1.00 0.00 H new ATOM 0 HG23 VAL A 43 14.102 -8.182 0.786 1.00 0.00 H new ATOM 669 N VAL A 44 9.667 -9.026 -1.641 1.00 0.00 N ATOM 670 CA VAL A 44 8.387 -8.677 -2.318 1.00 0.00 C ATOM 671 C VAL A 44 7.343 -8.289 -1.269 1.00 0.00 C ATOM 672 O VAL A 44 6.972 -9.082 -0.427 1.00 0.00 O ATOM 673 CB VAL A 44 7.886 -9.882 -3.115 1.00 0.00 C ATOM 674 CG1 VAL A 44 6.531 -9.553 -3.743 1.00 0.00 C ATOM 675 CG2 VAL A 44 8.891 -10.216 -4.219 1.00 0.00 C ATOM 0 H VAL A 44 9.770 -10.009 -1.388 1.00 0.00 H new ATOM 0 HA VAL A 44 8.551 -7.838 -2.994 1.00 0.00 H new ATOM 0 HB VAL A 44 7.779 -10.738 -2.449 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.175 -10.413 -4.311 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.814 -9.315 -2.957 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.637 -8.697 -4.409 1.00 0.00 H new ATOM 0 HG21 VAL A 44 8.535 -11.075 -4.788 1.00 0.00 H new ATOM 0 HG22 VAL A 44 8.998 -9.359 -4.884 1.00 0.00 H new ATOM 0 HG23 VAL A 44 9.857 -10.452 -3.772 1.00 0.00 H new ATOM 685 N MET A 45 6.865 -7.075 -1.314 1.00 0.00 N ATOM 686 CA MET A 45 5.845 -6.639 -0.320 1.00 0.00 C ATOM 687 C MET A 45 4.448 -6.779 -0.929 1.00 0.00 C ATOM 688 O MET A 45 4.278 -7.343 -1.992 1.00 0.00 O ATOM 689 CB MET A 45 6.093 -5.178 0.058 1.00 0.00 C ATOM 690 CG MET A 45 7.383 -5.073 0.874 1.00 0.00 C ATOM 691 SD MET A 45 7.085 -4.058 2.343 1.00 0.00 S ATOM 692 CE MET A 45 6.609 -5.404 3.456 1.00 0.00 C ATOM 0 H MET A 45 7.137 -6.367 -1.996 1.00 0.00 H new ATOM 0 HA MET A 45 5.917 -7.262 0.572 1.00 0.00 H new ATOM 0 HB2 MET A 45 6.168 -4.567 -0.841 1.00 0.00 H new ATOM 0 HB3 MET A 45 5.253 -4.793 0.636 1.00 0.00 H new ATOM 0 HG2 MET A 45 7.722 -6.066 1.168 1.00 0.00 H new ATOM 0 HG3 MET A 45 8.175 -4.632 0.268 1.00 0.00 H new ATOM 0 HE1 MET A 45 6.377 -4.997 4.440 1.00 0.00 H new ATOM 0 HE2 MET A 45 5.731 -5.913 3.057 1.00 0.00 H new ATOM 0 HE3 MET A 45 7.432 -6.114 3.541 1.00 0.00 H new ATOM 702 N GLU A 46 3.448 -6.270 -0.265 1.00 0.00 N ATOM 703 CA GLU A 46 2.063 -6.375 -0.808 1.00 0.00 C ATOM 704 C GLU A 46 1.247 -5.160 -0.361 1.00 0.00 C ATOM 705 O GLU A 46 1.582 -4.492 0.596 1.00 0.00 O ATOM 706 CB GLU A 46 1.406 -7.652 -0.283 1.00 0.00 C ATOM 707 CG GLU A 46 1.679 -7.789 1.215 1.00 0.00 C ATOM 708 CD GLU A 46 1.452 -9.240 1.646 1.00 0.00 C ATOM 709 OE1 GLU A 46 2.124 -10.107 1.113 1.00 0.00 O ATOM 710 OE2 GLU A 46 0.611 -9.458 2.501 1.00 0.00 O ATOM 0 H GLU A 46 3.529 -5.786 0.629 1.00 0.00 H new ATOM 0 HA GLU A 46 2.100 -6.407 -1.897 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.332 -7.622 -0.466 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.796 -8.519 -0.815 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.703 -7.489 1.438 1.00 0.00 H new ATOM 0 HG3 GLU A 46 1.023 -7.125 1.777 1.00 0.00 H new ATOM 717 N VAL A 47 0.176 -4.869 -1.049 1.00 0.00 N ATOM 718 CA VAL A 47 -0.661 -3.698 -0.663 1.00 0.00 C ATOM 719 C VAL A 47 -2.129 -4.123 -0.589 1.00 0.00 C ATOM 720 O VAL A 47 -2.765 -4.370 -1.595 1.00 0.00 O ATOM 721 CB VAL A 47 -0.501 -2.591 -1.707 1.00 0.00 C ATOM 722 CG1 VAL A 47 -1.369 -1.393 -1.319 1.00 0.00 C ATOM 723 CG2 VAL A 47 0.965 -2.158 -1.770 1.00 0.00 C ATOM 0 H VAL A 47 -0.155 -5.391 -1.860 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.341 -3.327 0.311 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.813 -2.965 -2.682 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.255 -0.605 -2.063 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.414 -1.700 -1.274 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.058 -1.019 -0.344 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.080 -1.369 -2.514 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.276 -1.785 -0.794 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.585 -3.011 -2.047 1.00 0.00 H new ATOM 733 N LEU A 48 -2.672 -4.210 0.595 1.00 0.00 N ATOM 734 CA LEU A 48 -4.098 -4.618 0.732 1.00 0.00 C ATOM 735 C LEU A 48 -4.983 -3.372 0.792 1.00 0.00 C ATOM 736 O LEU A 48 -4.500 -2.259 0.864 1.00 0.00 O ATOM 737 CB LEU A 48 -4.273 -5.431 2.017 1.00 0.00 C ATOM 738 CG LEU A 48 -4.817 -6.818 1.675 1.00 0.00 C ATOM 739 CD1 LEU A 48 -3.659 -7.813 1.584 1.00 0.00 C ATOM 740 CD2 LEU A 48 -5.789 -7.268 2.767 1.00 0.00 C ATOM 0 H LEU A 48 -2.189 -4.016 1.472 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.386 -5.226 -0.126 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.318 -5.521 2.535 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.956 -4.918 2.694 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.337 -6.777 0.718 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.047 -8.802 1.340 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.965 -7.494 0.806 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.138 -7.854 2.541 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.177 -8.257 2.524 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.268 -7.308 3.724 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.615 -6.560 2.833 1.00 0.00 H new ATOM 752 N ALA A 49 -6.275 -3.549 0.763 1.00 0.00 N ATOM 753 CA ALA A 49 -7.190 -2.373 0.818 1.00 0.00 C ATOM 754 C ALA A 49 -7.250 -1.842 2.251 1.00 0.00 C ATOM 755 O ALA A 49 -7.353 -2.594 3.199 1.00 0.00 O ATOM 756 CB ALA A 49 -8.591 -2.796 0.372 1.00 0.00 C ATOM 0 H ALA A 49 -6.737 -4.456 0.704 1.00 0.00 H new ATOM 0 HA ALA A 49 -6.818 -1.591 0.155 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -9.260 -1.937 0.412 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.549 -3.176 -0.649 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -8.963 -3.577 1.035 1.00 0.00 H new ATOM 762 N GLU A 50 -7.185 -0.549 2.417 1.00 0.00 N ATOM 763 CA GLU A 50 -7.239 0.029 3.790 1.00 0.00 C ATOM 764 C GLU A 50 -8.676 0.442 4.115 1.00 0.00 C ATOM 765 O GLU A 50 -8.934 1.102 5.102 1.00 0.00 O ATOM 766 CB GLU A 50 -6.327 1.256 3.862 1.00 0.00 C ATOM 767 CG GLU A 50 -5.225 1.014 4.895 1.00 0.00 C ATOM 768 CD GLU A 50 -5.545 1.790 6.175 1.00 0.00 C ATOM 769 OE1 GLU A 50 -6.711 2.070 6.398 1.00 0.00 O ATOM 770 OE2 GLU A 50 -4.618 2.091 6.909 1.00 0.00 O ATOM 0 H GLU A 50 -7.097 0.131 1.662 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.904 -0.717 4.511 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.887 1.453 2.884 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -6.907 2.138 4.134 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.144 -0.051 5.113 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.262 1.332 4.496 1.00 0.00 H new ATOM 777 N ALA A 51 -9.613 0.060 3.292 1.00 0.00 N ATOM 778 CA ALA A 51 -11.032 0.431 3.556 1.00 0.00 C ATOM 779 C ALA A 51 -11.865 0.188 2.296 1.00 0.00 C ATOM 780 O ALA A 51 -11.428 0.443 1.191 1.00 0.00 O ATOM 781 CB ALA A 51 -11.109 1.910 3.940 1.00 0.00 C ATOM 0 H ALA A 51 -9.458 -0.493 2.449 1.00 0.00 H new ATOM 0 HA ALA A 51 -11.421 -0.178 4.372 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -12.147 2.182 4.133 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -10.515 2.084 4.837 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -10.720 2.519 3.124 1.00 0.00 H new ATOM 787 N ASP A 52 -13.064 -0.304 2.451 1.00 0.00 N ATOM 788 CA ASP A 52 -13.923 -0.563 1.262 1.00 0.00 C ATOM 789 C ASP A 52 -14.038 0.717 0.431 1.00 0.00 C ATOM 790 O ASP A 52 -13.619 1.781 0.843 1.00 0.00 O ATOM 791 CB ASP A 52 -15.311 -1.035 1.734 1.00 0.00 C ATOM 792 CG ASP A 52 -16.405 -0.618 0.744 1.00 0.00 C ATOM 793 OD1 ASP A 52 -16.680 0.568 0.660 1.00 0.00 O ATOM 794 OD2 ASP A 52 -16.948 -1.491 0.089 1.00 0.00 O ATOM 0 H ASP A 52 -13.485 -0.538 3.350 1.00 0.00 H new ATOM 0 HA ASP A 52 -13.481 -1.342 0.641 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -15.311 -2.119 1.844 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -15.526 -0.615 2.716 1.00 0.00 H new ATOM 799 N GLY A 53 -14.604 0.615 -0.736 1.00 0.00 N ATOM 800 CA GLY A 53 -14.753 1.817 -1.605 1.00 0.00 C ATOM 801 C GLY A 53 -14.478 1.432 -3.060 1.00 0.00 C ATOM 802 O GLY A 53 -14.628 0.292 -3.449 1.00 0.00 O ATOM 0 H GLY A 53 -14.972 -0.251 -1.129 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -15.759 2.225 -1.510 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -14.061 2.597 -1.287 1.00 0.00 H new ATOM 806 N VAL A 54 -14.075 2.376 -3.866 1.00 0.00 N ATOM 807 CA VAL A 54 -13.791 2.064 -5.295 1.00 0.00 C ATOM 808 C VAL A 54 -12.470 2.718 -5.707 1.00 0.00 C ATOM 809 O VAL A 54 -12.261 3.897 -5.504 1.00 0.00 O ATOM 810 CB VAL A 54 -14.922 2.606 -6.171 1.00 0.00 C ATOM 811 CG1 VAL A 54 -14.515 2.525 -7.642 1.00 0.00 C ATOM 812 CG2 VAL A 54 -16.184 1.769 -5.946 1.00 0.00 C ATOM 0 H VAL A 54 -13.930 3.349 -3.597 1.00 0.00 H new ATOM 0 HA VAL A 54 -13.718 0.984 -5.423 1.00 0.00 H new ATOM 0 HB VAL A 54 -15.119 3.645 -5.907 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -15.322 2.912 -8.265 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -13.615 3.119 -7.804 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -14.317 1.487 -7.908 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -16.991 2.153 -6.569 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -15.984 0.731 -6.211 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -16.476 1.826 -4.897 1.00 0.00 H new ATOM 822 N ILE A 55 -11.577 1.961 -6.284 1.00 0.00 N ATOM 823 CA ILE A 55 -10.272 2.539 -6.708 1.00 0.00 C ATOM 824 C ILE A 55 -10.518 3.720 -7.651 1.00 0.00 C ATOM 825 O ILE A 55 -11.572 3.843 -8.244 1.00 0.00 O ATOM 826 CB ILE A 55 -9.454 1.470 -7.432 1.00 0.00 C ATOM 827 CG1 ILE A 55 -9.287 0.253 -6.516 1.00 0.00 C ATOM 828 CG2 ILE A 55 -8.079 2.032 -7.794 1.00 0.00 C ATOM 829 CD1 ILE A 55 -8.282 0.578 -5.408 1.00 0.00 C ATOM 0 H ILE A 55 -11.696 0.967 -6.480 1.00 0.00 H new ATOM 0 HA ILE A 55 -9.725 2.884 -5.831 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.971 1.172 -8.344 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -10.248 -0.021 -6.080 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.942 -0.605 -7.093 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -7.498 1.268 -8.310 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -8.200 2.898 -8.445 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -7.558 2.332 -6.885 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.165 -0.289 -4.758 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.320 0.831 -5.853 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -8.645 1.423 -4.824 1.00 0.00 H new ATOM 841 N ALA A 56 -9.554 4.588 -7.793 1.00 0.00 N ATOM 842 CA ALA A 56 -9.734 5.759 -8.698 1.00 0.00 C ATOM 843 C ALA A 56 -9.051 5.480 -10.037 1.00 0.00 C ATOM 844 O ALA A 56 -9.693 5.372 -11.063 1.00 0.00 O ATOM 845 CB ALA A 56 -9.111 6.999 -8.055 1.00 0.00 C ATOM 0 H ALA A 56 -8.651 4.537 -7.322 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.798 5.931 -8.863 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -9.242 7.856 -8.716 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.599 7.198 -7.101 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -8.047 6.828 -7.889 1.00 0.00 H new ATOM 851 N GLU A 57 -7.750 5.361 -10.038 1.00 0.00 N ATOM 852 CA GLU A 57 -7.029 5.091 -11.312 1.00 0.00 C ATOM 853 C GLU A 57 -5.550 4.827 -11.017 1.00 0.00 C ATOM 854 O GLU A 57 -4.916 5.556 -10.281 1.00 0.00 O ATOM 855 CB GLU A 57 -7.156 6.303 -12.238 1.00 0.00 C ATOM 856 CG GLU A 57 -6.694 5.922 -13.646 1.00 0.00 C ATOM 857 CD GLU A 57 -7.531 6.676 -14.679 1.00 0.00 C ATOM 858 OE1 GLU A 57 -7.144 7.775 -15.039 1.00 0.00 O ATOM 859 OE2 GLU A 57 -8.546 6.141 -15.095 1.00 0.00 O ATOM 0 H GLU A 57 -7.157 5.439 -9.212 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.464 4.217 -11.796 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -8.190 6.647 -12.264 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.555 7.129 -11.858 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -5.638 6.163 -13.772 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.795 4.847 -13.795 1.00 0.00 H new ATOM 866 N ILE A 58 -4.997 3.791 -11.585 1.00 0.00 N ATOM 867 CA ILE A 58 -3.560 3.483 -11.337 1.00 0.00 C ATOM 868 C ILE A 58 -2.703 4.162 -12.407 1.00 0.00 C ATOM 869 O ILE A 58 -2.910 3.977 -13.591 1.00 0.00 O ATOM 870 CB ILE A 58 -3.344 1.970 -11.394 1.00 0.00 C ATOM 871 CG1 ILE A 58 -4.248 1.285 -10.366 1.00 0.00 C ATOM 872 CG2 ILE A 58 -1.882 1.651 -11.079 1.00 0.00 C ATOM 873 CD1 ILE A 58 -4.098 1.980 -9.011 1.00 0.00 C ATOM 0 H ILE A 58 -5.478 3.144 -12.210 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.274 3.852 -10.352 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.589 1.607 -12.392 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.286 1.326 -10.695 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.983 0.231 -10.278 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.728 0.573 -11.120 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.238 2.137 -11.811 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.637 2.015 -10.081 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.742 1.492 -8.279 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.061 1.916 -8.682 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.385 3.027 -9.106 1.00 0.00 H new ATOM 885 N VAL A 59 -1.740 4.944 -12.003 1.00 0.00 N ATOM 886 CA VAL A 59 -0.872 5.632 -12.999 1.00 0.00 C ATOM 887 C VAL A 59 0.331 4.746 -13.324 1.00 0.00 C ATOM 888 O VAL A 59 0.760 4.657 -14.458 1.00 0.00 O ATOM 889 CB VAL A 59 -0.384 6.960 -12.419 1.00 0.00 C ATOM 890 CG1 VAL A 59 0.356 7.749 -13.500 1.00 0.00 C ATOM 891 CG2 VAL A 59 -1.584 7.773 -11.928 1.00 0.00 C ATOM 0 H VAL A 59 -1.517 5.136 -11.026 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.442 5.820 -13.909 1.00 0.00 H new ATOM 0 HB VAL A 59 0.291 6.765 -11.585 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.704 8.696 -13.086 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.211 7.171 -13.852 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.318 7.944 -14.334 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.237 8.720 -11.514 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -2.258 7.967 -12.762 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.113 7.212 -11.157 1.00 0.00 H new ATOM 901 N LYS A 60 0.880 4.088 -12.340 1.00 0.00 N ATOM 902 CA LYS A 60 2.054 3.208 -12.595 1.00 0.00 C ATOM 903 C LYS A 60 1.577 1.769 -12.807 1.00 0.00 C ATOM 904 O LYS A 60 0.838 1.226 -12.009 1.00 0.00 O ATOM 905 CB LYS A 60 3.000 3.258 -11.393 1.00 0.00 C ATOM 906 CG LYS A 60 4.341 3.856 -11.824 1.00 0.00 C ATOM 907 CD LYS A 60 4.175 5.356 -12.075 1.00 0.00 C ATOM 908 CE LYS A 60 4.995 5.762 -13.300 1.00 0.00 C ATOM 909 NZ LYS A 60 4.126 6.506 -14.256 1.00 0.00 N ATOM 0 H LYS A 60 0.566 4.122 -11.370 1.00 0.00 H new ATOM 0 HA LYS A 60 2.579 3.553 -13.486 1.00 0.00 H new ATOM 0 HB2 LYS A 60 2.561 3.858 -10.596 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.149 2.256 -10.992 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.091 3.687 -11.052 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.697 3.363 -12.728 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.123 5.595 -12.233 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.502 5.920 -11.202 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.837 6.385 -12.997 1.00 0.00 H new ATOM 0 HE3 LYS A 60 5.410 4.877 -13.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 4.684 6.782 -15.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.337 5.897 -14.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.750 7.358 -13.793 1.00 0.00 H new ATOM 923 N ASN A 61 1.992 1.149 -13.877 1.00 0.00 N ATOM 924 CA ASN A 61 1.561 -0.253 -14.139 1.00 0.00 C ATOM 925 C ASN A 61 2.531 -1.220 -13.457 1.00 0.00 C ATOM 926 O ASN A 61 3.671 -0.891 -13.199 1.00 0.00 O ATOM 927 CB ASN A 61 1.559 -0.513 -15.647 1.00 0.00 C ATOM 928 CG ASN A 61 0.450 0.310 -16.306 1.00 0.00 C ATOM 929 OD1 ASN A 61 -0.719 0.058 -16.091 1.00 0.00 O ATOM 930 ND2 ASN A 61 0.770 1.292 -17.104 1.00 0.00 N ATOM 0 H ASN A 61 2.610 1.552 -14.581 1.00 0.00 H new ATOM 0 HA ASN A 61 0.557 -0.404 -13.743 1.00 0.00 H new ATOM 0 HB2 ASN A 61 2.526 -0.247 -16.074 1.00 0.00 H new ATOM 0 HB3 ASN A 61 1.405 -1.574 -15.844 1.00 0.00 H new ATOM 0 HD21 ASN A 61 0.039 1.848 -17.547 1.00 0.00 H new ATOM 0 HD22 ASN A 61 1.751 1.503 -17.284 1.00 0.00 H new ATOM 937 N GLU A 62 2.086 -2.411 -13.163 1.00 0.00 N ATOM 938 CA GLU A 62 2.982 -3.397 -12.497 1.00 0.00 C ATOM 939 C GLU A 62 4.132 -3.761 -13.440 1.00 0.00 C ATOM 940 O GLU A 62 3.957 -3.854 -14.639 1.00 0.00 O ATOM 941 CB GLU A 62 2.187 -4.658 -12.153 1.00 0.00 C ATOM 942 CG GLU A 62 1.326 -5.062 -13.352 1.00 0.00 C ATOM 943 CD GLU A 62 1.752 -6.445 -13.844 1.00 0.00 C ATOM 944 OE1 GLU A 62 2.894 -6.582 -14.253 1.00 0.00 O ATOM 945 OE2 GLU A 62 0.930 -7.346 -13.806 1.00 0.00 O ATOM 0 H GLU A 62 1.141 -2.743 -13.355 1.00 0.00 H new ATOM 0 HA GLU A 62 3.386 -2.961 -11.583 1.00 0.00 H new ATOM 0 HB2 GLU A 62 2.867 -5.469 -11.890 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.556 -4.477 -11.283 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.273 -5.073 -13.070 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.433 -4.331 -14.153 1.00 0.00 H new ATOM 952 N GLY A 63 5.306 -3.965 -12.909 1.00 0.00 N ATOM 953 CA GLY A 63 6.464 -4.322 -13.776 1.00 0.00 C ATOM 954 C GLY A 63 7.278 -3.064 -14.085 1.00 0.00 C ATOM 955 O GLY A 63 8.394 -3.137 -14.561 1.00 0.00 O ATOM 0 H GLY A 63 5.513 -3.900 -11.912 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.091 -5.060 -13.277 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.112 -4.777 -14.702 1.00 0.00 H new ATOM 959 N ASP A 64 6.730 -1.911 -13.817 1.00 0.00 N ATOM 960 CA ASP A 64 7.474 -0.650 -14.095 1.00 0.00 C ATOM 961 C ASP A 64 8.244 -0.230 -12.841 1.00 0.00 C ATOM 962 O ASP A 64 8.076 -0.788 -11.775 1.00 0.00 O ATOM 963 CB ASP A 64 6.474 0.444 -14.515 1.00 0.00 C ATOM 964 CG ASP A 64 6.971 1.836 -14.104 1.00 0.00 C ATOM 965 OD1 ASP A 64 7.740 2.414 -14.854 1.00 0.00 O ATOM 966 OD2 ASP A 64 6.572 2.297 -13.048 1.00 0.00 O ATOM 0 H ASP A 64 5.800 -1.787 -13.418 1.00 0.00 H new ATOM 0 HA ASP A 64 8.187 -0.803 -14.905 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.327 0.411 -15.595 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.505 0.250 -14.055 1.00 0.00 H new ATOM 971 N THR A 65 9.090 0.751 -12.969 1.00 0.00 N ATOM 972 CA THR A 65 9.879 1.219 -11.795 1.00 0.00 C ATOM 973 C THR A 65 9.208 2.452 -11.187 1.00 0.00 C ATOM 974 O THR A 65 8.728 3.319 -11.890 1.00 0.00 O ATOM 975 CB THR A 65 11.298 1.580 -12.244 1.00 0.00 C ATOM 976 OG1 THR A 65 11.995 0.395 -12.602 1.00 0.00 O ATOM 977 CG2 THR A 65 12.033 2.283 -11.103 1.00 0.00 C ATOM 0 H THR A 65 9.271 1.252 -13.839 1.00 0.00 H new ATOM 0 HA THR A 65 9.924 0.425 -11.049 1.00 0.00 H new ATOM 0 HB THR A 65 11.249 2.247 -13.105 1.00 0.00 H new ATOM 0 HG1 THR A 65 12.903 0.624 -12.891 1.00 0.00 H new ATOM 0 HG21 THR A 65 13.043 2.539 -11.424 1.00 0.00 H new ATOM 0 HG22 THR A 65 11.497 3.192 -10.831 1.00 0.00 H new ATOM 0 HG23 THR A 65 12.084 1.619 -10.240 1.00 0.00 H new ATOM 985 N VAL A 66 9.169 2.536 -9.886 1.00 0.00 N ATOM 986 CA VAL A 66 8.527 3.714 -9.235 1.00 0.00 C ATOM 987 C VAL A 66 9.587 4.515 -8.475 1.00 0.00 C ATOM 988 O VAL A 66 10.770 4.378 -8.711 1.00 0.00 O ATOM 989 CB VAL A 66 7.454 3.234 -8.257 1.00 0.00 C ATOM 990 CG1 VAL A 66 6.535 2.232 -8.959 1.00 0.00 C ATOM 991 CG2 VAL A 66 8.122 2.557 -7.059 1.00 0.00 C ATOM 0 H VAL A 66 9.553 1.841 -9.246 1.00 0.00 H new ATOM 0 HA VAL A 66 8.069 4.346 -9.996 1.00 0.00 H new ATOM 0 HB VAL A 66 6.868 4.087 -7.914 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.770 1.890 -8.262 1.00 0.00 H new ATOM 0 HG12 VAL A 66 6.058 2.712 -9.814 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.121 1.379 -9.302 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.357 2.215 -6.362 1.00 0.00 H new ATOM 0 HG22 VAL A 66 8.708 1.704 -7.403 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.778 3.269 -6.558 1.00 0.00 H new ATOM 1001 N LEU A 67 9.170 5.353 -7.565 1.00 0.00 N ATOM 1002 CA LEU A 67 10.153 6.163 -6.792 1.00 0.00 C ATOM 1003 C LEU A 67 9.629 6.382 -5.371 1.00 0.00 C ATOM 1004 O LEU A 67 8.495 6.073 -5.063 1.00 0.00 O ATOM 1005 CB LEU A 67 10.351 7.516 -7.478 1.00 0.00 C ATOM 1006 CG LEU A 67 11.618 7.475 -8.334 1.00 0.00 C ATOM 1007 CD1 LEU A 67 11.331 8.098 -9.701 1.00 0.00 C ATOM 1008 CD2 LEU A 67 12.728 8.265 -7.637 1.00 0.00 C ATOM 0 H LEU A 67 8.192 5.511 -7.324 1.00 0.00 H new ATOM 0 HA LEU A 67 11.106 5.635 -6.750 1.00 0.00 H new ATOM 0 HB2 LEU A 67 9.487 7.750 -8.100 1.00 0.00 H new ATOM 0 HB3 LEU A 67 10.430 8.306 -6.731 1.00 0.00 H new ATOM 0 HG LEU A 67 11.934 6.440 -8.466 1.00 0.00 H new ATOM 0 HD11 LEU A 67 12.234 8.069 -10.311 1.00 0.00 H new ATOM 0 HD12 LEU A 67 10.539 7.537 -10.198 1.00 0.00 H new ATOM 0 HD13 LEU A 67 11.015 9.133 -9.570 1.00 0.00 H new ATOM 0 HD21 LEU A 67 13.632 8.237 -8.246 1.00 0.00 H new ATOM 0 HD22 LEU A 67 12.411 9.300 -7.506 1.00 0.00 H new ATOM 0 HD23 LEU A 67 12.933 7.822 -6.662 1.00 0.00 H new ATOM 1020 N SER A 68 10.445 6.915 -4.503 1.00 0.00 N ATOM 1021 CA SER A 68 9.992 7.153 -3.104 1.00 0.00 C ATOM 1022 C SER A 68 8.943 8.265 -3.090 1.00 0.00 C ATOM 1023 O SER A 68 9.257 9.431 -3.230 1.00 0.00 O ATOM 1024 CB SER A 68 11.188 7.569 -2.245 1.00 0.00 C ATOM 1025 OG SER A 68 10.718 8.207 -1.066 1.00 0.00 O ATOM 0 H SER A 68 11.405 7.196 -4.702 1.00 0.00 H new ATOM 0 HA SER A 68 9.557 6.238 -2.702 1.00 0.00 H new ATOM 0 HB2 SER A 68 11.786 6.695 -1.986 1.00 0.00 H new ATOM 0 HB3 SER A 68 11.835 8.244 -2.805 1.00 0.00 H new ATOM 0 HG SER A 68 11.481 8.474 -0.512 1.00 0.00 H new ATOM 1031 N GLY A 69 7.696 7.916 -2.923 1.00 0.00 N ATOM 1032 CA GLY A 69 6.628 8.955 -2.900 1.00 0.00 C ATOM 1033 C GLY A 69 5.894 8.963 -4.243 1.00 0.00 C ATOM 1034 O GLY A 69 5.116 9.850 -4.530 1.00 0.00 O ATOM 0 H GLY A 69 7.371 6.957 -2.802 1.00 0.00 H new ATOM 0 HA2 GLY A 69 5.926 8.752 -2.091 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.064 9.935 -2.706 1.00 0.00 H new ATOM 1038 N GLU A 70 6.137 7.982 -5.068 1.00 0.00 N ATOM 1039 CA GLU A 70 5.453 7.935 -6.392 1.00 0.00 C ATOM 1040 C GLU A 70 3.981 7.569 -6.191 1.00 0.00 C ATOM 1041 O GLU A 70 3.657 6.568 -5.585 1.00 0.00 O ATOM 1042 CB GLU A 70 6.124 6.883 -7.276 1.00 0.00 C ATOM 1043 CG GLU A 70 5.537 6.951 -8.687 1.00 0.00 C ATOM 1044 CD GLU A 70 6.077 8.189 -9.406 1.00 0.00 C ATOM 1045 OE1 GLU A 70 7.218 8.543 -9.158 1.00 0.00 O ATOM 1046 OE2 GLU A 70 5.341 8.762 -10.192 1.00 0.00 O ATOM 0 H GLU A 70 6.779 7.211 -4.883 1.00 0.00 H new ATOM 0 HA GLU A 70 5.523 8.911 -6.873 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.200 7.054 -7.310 1.00 0.00 H new ATOM 0 HB3 GLU A 70 5.972 5.889 -6.855 1.00 0.00 H new ATOM 0 HG2 GLU A 70 5.798 6.051 -9.244 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.449 6.992 -8.638 1.00 0.00 H new ATOM 1053 N LEU A 71 3.085 8.374 -6.698 1.00 0.00 N ATOM 1054 CA LEU A 71 1.635 8.071 -6.536 1.00 0.00 C ATOM 1055 C LEU A 71 1.247 6.924 -7.471 1.00 0.00 C ATOM 1056 O LEU A 71 1.404 7.009 -8.674 1.00 0.00 O ATOM 1057 CB LEU A 71 0.813 9.313 -6.885 1.00 0.00 C ATOM 1058 CG LEU A 71 -0.675 9.004 -6.717 1.00 0.00 C ATOM 1059 CD1 LEU A 71 -1.294 9.994 -5.729 1.00 0.00 C ATOM 1060 CD2 LEU A 71 -1.376 9.132 -8.071 1.00 0.00 C ATOM 0 H LEU A 71 3.295 9.227 -7.216 1.00 0.00 H new ATOM 0 HA LEU A 71 1.437 7.782 -5.504 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.098 10.144 -6.239 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.018 9.621 -7.910 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.795 7.989 -6.338 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.355 9.774 -5.609 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.794 9.906 -4.764 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.175 11.009 -6.108 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.437 8.912 -7.954 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.255 10.147 -8.449 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.935 8.428 -8.777 1.00 0.00 H new ATOM 1072 N LEU A 72 0.741 5.850 -6.929 1.00 0.00 N ATOM 1073 CA LEU A 72 0.343 4.700 -7.789 1.00 0.00 C ATOM 1074 C LEU A 72 -1.154 4.786 -8.096 1.00 0.00 C ATOM 1075 O LEU A 72 -1.630 4.234 -9.068 1.00 0.00 O ATOM 1076 CB LEU A 72 0.638 3.389 -7.055 1.00 0.00 C ATOM 1077 CG LEU A 72 1.965 3.511 -6.306 1.00 0.00 C ATOM 1078 CD1 LEU A 72 2.126 2.325 -5.354 1.00 0.00 C ATOM 1079 CD2 LEU A 72 3.119 3.515 -7.312 1.00 0.00 C ATOM 0 H LEU A 72 0.586 5.719 -5.929 1.00 0.00 H new ATOM 0 HA LEU A 72 0.907 4.731 -8.721 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.167 3.162 -6.356 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.684 2.564 -7.766 1.00 0.00 H new ATOM 0 HG LEU A 72 1.975 4.439 -5.735 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.072 2.413 -4.820 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.305 2.319 -4.638 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.116 1.396 -5.925 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.066 3.602 -6.779 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.108 2.586 -7.882 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.006 4.360 -7.992 1.00 0.00 H new ATOM 1091 N GLY A 73 -1.898 5.476 -7.276 1.00 0.00 N ATOM 1092 CA GLY A 73 -3.363 5.597 -7.522 1.00 0.00 C ATOM 1093 C GLY A 73 -4.040 6.196 -6.288 1.00 0.00 C ATOM 1094 O GLY A 73 -3.417 6.407 -5.267 1.00 0.00 O ATOM 0 H GLY A 73 -1.555 5.961 -6.447 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -3.546 6.228 -8.392 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.787 4.618 -7.743 1.00 0.00 H new ATOM 1098 N LYS A 74 -5.313 6.471 -6.373 1.00 0.00 N ATOM 1099 CA LYS A 74 -6.029 7.055 -5.205 1.00 0.00 C ATOM 1100 C LYS A 74 -7.270 6.215 -4.894 1.00 0.00 C ATOM 1101 O LYS A 74 -8.006 5.829 -5.779 1.00 0.00 O ATOM 1102 CB LYS A 74 -6.454 8.490 -5.532 1.00 0.00 C ATOM 1103 CG LYS A 74 -5.552 9.472 -4.781 1.00 0.00 C ATOM 1104 CD LYS A 74 -5.829 10.895 -5.272 1.00 0.00 C ATOM 1105 CE LYS A 74 -5.053 11.148 -6.566 1.00 0.00 C ATOM 1106 NZ LYS A 74 -4.179 12.343 -6.396 1.00 0.00 N ATOM 0 H LYS A 74 -5.888 6.316 -7.201 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.367 7.060 -4.339 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.386 8.665 -6.606 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -7.495 8.646 -5.249 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -5.735 9.404 -3.709 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -4.505 9.217 -4.943 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -6.897 11.031 -5.443 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -5.534 11.618 -4.511 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -4.450 10.276 -6.817 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -5.745 11.305 -7.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -3.651 12.515 -7.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -4.765 13.173 -6.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -3.510 12.176 -5.618 1.00 0.00 H new ATOM 1120 N LEU A 75 -7.506 5.931 -3.642 1.00 0.00 N ATOM 1121 CA LEU A 75 -8.698 5.115 -3.276 1.00 0.00 C ATOM 1122 C LEU A 75 -9.890 6.041 -3.025 1.00 0.00 C ATOM 1123 O LEU A 75 -9.762 7.080 -2.409 1.00 0.00 O ATOM 1124 CB LEU A 75 -8.398 4.314 -2.008 1.00 0.00 C ATOM 1125 CG LEU A 75 -9.539 3.331 -1.743 1.00 0.00 C ATOM 1126 CD1 LEU A 75 -9.001 1.899 -1.786 1.00 0.00 C ATOM 1127 CD2 LEU A 75 -10.139 3.608 -0.363 1.00 0.00 C ATOM 0 H LEU A 75 -6.926 6.228 -2.858 1.00 0.00 H new ATOM 0 HA LEU A 75 -8.934 4.430 -4.090 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -7.458 3.774 -2.120 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.280 4.988 -1.159 1.00 0.00 H new ATOM 0 HG LEU A 75 -10.308 3.453 -2.506 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -9.815 1.199 -1.597 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.572 1.701 -2.768 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -8.232 1.776 -1.023 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -10.953 2.908 -0.173 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -9.370 3.486 0.399 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -10.523 4.628 -0.331 1.00 0.00 H new ATOM 1139 N THR A 76 -11.050 5.671 -3.496 1.00 0.00 N ATOM 1140 CA THR A 76 -12.248 6.530 -3.283 1.00 0.00 C ATOM 1141 C THR A 76 -13.033 6.020 -2.072 1.00 0.00 C ATOM 1142 O THR A 76 -12.752 4.966 -1.538 1.00 0.00 O ATOM 1143 CB THR A 76 -13.139 6.480 -4.526 1.00 0.00 C ATOM 1144 OG1 THR A 76 -12.337 6.647 -5.688 1.00 0.00 O ATOM 1145 CG2 THR A 76 -14.179 7.599 -4.457 1.00 0.00 C ATOM 0 H THR A 76 -11.219 4.812 -4.019 1.00 0.00 H new ATOM 0 HA THR A 76 -11.931 7.557 -3.104 1.00 0.00 H new ATOM 0 HB THR A 76 -13.648 5.517 -4.570 1.00 0.00 H new ATOM 0 HG1 THR A 76 -12.043 5.770 -6.011 1.00 0.00 H new ATOM 0 HG21 THR A 76 -14.813 7.562 -5.343 1.00 0.00 H new ATOM 0 HG22 THR A 76 -14.793 7.470 -3.566 1.00 0.00 H new ATOM 0 HG23 THR A 76 -13.673 8.564 -4.413 1.00 0.00 H new ATOM 1153 N GLU A 77 -14.016 6.759 -1.637 1.00 0.00 N ATOM 1154 CA GLU A 77 -14.817 6.316 -0.462 1.00 0.00 C ATOM 1155 C GLU A 77 -15.927 5.371 -0.928 1.00 0.00 C ATOM 1156 O GLU A 77 -15.943 4.203 -0.591 1.00 0.00 O ATOM 1157 CB GLU A 77 -15.440 7.535 0.220 1.00 0.00 C ATOM 1158 CG GLU A 77 -14.345 8.552 0.549 1.00 0.00 C ATOM 1159 CD GLU A 77 -14.349 9.664 -0.501 1.00 0.00 C ATOM 1160 OE1 GLU A 77 -15.421 10.162 -0.804 1.00 0.00 O ATOM 1161 OE2 GLU A 77 -13.281 10.001 -0.984 1.00 0.00 O ATOM 0 H GLU A 77 -14.299 7.650 -2.044 1.00 0.00 H new ATOM 0 HA GLU A 77 -14.169 5.796 0.244 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -16.187 7.987 -0.432 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -15.955 7.231 1.132 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -14.511 8.973 1.541 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -13.372 8.061 0.570 1.00 0.00 H new ATOM 1168 N GLY A 78 -16.854 5.865 -1.702 1.00 0.00 N ATOM 1169 CA GLY A 78 -17.961 4.994 -2.189 1.00 0.00 C ATOM 1170 C GLY A 78 -19.304 5.674 -1.919 1.00 0.00 C ATOM 1171 O GLY A 78 -19.669 5.921 -0.786 1.00 0.00 O ATOM 0 H GLY A 78 -16.893 6.834 -2.018 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -17.846 4.804 -3.256 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -17.924 4.027 -1.688 1.00 0.00 H new ATOM 1175 N GLY A 79 -20.043 5.979 -2.949 1.00 0.00 N ATOM 1176 CA GLY A 79 -21.362 6.644 -2.750 1.00 0.00 C ATOM 1177 C GLY A 79 -21.154 8.145 -2.543 1.00 0.00 C ATOM 1178 O GLY A 79 -22.001 8.906 -2.981 1.00 0.00 O ATOM 0 H GLY A 79 -19.791 5.797 -3.920 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -22.002 6.471 -3.615 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -21.871 6.215 -1.887 1.00 0.00 H new TER 1182 GLY A 79