USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 577 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 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc=-0.00658 USER MOD Single : A 20 THR OG1 : rot -12:sc= 0.879 USER MOD Single : A 22 HIS : no HD1:sc= -10.4! C(o=-10!,f=-15!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -143:sc= -0.199 (180deg=-1.22!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 95:sc= 0.822 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= -0.0866 X(o=-0.087,f=0) USER MOD Single : A 65 THR OG1 : rot 21:sc= 0.267 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 102:sc= 1.18 USER MOD ----------------------------------------------------------------- ATOM 13 N ILE A 2 -7.871 6.984 0.870 1.00 0.00 N ATOM 14 CA ILE A 2 -6.582 6.276 1.106 1.00 0.00 C ATOM 15 C ILE A 2 -5.630 6.546 -0.062 1.00 0.00 C ATOM 16 O ILE A 2 -5.756 5.969 -1.124 1.00 0.00 O ATOM 17 CB ILE A 2 -6.839 4.773 1.217 1.00 0.00 C ATOM 18 CG1 ILE A 2 -7.941 4.520 2.249 1.00 0.00 C ATOM 19 CG2 ILE A 2 -5.557 4.066 1.659 1.00 0.00 C ATOM 20 CD1 ILE A 2 -8.349 3.046 2.209 1.00 0.00 C ATOM 0 HA ILE A 2 -6.133 6.637 2.031 1.00 0.00 H new ATOM 0 HB ILE A 2 -7.151 4.386 0.247 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -7.588 4.784 3.246 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -8.803 5.153 2.039 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -5.741 2.995 1.738 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -4.771 4.246 0.926 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -5.244 4.453 2.629 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -9.134 2.866 2.944 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -8.719 2.798 1.214 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -7.485 2.423 2.440 1.00 0.00 H new ATOM 32 N ASP A 3 -4.679 7.419 0.124 1.00 0.00 N ATOM 33 CA ASP A 3 -3.722 7.726 -0.975 1.00 0.00 C ATOM 34 C ASP A 3 -2.718 6.579 -1.111 1.00 0.00 C ATOM 35 O ASP A 3 -1.973 6.283 -0.199 1.00 0.00 O ATOM 36 CB ASP A 3 -2.975 9.023 -0.655 1.00 0.00 C ATOM 37 CG ASP A 3 -1.853 9.230 -1.673 1.00 0.00 C ATOM 38 OD1 ASP A 3 -2.096 9.004 -2.848 1.00 0.00 O ATOM 39 OD2 ASP A 3 -0.769 9.611 -1.263 1.00 0.00 O ATOM 0 H ASP A 3 -4.523 7.934 0.991 1.00 0.00 H new ATOM 0 HA ASP A 3 -4.269 7.844 -1.911 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -3.664 9.867 -0.680 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -2.562 8.978 0.353 1.00 0.00 H new ATOM 44 N ILE A 4 -2.691 5.933 -2.245 1.00 0.00 N ATOM 45 CA ILE A 4 -1.735 4.808 -2.439 1.00 0.00 C ATOM 46 C ILE A 4 -0.479 5.321 -3.147 1.00 0.00 C ATOM 47 O ILE A 4 -0.454 5.472 -4.352 1.00 0.00 O ATOM 48 CB ILE A 4 -2.393 3.720 -3.290 1.00 0.00 C ATOM 49 CG1 ILE A 4 -3.863 3.581 -2.891 1.00 0.00 C ATOM 50 CG2 ILE A 4 -1.675 2.389 -3.061 1.00 0.00 C ATOM 51 CD1 ILE A 4 -4.449 2.320 -3.528 1.00 0.00 C ATOM 0 H ILE A 4 -3.290 6.136 -3.045 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.461 4.394 -1.469 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.326 3.992 -4.343 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.953 3.528 -1.806 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.423 4.458 -3.215 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -2.144 1.614 -3.667 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.627 2.487 -3.344 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.742 2.116 -2.008 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.497 2.222 -3.243 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.373 2.392 -4.613 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.896 1.447 -3.182 1.00 0.00 H new ATOM 63 N LYS A 5 0.561 5.592 -2.409 1.00 0.00 N ATOM 64 CA LYS A 5 1.813 6.096 -3.041 1.00 0.00 C ATOM 65 C LYS A 5 2.953 5.111 -2.772 1.00 0.00 C ATOM 66 O LYS A 5 2.861 4.261 -1.908 1.00 0.00 O ATOM 67 CB LYS A 5 2.169 7.461 -2.449 1.00 0.00 C ATOM 68 CG LYS A 5 2.948 8.278 -3.482 1.00 0.00 C ATOM 69 CD LYS A 5 2.449 9.725 -3.470 1.00 0.00 C ATOM 70 CE LYS A 5 3.041 10.459 -2.264 1.00 0.00 C ATOM 71 NZ LYS A 5 2.620 11.888 -2.298 1.00 0.00 N ATOM 0 H LYS A 5 0.599 5.486 -1.395 1.00 0.00 H new ATOM 0 HA LYS A 5 1.663 6.194 -4.116 1.00 0.00 H new ATOM 0 HB2 LYS A 5 1.262 7.991 -2.159 1.00 0.00 H new ATOM 0 HB3 LYS A 5 2.766 7.333 -1.546 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.014 8.248 -3.256 1.00 0.00 H new ATOM 0 HG3 LYS A 5 2.820 7.846 -4.475 1.00 0.00 H new ATOM 0 HD2 LYS A 5 2.737 10.228 -4.393 1.00 0.00 H new ATOM 0 HD3 LYS A 5 1.360 9.745 -3.423 1.00 0.00 H new ATOM 0 HE2 LYS A 5 2.704 9.991 -1.339 1.00 0.00 H new ATOM 0 HE3 LYS A 5 4.129 10.388 -2.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 3.022 12.388 -1.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 2.962 12.330 -3.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 1.582 11.945 -2.263 1.00 0.00 H new ATOM 85 N ALA A 6 4.027 5.218 -3.505 1.00 0.00 N ATOM 86 CA ALA A 6 5.171 4.288 -3.291 1.00 0.00 C ATOM 87 C ALA A 6 5.774 4.531 -1.903 1.00 0.00 C ATOM 88 O ALA A 6 5.564 5.570 -1.312 1.00 0.00 O ATOM 89 CB ALA A 6 6.237 4.536 -4.360 1.00 0.00 C ATOM 0 H ALA A 6 4.162 5.909 -4.243 1.00 0.00 H new ATOM 0 HA ALA A 6 4.820 3.258 -3.360 1.00 0.00 H new ATOM 0 HB1 ALA A 6 7.074 3.856 -4.204 1.00 0.00 H new ATOM 0 HB2 ALA A 6 5.809 4.364 -5.348 1.00 0.00 H new ATOM 0 HB3 ALA A 6 6.588 5.566 -4.291 1.00 0.00 H new ATOM 95 N PRO A 7 6.507 3.556 -1.427 1.00 0.00 N ATOM 96 CA PRO A 7 7.159 3.624 -0.108 1.00 0.00 C ATOM 97 C PRO A 7 8.423 4.487 -0.181 1.00 0.00 C ATOM 98 O PRO A 7 9.264 4.300 -1.038 1.00 0.00 O ATOM 99 CB PRO A 7 7.511 2.165 0.194 1.00 0.00 C ATOM 100 CG PRO A 7 7.562 1.437 -1.171 1.00 0.00 C ATOM 101 CD PRO A 7 6.751 2.296 -2.159 1.00 0.00 C ATOM 0 HA PRO A 7 6.529 4.073 0.660 1.00 0.00 H new ATOM 0 HB2 PRO A 7 8.470 2.095 0.708 1.00 0.00 H new ATOM 0 HB3 PRO A 7 6.765 1.713 0.848 1.00 0.00 H new ATOM 0 HG2 PRO A 7 8.591 1.323 -1.511 1.00 0.00 H new ATOM 0 HG3 PRO A 7 7.140 0.435 -1.092 1.00 0.00 H new ATOM 0 HD2 PRO A 7 7.305 2.472 -3.081 1.00 0.00 H new ATOM 0 HD3 PRO A 7 5.816 1.809 -2.436 1.00 0.00 H new ATOM 109 N THR A 8 8.563 5.429 0.710 1.00 0.00 N ATOM 110 CA THR A 8 9.771 6.300 0.690 1.00 0.00 C ATOM 111 C THR A 8 11.028 5.430 0.772 1.00 0.00 C ATOM 112 O THR A 8 11.298 4.809 1.781 1.00 0.00 O ATOM 113 CB THR A 8 9.732 7.254 1.887 1.00 0.00 C ATOM 114 OG1 THR A 8 10.904 8.057 1.888 1.00 0.00 O ATOM 115 CG2 THR A 8 9.665 6.446 3.184 1.00 0.00 C ATOM 0 H THR A 8 7.893 5.633 1.451 1.00 0.00 H new ATOM 0 HA THR A 8 9.788 6.877 -0.234 1.00 0.00 H new ATOM 0 HB THR A 8 8.852 7.893 1.814 1.00 0.00 H new ATOM 0 HG1 THR A 8 10.880 8.669 2.653 1.00 0.00 H new ATOM 0 HG21 THR A 8 9.637 7.126 4.035 1.00 0.00 H new ATOM 0 HG22 THR A 8 8.766 5.830 3.183 1.00 0.00 H new ATOM 0 HG23 THR A 8 10.544 5.806 3.260 1.00 0.00 H new ATOM 123 N PHE A 9 11.796 5.380 -0.281 1.00 0.00 N ATOM 124 CA PHE A 9 13.033 4.549 -0.260 1.00 0.00 C ATOM 125 C PHE A 9 14.101 5.248 0.594 1.00 0.00 C ATOM 126 O PHE A 9 14.412 6.399 0.363 1.00 0.00 O ATOM 127 CB PHE A 9 13.555 4.381 -1.689 1.00 0.00 C ATOM 128 CG PHE A 9 12.422 3.959 -2.592 1.00 0.00 C ATOM 129 CD1 PHE A 9 11.674 2.812 -2.290 1.00 0.00 C ATOM 130 CD2 PHE A 9 12.118 4.711 -3.734 1.00 0.00 C ATOM 131 CE1 PHE A 9 10.623 2.420 -3.128 1.00 0.00 C ATOM 132 CE2 PHE A 9 11.066 4.319 -4.573 1.00 0.00 C ATOM 133 CZ PHE A 9 10.318 3.173 -4.270 1.00 0.00 C ATOM 0 H PHE A 9 11.621 5.878 -1.154 1.00 0.00 H new ATOM 0 HA PHE A 9 12.809 3.570 0.164 1.00 0.00 H new ATOM 0 HB2 PHE A 9 13.986 5.318 -2.042 1.00 0.00 H new ATOM 0 HB3 PHE A 9 14.350 3.635 -1.712 1.00 0.00 H new ATOM 0 HD1 PHE A 9 11.909 2.231 -1.411 1.00 0.00 H new ATOM 0 HD2 PHE A 9 12.695 5.594 -3.968 1.00 0.00 H new ATOM 0 HE1 PHE A 9 10.047 1.537 -2.894 1.00 0.00 H new ATOM 0 HE2 PHE A 9 10.832 4.900 -5.453 1.00 0.00 H new ATOM 0 HZ PHE A 9 9.507 2.870 -4.916 1.00 0.00 H new ATOM 143 N PRO A 10 14.632 4.533 1.555 1.00 0.00 N ATOM 144 CA PRO A 10 15.669 5.067 2.456 1.00 0.00 C ATOM 145 C PRO A 10 17.032 5.066 1.760 1.00 0.00 C ATOM 146 O PRO A 10 17.123 5.023 0.549 1.00 0.00 O ATOM 147 CB PRO A 10 15.657 4.092 3.636 1.00 0.00 C ATOM 148 CG PRO A 10 15.049 2.772 3.105 1.00 0.00 C ATOM 149 CD PRO A 10 14.253 3.133 1.837 1.00 0.00 C ATOM 0 HA PRO A 10 15.484 6.097 2.760 1.00 0.00 H new ATOM 0 HB2 PRO A 10 16.666 3.930 4.016 1.00 0.00 H new ATOM 0 HB3 PRO A 10 15.065 4.488 4.461 1.00 0.00 H new ATOM 0 HG2 PRO A 10 15.832 2.048 2.878 1.00 0.00 H new ATOM 0 HG3 PRO A 10 14.400 2.316 3.853 1.00 0.00 H new ATOM 0 HD2 PRO A 10 14.509 2.476 1.006 1.00 0.00 H new ATOM 0 HD3 PRO A 10 13.180 3.036 2.000 1.00 0.00 H new ATOM 157 N GLU A 11 18.095 5.110 2.516 1.00 0.00 N ATOM 158 CA GLU A 11 19.450 5.110 1.897 1.00 0.00 C ATOM 159 C GLU A 11 19.763 3.712 1.359 1.00 0.00 C ATOM 160 O GLU A 11 20.082 3.541 0.199 1.00 0.00 O ATOM 161 CB GLU A 11 20.492 5.495 2.949 1.00 0.00 C ATOM 162 CG GLU A 11 20.165 6.882 3.509 1.00 0.00 C ATOM 163 CD GLU A 11 21.294 7.853 3.159 1.00 0.00 C ATOM 164 OE1 GLU A 11 22.443 7.484 3.340 1.00 0.00 O ATOM 165 OE2 GLU A 11 20.992 8.948 2.718 1.00 0.00 O ATOM 0 H GLU A 11 18.083 5.146 3.535 1.00 0.00 H new ATOM 0 HA GLU A 11 19.476 5.830 1.079 1.00 0.00 H new ATOM 0 HB2 GLU A 11 20.501 4.759 3.753 1.00 0.00 H new ATOM 0 HB3 GLU A 11 21.488 5.496 2.506 1.00 0.00 H new ATOM 0 HG2 GLU A 11 19.222 7.240 3.095 1.00 0.00 H new ATOM 0 HG3 GLU A 11 20.039 6.829 4.590 1.00 0.00 H new ATOM 172 N SER A 12 19.675 2.712 2.194 1.00 0.00 N ATOM 173 CA SER A 12 19.967 1.326 1.735 1.00 0.00 C ATOM 174 C SER A 12 19.327 1.094 0.364 1.00 0.00 C ATOM 175 O SER A 12 19.942 0.555 -0.535 1.00 0.00 O ATOM 176 CB SER A 12 19.396 0.326 2.740 1.00 0.00 C ATOM 177 OG SER A 12 19.861 -0.979 2.419 1.00 0.00 O ATOM 0 H SER A 12 19.413 2.797 3.176 1.00 0.00 H new ATOM 0 HA SER A 12 21.046 1.189 1.658 1.00 0.00 H new ATOM 0 HB2 SER A 12 19.701 0.595 3.751 1.00 0.00 H new ATOM 0 HB3 SER A 12 18.307 0.352 2.718 1.00 0.00 H new ATOM 0 HG SER A 12 19.498 -1.623 3.062 1.00 0.00 H new ATOM 183 N ILE A 13 18.097 1.495 0.198 1.00 0.00 N ATOM 184 CA ILE A 13 17.420 1.296 -1.114 1.00 0.00 C ATOM 185 C ILE A 13 17.640 2.528 -1.994 1.00 0.00 C ATOM 186 O ILE A 13 18.016 3.582 -1.520 1.00 0.00 O ATOM 187 CB ILE A 13 15.920 1.093 -0.889 1.00 0.00 C ATOM 188 CG1 ILE A 13 15.708 0.083 0.242 1.00 0.00 C ATOM 189 CG2 ILE A 13 15.278 0.562 -2.171 1.00 0.00 C ATOM 190 CD1 ILE A 13 14.210 -0.135 0.457 1.00 0.00 C ATOM 0 H ILE A 13 17.532 1.952 0.914 1.00 0.00 H new ATOM 0 HA ILE A 13 17.836 0.418 -1.607 1.00 0.00 H new ATOM 0 HB ILE A 13 15.461 2.044 -0.620 1.00 0.00 H new ATOM 0 HG12 ILE A 13 16.192 -0.862 -0.005 1.00 0.00 H new ATOM 0 HG13 ILE A 13 16.169 0.447 1.160 1.00 0.00 H new ATOM 0 HG21 ILE A 13 14.210 0.418 -2.010 1.00 0.00 H new ATOM 0 HG22 ILE A 13 15.430 1.279 -2.978 1.00 0.00 H new ATOM 0 HG23 ILE A 13 15.736 -0.390 -2.440 1.00 0.00 H new ATOM 0 HD11 ILE A 13 14.059 -0.854 1.262 1.00 0.00 H new ATOM 0 HD12 ILE A 13 13.739 0.811 0.723 1.00 0.00 H new ATOM 0 HD13 ILE A 13 13.763 -0.518 -0.460 1.00 0.00 H new ATOM 202 N ALA A 14 17.407 2.404 -3.272 1.00 0.00 N ATOM 203 CA ALA A 14 17.604 3.569 -4.181 1.00 0.00 C ATOM 204 C ALA A 14 16.535 3.548 -5.274 1.00 0.00 C ATOM 205 O ALA A 14 16.629 4.249 -6.263 1.00 0.00 O ATOM 206 CB ALA A 14 18.991 3.489 -4.822 1.00 0.00 C ATOM 0 H ALA A 14 17.089 1.548 -3.726 1.00 0.00 H new ATOM 0 HA ALA A 14 17.522 4.493 -3.609 1.00 0.00 H new ATOM 0 HB1 ALA A 14 19.134 4.341 -5.487 1.00 0.00 H new ATOM 0 HB2 ALA A 14 19.753 3.504 -4.043 1.00 0.00 H new ATOM 0 HB3 ALA A 14 19.075 2.565 -5.394 1.00 0.00 H new ATOM 212 N ASP A 15 15.516 2.748 -5.106 1.00 0.00 N ATOM 213 CA ASP A 15 14.442 2.682 -6.136 1.00 0.00 C ATOM 214 C ASP A 15 13.479 1.542 -5.796 1.00 0.00 C ATOM 215 O ASP A 15 13.563 0.939 -4.745 1.00 0.00 O ATOM 216 CB ASP A 15 15.067 2.429 -7.510 1.00 0.00 C ATOM 217 CG ASP A 15 16.304 1.545 -7.355 1.00 0.00 C ATOM 218 OD1 ASP A 15 16.212 0.547 -6.659 1.00 0.00 O ATOM 219 OD2 ASP A 15 17.324 1.879 -7.935 1.00 0.00 O ATOM 0 H ASP A 15 15.382 2.138 -4.300 1.00 0.00 H new ATOM 0 HA ASP A 15 13.897 3.626 -6.153 1.00 0.00 H new ATOM 0 HB2 ASP A 15 14.343 1.947 -8.167 1.00 0.00 H new ATOM 0 HB3 ASP A 15 15.340 3.376 -7.977 1.00 0.00 H new ATOM 224 N GLY A 16 12.565 1.243 -6.677 1.00 0.00 N ATOM 225 CA GLY A 16 11.598 0.142 -6.404 1.00 0.00 C ATOM 226 C GLY A 16 10.905 -0.264 -7.705 1.00 0.00 C ATOM 227 O GLY A 16 11.063 0.370 -8.729 1.00 0.00 O ATOM 0 H GLY A 16 12.446 1.713 -7.574 1.00 0.00 H new ATOM 0 HA2 GLY A 16 12.118 -0.714 -5.974 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.859 0.467 -5.672 1.00 0.00 H new ATOM 231 N THR A 17 10.136 -1.318 -7.673 1.00 0.00 N ATOM 232 CA THR A 17 9.432 -1.765 -8.909 1.00 0.00 C ATOM 233 C THR A 17 8.110 -2.433 -8.528 1.00 0.00 C ATOM 234 O THR A 17 8.074 -3.357 -7.738 1.00 0.00 O ATOM 235 CB THR A 17 10.311 -2.766 -9.663 1.00 0.00 C ATOM 236 OG1 THR A 17 11.506 -2.121 -10.084 1.00 0.00 O ATOM 237 CG2 THR A 17 9.555 -3.292 -10.883 1.00 0.00 C ATOM 0 H THR A 17 9.965 -1.889 -6.845 1.00 0.00 H new ATOM 0 HA THR A 17 9.234 -0.904 -9.547 1.00 0.00 H new ATOM 0 HB THR A 17 10.560 -3.599 -9.006 1.00 0.00 H new ATOM 0 HG1 THR A 17 12.071 -2.761 -10.566 1.00 0.00 H new ATOM 0 HG21 THR A 17 10.181 -4.005 -11.420 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.639 -3.786 -10.558 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.305 -2.461 -11.542 1.00 0.00 H new ATOM 245 N VAL A 18 7.021 -1.975 -9.083 1.00 0.00 N ATOM 246 CA VAL A 18 5.704 -2.586 -8.752 1.00 0.00 C ATOM 247 C VAL A 18 5.795 -4.106 -8.897 1.00 0.00 C ATOM 248 O VAL A 18 6.761 -4.633 -9.414 1.00 0.00 O ATOM 249 CB VAL A 18 4.638 -2.045 -9.706 1.00 0.00 C ATOM 250 CG1 VAL A 18 3.259 -2.537 -9.263 1.00 0.00 C ATOM 251 CG2 VAL A 18 4.664 -0.515 -9.683 1.00 0.00 C ATOM 0 H VAL A 18 6.987 -1.205 -9.751 1.00 0.00 H new ATOM 0 HA VAL A 18 5.435 -2.336 -7.726 1.00 0.00 H new ATOM 0 HB VAL A 18 4.842 -2.398 -10.717 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.499 -2.151 -9.943 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.240 -3.627 -9.278 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.054 -2.184 -8.252 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.905 -0.128 -10.363 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.460 -0.163 -8.672 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.646 -0.163 -9.998 1.00 0.00 H new ATOM 261 N ALA A 19 4.800 -4.817 -8.445 1.00 0.00 N ATOM 262 CA ALA A 19 4.833 -6.303 -8.558 1.00 0.00 C ATOM 263 C ALA A 19 3.751 -6.765 -9.536 1.00 0.00 C ATOM 264 O ALA A 19 4.037 -7.171 -10.645 1.00 0.00 O ATOM 265 CB ALA A 19 4.578 -6.924 -7.184 1.00 0.00 C ATOM 0 H ALA A 19 3.965 -4.434 -8.002 1.00 0.00 H new ATOM 0 HA ALA A 19 5.810 -6.618 -8.923 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.602 -8.011 -7.266 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.349 -6.595 -6.487 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.601 -6.609 -6.818 1.00 0.00 H new ATOM 271 N THR A 20 2.511 -6.710 -9.133 1.00 0.00 N ATOM 272 CA THR A 20 1.414 -7.149 -10.041 1.00 0.00 C ATOM 273 C THR A 20 0.091 -6.537 -9.576 1.00 0.00 C ATOM 274 O THR A 20 -0.259 -6.599 -8.415 1.00 0.00 O ATOM 275 CB THR A 20 1.309 -8.676 -10.011 1.00 0.00 C ATOM 276 OG1 THR A 20 2.498 -9.241 -10.546 1.00 0.00 O ATOM 277 CG2 THR A 20 0.108 -9.125 -10.844 1.00 0.00 C ATOM 0 H THR A 20 2.211 -6.381 -8.216 1.00 0.00 H new ATOM 0 HA THR A 20 1.629 -6.819 -11.057 1.00 0.00 H new ATOM 0 HB THR A 20 1.178 -9.011 -8.982 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.022 -8.541 -10.988 1.00 0.00 H new ATOM 0 HG21 THR A 20 0.035 -10.212 -10.821 1.00 0.00 H new ATOM 0 HG22 THR A 20 -0.803 -8.692 -10.432 1.00 0.00 H new ATOM 0 HG23 THR A 20 0.234 -8.791 -11.874 1.00 0.00 H new ATOM 285 N TRP A 21 -0.649 -5.949 -10.476 1.00 0.00 N ATOM 286 CA TRP A 21 -1.943 -5.336 -10.094 1.00 0.00 C ATOM 287 C TRP A 21 -3.058 -6.376 -10.226 1.00 0.00 C ATOM 288 O TRP A 21 -3.737 -6.448 -11.231 1.00 0.00 O ATOM 289 CB TRP A 21 -2.222 -4.164 -11.030 1.00 0.00 C ATOM 290 CG TRP A 21 -1.660 -2.910 -10.442 1.00 0.00 C ATOM 291 CD1 TRP A 21 -0.467 -2.362 -10.771 1.00 0.00 C ATOM 292 CD2 TRP A 21 -2.245 -2.039 -9.431 1.00 0.00 C ATOM 293 NE1 TRP A 21 -0.285 -1.210 -10.024 1.00 0.00 N ATOM 294 CE2 TRP A 21 -1.350 -0.973 -9.188 1.00 0.00 C ATOM 295 CE3 TRP A 21 -3.452 -2.071 -8.709 1.00 0.00 C ATOM 296 CZ2 TRP A 21 -1.636 0.027 -8.267 1.00 0.00 C ATOM 297 CZ3 TRP A 21 -3.748 -1.063 -7.774 1.00 0.00 C ATOM 298 CH2 TRP A 21 -2.839 -0.015 -7.553 1.00 0.00 C ATOM 0 H TRP A 21 -0.407 -5.869 -11.464 1.00 0.00 H new ATOM 0 HA TRP A 21 -1.902 -4.986 -9.063 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -1.776 -4.351 -12.007 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -3.296 -4.056 -11.185 1.00 0.00 H new ATOM 0 HD1 TRP A 21 0.228 -2.758 -11.496 1.00 0.00 H new ATOM 0 HE1 TRP A 21 0.538 -0.611 -10.087 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -4.155 -2.874 -8.874 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -0.935 0.832 -8.103 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -4.677 -1.095 -7.224 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -3.068 0.757 -6.833 1.00 0.00 H new ATOM 309 N HIS A 22 -3.246 -7.186 -9.219 1.00 0.00 N ATOM 310 CA HIS A 22 -4.320 -8.232 -9.291 1.00 0.00 C ATOM 311 C HIS A 22 -5.583 -7.624 -9.903 1.00 0.00 C ATOM 312 O HIS A 22 -6.013 -8.007 -10.973 1.00 0.00 O ATOM 313 CB HIS A 22 -4.651 -8.766 -7.889 1.00 0.00 C ATOM 314 CG HIS A 22 -3.429 -8.700 -7.024 1.00 0.00 C ATOM 315 ND1 HIS A 22 -3.053 -7.534 -6.385 1.00 0.00 N ATOM 316 CD2 HIS A 22 -2.461 -9.625 -6.722 1.00 0.00 C ATOM 317 CE1 HIS A 22 -1.901 -7.775 -5.748 1.00 0.00 C ATOM 318 NE2 HIS A 22 -1.493 -9.036 -5.915 1.00 0.00 N ATOM 0 H HIS A 22 -2.708 -7.173 -8.352 1.00 0.00 H new ATOM 0 HA HIS A 22 -3.961 -9.055 -9.909 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -5.455 -8.178 -7.446 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -5.007 -9.794 -7.955 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -2.452 -10.651 -7.059 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -1.365 -7.038 -5.168 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -0.654 -9.472 -5.534 1.00 0.00 H new ATOM 326 N LYS A 23 -6.182 -6.678 -9.232 1.00 0.00 N ATOM 327 CA LYS A 23 -7.418 -6.048 -9.776 1.00 0.00 C ATOM 328 C LYS A 23 -7.050 -4.770 -10.534 1.00 0.00 C ATOM 329 O LYS A 23 -5.890 -4.475 -10.746 1.00 0.00 O ATOM 330 CB LYS A 23 -8.364 -5.704 -8.624 1.00 0.00 C ATOM 331 CG LYS A 23 -9.347 -6.856 -8.408 1.00 0.00 C ATOM 332 CD LYS A 23 -8.640 -7.999 -7.676 1.00 0.00 C ATOM 333 CE LYS A 23 -9.636 -8.710 -6.757 1.00 0.00 C ATOM 334 NZ LYS A 23 -8.910 -9.691 -5.902 1.00 0.00 N ATOM 0 H LYS A 23 -5.869 -6.315 -8.332 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.911 -6.743 -10.456 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.794 -5.523 -7.713 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.907 -4.786 -8.848 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -10.204 -6.513 -7.828 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -9.730 -7.206 -9.367 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.225 -8.705 -8.396 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.805 -7.610 -7.093 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -10.155 -7.982 -6.133 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -10.395 -9.220 -7.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -9.586 -10.174 -5.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -8.434 -10.392 -6.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -8.202 -9.192 -5.326 1.00 0.00 H new ATOM 348 N LYS A 24 -8.028 -4.010 -10.942 1.00 0.00 N ATOM 349 CA LYS A 24 -7.735 -2.753 -11.686 1.00 0.00 C ATOM 350 C LYS A 24 -8.542 -1.601 -11.079 1.00 0.00 C ATOM 351 O LYS A 24 -9.433 -1.823 -10.283 1.00 0.00 O ATOM 352 CB LYS A 24 -8.123 -2.927 -13.155 1.00 0.00 C ATOM 353 CG LYS A 24 -6.866 -3.180 -13.990 1.00 0.00 C ATOM 354 CD LYS A 24 -7.114 -4.345 -14.950 1.00 0.00 C ATOM 355 CE LYS A 24 -6.775 -3.913 -16.377 1.00 0.00 C ATOM 356 NZ LYS A 24 -7.580 -2.711 -16.736 1.00 0.00 N ATOM 0 H LYS A 24 -9.018 -4.205 -10.792 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.671 -2.529 -11.615 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.817 -3.760 -13.262 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -8.637 -2.036 -13.514 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.603 -2.283 -14.551 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -6.023 -3.406 -13.337 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.504 -5.202 -14.664 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.155 -4.662 -14.893 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.711 -3.689 -16.458 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -6.984 -4.725 -17.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.863 -2.768 -17.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.430 -2.671 -16.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.010 -1.854 -16.586 1.00 0.00 H new ATOM 370 N PRO A 25 -8.204 -0.403 -11.480 1.00 0.00 N ATOM 371 CA PRO A 25 -8.878 0.816 -10.999 1.00 0.00 C ATOM 372 C PRO A 25 -10.238 0.980 -11.684 1.00 0.00 C ATOM 373 O PRO A 25 -10.358 0.849 -12.886 1.00 0.00 O ATOM 374 CB PRO A 25 -7.921 1.941 -11.404 1.00 0.00 C ATOM 375 CG PRO A 25 -7.062 1.382 -12.563 1.00 0.00 C ATOM 376 CD PRO A 25 -7.118 -0.153 -12.450 1.00 0.00 C ATOM 0 HA PRO A 25 -9.078 0.801 -9.928 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -8.473 2.826 -11.720 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.294 2.240 -10.564 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -7.448 1.714 -13.527 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -6.035 1.739 -12.491 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -7.330 -0.616 -13.414 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -6.170 -0.562 -12.101 1.00 0.00 H new ATOM 384 N GLY A 26 -11.263 1.265 -10.928 1.00 0.00 N ATOM 385 CA GLY A 26 -12.613 1.435 -11.536 1.00 0.00 C ATOM 386 C GLY A 26 -13.542 0.329 -11.034 1.00 0.00 C ATOM 387 O GLY A 26 -14.741 0.375 -11.228 1.00 0.00 O ATOM 0 H GLY A 26 -11.224 1.387 -9.916 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -13.020 2.412 -11.276 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -12.541 1.399 -12.623 1.00 0.00 H new ATOM 391 N GLU A 27 -12.998 -0.668 -10.390 1.00 0.00 N ATOM 392 CA GLU A 27 -13.849 -1.777 -9.875 1.00 0.00 C ATOM 393 C GLU A 27 -14.166 -1.534 -8.398 1.00 0.00 C ATOM 394 O GLU A 27 -13.823 -0.511 -7.840 1.00 0.00 O ATOM 395 CB GLU A 27 -13.102 -3.104 -10.025 1.00 0.00 C ATOM 396 CG GLU A 27 -12.555 -3.224 -11.449 1.00 0.00 C ATOM 397 CD GLU A 27 -13.720 -3.306 -12.438 1.00 0.00 C ATOM 398 OE1 GLU A 27 -14.837 -3.511 -11.992 1.00 0.00 O ATOM 399 OE2 GLU A 27 -13.475 -3.163 -13.624 1.00 0.00 O ATOM 0 H GLU A 27 -12.001 -0.762 -10.199 1.00 0.00 H new ATOM 0 HA GLU A 27 -14.778 -1.816 -10.444 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.286 -3.157 -9.305 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -13.772 -3.937 -9.810 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -11.926 -2.365 -11.682 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.928 -4.111 -11.535 1.00 0.00 H new ATOM 406 N ALA A 28 -14.821 -2.466 -7.760 1.00 0.00 N ATOM 407 CA ALA A 28 -15.158 -2.287 -6.320 1.00 0.00 C ATOM 408 C ALA A 28 -14.039 -2.872 -5.457 1.00 0.00 C ATOM 409 O ALA A 28 -13.125 -3.500 -5.951 1.00 0.00 O ATOM 410 CB ALA A 28 -16.472 -3.008 -6.010 1.00 0.00 C ATOM 0 H ALA A 28 -15.137 -3.343 -8.174 1.00 0.00 H new ATOM 0 HA ALA A 28 -15.266 -1.225 -6.102 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -16.719 -2.877 -4.956 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -17.270 -2.590 -6.624 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -16.364 -4.070 -6.228 1.00 0.00 H new ATOM 416 N VAL A 29 -14.103 -2.669 -4.169 1.00 0.00 N ATOM 417 CA VAL A 29 -13.041 -3.214 -3.275 1.00 0.00 C ATOM 418 C VAL A 29 -13.674 -3.709 -1.974 1.00 0.00 C ATOM 419 O VAL A 29 -14.730 -3.260 -1.576 1.00 0.00 O ATOM 420 CB VAL A 29 -12.025 -2.115 -2.963 1.00 0.00 C ATOM 421 CG1 VAL A 29 -10.716 -2.749 -2.487 1.00 0.00 C ATOM 422 CG2 VAL A 29 -11.760 -1.292 -4.226 1.00 0.00 C ATOM 0 H VAL A 29 -14.844 -2.150 -3.697 1.00 0.00 H new ATOM 0 HA VAL A 29 -12.538 -4.043 -3.772 1.00 0.00 H new ATOM 0 HB VAL A 29 -12.421 -1.467 -2.181 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -9.992 -1.965 -2.265 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -10.902 -3.337 -1.588 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -10.320 -3.397 -3.269 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -11.036 -0.508 -4.004 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -11.364 -1.941 -5.007 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -12.691 -0.840 -4.567 1.00 0.00 H new ATOM 432 N LYS A 30 -13.037 -4.633 -1.307 1.00 0.00 N ATOM 433 CA LYS A 30 -13.603 -5.155 -0.032 1.00 0.00 C ATOM 434 C LYS A 30 -12.515 -5.162 1.045 1.00 0.00 C ATOM 435 O LYS A 30 -11.435 -5.681 0.845 1.00 0.00 O ATOM 436 CB LYS A 30 -14.115 -6.581 -0.247 1.00 0.00 C ATOM 437 CG LYS A 30 -15.644 -6.572 -0.303 1.00 0.00 C ATOM 438 CD LYS A 30 -16.207 -6.948 1.068 1.00 0.00 C ATOM 439 CE LYS A 30 -17.062 -8.212 0.940 1.00 0.00 C ATOM 440 NZ LYS A 30 -18.485 -7.828 0.719 1.00 0.00 N ATOM 0 H LYS A 30 -12.150 -5.048 -1.590 1.00 0.00 H new ATOM 0 HA LYS A 30 -14.427 -4.517 0.287 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -13.709 -6.989 -1.173 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -13.774 -7.227 0.562 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -16.002 -5.585 -0.597 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -15.995 -7.276 -1.058 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -15.393 -7.116 1.773 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -16.807 -6.129 1.464 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -16.706 -8.823 0.110 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -16.973 -8.817 1.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -19.067 -8.686 0.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -18.821 -7.262 1.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -18.562 -7.268 -0.154 1.00 0.00 H new ATOM 454 N ARG A 31 -12.792 -4.585 2.183 1.00 0.00 N ATOM 455 CA ARG A 31 -11.776 -4.553 3.272 1.00 0.00 C ATOM 456 C ARG A 31 -11.093 -5.918 3.377 1.00 0.00 C ATOM 457 O ARG A 31 -11.733 -6.949 3.310 1.00 0.00 O ATOM 458 CB ARG A 31 -12.463 -4.222 4.598 1.00 0.00 C ATOM 459 CG ARG A 31 -11.436 -4.274 5.731 1.00 0.00 C ATOM 460 CD ARG A 31 -12.080 -3.780 7.028 1.00 0.00 C ATOM 461 NE ARG A 31 -11.534 -4.552 8.179 1.00 0.00 N ATOM 462 CZ ARG A 31 -11.517 -5.857 8.140 1.00 0.00 C ATOM 463 NH1 ARG A 31 -12.546 -6.509 7.673 1.00 0.00 N ATOM 464 NH2 ARG A 31 -10.470 -6.508 8.568 1.00 0.00 N ATOM 0 H ARG A 31 -13.680 -4.134 2.405 1.00 0.00 H new ATOM 0 HA ARG A 31 -11.028 -3.792 3.049 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -12.916 -3.232 4.548 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -13.268 -4.931 4.790 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -11.071 -5.293 5.859 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -10.573 -3.656 5.483 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -11.882 -2.717 7.163 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -13.162 -3.899 6.977 1.00 0.00 H new ATOM 0 HE ARG A 31 -11.174 -4.061 8.997 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -13.364 -5.999 7.338 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -12.533 -7.528 7.642 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -9.666 -5.997 8.933 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -10.456 -7.527 8.538 1.00 0.00 H new ATOM 478 N ASP A 32 -9.799 -5.934 3.542 1.00 0.00 N ATOM 479 CA ASP A 32 -9.078 -7.234 3.652 1.00 0.00 C ATOM 480 C ASP A 32 -8.980 -7.880 2.269 1.00 0.00 C ATOM 481 O ASP A 32 -9.009 -9.088 2.135 1.00 0.00 O ATOM 482 CB ASP A 32 -9.843 -8.163 4.598 1.00 0.00 C ATOM 483 CG ASP A 32 -8.861 -9.119 5.277 1.00 0.00 C ATOM 484 OD1 ASP A 32 -7.683 -8.805 5.307 1.00 0.00 O ATOM 485 OD2 ASP A 32 -9.305 -10.150 5.755 1.00 0.00 O ATOM 0 H ASP A 32 -9.210 -5.104 3.605 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.076 -7.063 4.044 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -10.375 -7.578 5.348 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.592 -8.728 4.043 1.00 0.00 H new ATOM 490 N GLU A 33 -8.864 -7.087 1.239 1.00 0.00 N ATOM 491 CA GLU A 33 -8.763 -7.658 -0.133 1.00 0.00 C ATOM 492 C GLU A 33 -7.491 -7.143 -0.808 1.00 0.00 C ATOM 493 O GLU A 33 -7.342 -5.962 -1.055 1.00 0.00 O ATOM 494 CB GLU A 33 -9.984 -7.231 -0.953 1.00 0.00 C ATOM 495 CG GLU A 33 -10.009 -8.006 -2.272 1.00 0.00 C ATOM 496 CD GLU A 33 -11.363 -8.698 -2.433 1.00 0.00 C ATOM 497 OE1 GLU A 33 -12.010 -8.931 -1.426 1.00 0.00 O ATOM 498 OE2 GLU A 33 -11.729 -8.985 -3.561 1.00 0.00 O ATOM 0 H GLU A 33 -8.835 -6.069 1.289 1.00 0.00 H new ATOM 0 HA GLU A 33 -8.727 -8.746 -0.072 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.898 -7.421 -0.390 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.947 -6.159 -1.149 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -9.834 -7.328 -3.107 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -9.207 -8.744 -2.287 1.00 0.00 H new ATOM 505 N LEU A 34 -6.570 -8.019 -1.108 1.00 0.00 N ATOM 506 CA LEU A 34 -5.308 -7.584 -1.764 1.00 0.00 C ATOM 507 C LEU A 34 -5.627 -6.570 -2.865 1.00 0.00 C ATOM 508 O LEU A 34 -6.687 -6.597 -3.458 1.00 0.00 O ATOM 509 CB LEU A 34 -4.608 -8.800 -2.375 1.00 0.00 C ATOM 510 CG LEU A 34 -3.266 -8.372 -2.971 1.00 0.00 C ATOM 511 CD1 LEU A 34 -2.409 -7.723 -1.883 1.00 0.00 C ATOM 512 CD2 LEU A 34 -2.541 -9.601 -3.526 1.00 0.00 C ATOM 0 H LEU A 34 -6.640 -9.020 -0.925 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.654 -7.121 -1.025 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.452 -9.564 -1.613 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.236 -9.244 -3.148 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.436 -7.656 -3.775 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.452 -7.418 -2.307 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.925 -6.849 -1.486 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.238 -8.439 -1.079 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.584 -9.298 -3.951 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.370 -10.317 -2.722 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.152 -10.065 -4.301 1.00 0.00 H new ATOM 524 N ILE A 35 -4.719 -5.675 -3.143 1.00 0.00 N ATOM 525 CA ILE A 35 -4.976 -4.661 -4.205 1.00 0.00 C ATOM 526 C ILE A 35 -3.794 -4.625 -5.177 1.00 0.00 C ATOM 527 O ILE A 35 -3.968 -4.624 -6.379 1.00 0.00 O ATOM 528 CB ILE A 35 -5.151 -3.283 -3.564 1.00 0.00 C ATOM 529 CG1 ILE A 35 -6.480 -3.240 -2.807 1.00 0.00 C ATOM 530 CG2 ILE A 35 -5.149 -2.208 -4.652 1.00 0.00 C ATOM 531 CD1 ILE A 35 -6.771 -1.803 -2.368 1.00 0.00 C ATOM 0 H ILE A 35 -3.812 -5.602 -2.682 1.00 0.00 H new ATOM 0 HA ILE A 35 -5.883 -4.928 -4.747 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.330 -3.098 -2.871 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.285 -3.607 -3.443 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.437 -3.896 -1.937 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.274 -1.227 -4.194 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.203 -2.239 -5.192 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.969 -2.391 -5.346 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.718 -1.772 -1.829 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.971 -1.452 -1.716 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -6.832 -1.160 -3.246 1.00 0.00 H new ATOM 543 N VAL A 36 -2.593 -4.593 -4.667 1.00 0.00 N ATOM 544 CA VAL A 36 -1.406 -4.555 -5.567 1.00 0.00 C ATOM 545 C VAL A 36 -0.155 -4.949 -4.778 1.00 0.00 C ATOM 546 O VAL A 36 -0.004 -4.607 -3.623 1.00 0.00 O ATOM 547 CB VAL A 36 -1.233 -3.141 -6.123 1.00 0.00 C ATOM 548 CG1 VAL A 36 -1.114 -2.147 -4.966 1.00 0.00 C ATOM 549 CG2 VAL A 36 0.036 -3.082 -6.978 1.00 0.00 C ATOM 0 H VAL A 36 -2.383 -4.592 -3.669 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.552 -5.254 -6.390 1.00 0.00 H new ATOM 0 HB VAL A 36 -2.098 -2.883 -6.735 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.991 -1.139 -5.363 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.016 -2.189 -4.356 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.250 -2.404 -4.353 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.161 -2.075 -7.375 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.900 -3.340 -6.365 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.048 -3.789 -7.803 1.00 0.00 H new ATOM 559 N ASP A 37 0.743 -5.668 -5.395 1.00 0.00 N ATOM 560 CA ASP A 37 1.984 -6.084 -4.681 1.00 0.00 C ATOM 561 C ASP A 37 3.139 -5.171 -5.094 1.00 0.00 C ATOM 562 O ASP A 37 3.071 -4.480 -6.091 1.00 0.00 O ATOM 563 CB ASP A 37 2.320 -7.531 -5.046 1.00 0.00 C ATOM 564 CG ASP A 37 1.601 -8.481 -4.086 1.00 0.00 C ATOM 565 OD1 ASP A 37 0.932 -7.993 -3.191 1.00 0.00 O ATOM 566 OD2 ASP A 37 1.733 -9.681 -4.262 1.00 0.00 O ATOM 0 H ASP A 37 0.671 -5.985 -6.362 1.00 0.00 H new ATOM 0 HA ASP A 37 1.829 -6.008 -3.605 1.00 0.00 H new ATOM 0 HB2 ASP A 37 2.018 -7.738 -6.073 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.397 -7.690 -4.993 1.00 0.00 H new ATOM 571 N ILE A 38 4.202 -5.161 -4.336 1.00 0.00 N ATOM 572 CA ILE A 38 5.361 -4.293 -4.687 1.00 0.00 C ATOM 573 C ILE A 38 6.644 -5.125 -4.673 1.00 0.00 C ATOM 574 O ILE A 38 6.689 -6.206 -4.121 1.00 0.00 O ATOM 575 CB ILE A 38 5.475 -3.159 -3.667 1.00 0.00 C ATOM 576 CG1 ILE A 38 4.333 -2.163 -3.881 1.00 0.00 C ATOM 577 CG2 ILE A 38 6.815 -2.443 -3.846 1.00 0.00 C ATOM 578 CD1 ILE A 38 3.879 -1.607 -2.531 1.00 0.00 C ATOM 0 H ILE A 38 4.317 -5.717 -3.489 1.00 0.00 H new ATOM 0 HA ILE A 38 5.213 -3.873 -5.682 1.00 0.00 H new ATOM 0 HB ILE A 38 5.415 -3.571 -2.660 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.662 -1.350 -4.528 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.499 -2.653 -4.383 1.00 0.00 H new ATOM 0 HG21 ILE A 38 6.896 -1.635 -3.119 1.00 0.00 H new ATOM 0 HG22 ILE A 38 7.629 -3.151 -3.693 1.00 0.00 H new ATOM 0 HG23 ILE A 38 6.876 -2.032 -4.854 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.066 -0.898 -2.685 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.533 -2.425 -1.899 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.714 -1.102 -2.046 1.00 0.00 H new ATOM 590 N GLU A 39 7.690 -4.630 -5.278 1.00 0.00 N ATOM 591 CA GLU A 39 8.969 -5.394 -5.299 1.00 0.00 C ATOM 592 C GLU A 39 10.127 -4.458 -4.949 1.00 0.00 C ATOM 593 O GLU A 39 10.074 -3.270 -5.195 1.00 0.00 O ATOM 594 CB GLU A 39 9.191 -5.980 -6.695 1.00 0.00 C ATOM 595 CG GLU A 39 8.169 -7.089 -6.952 1.00 0.00 C ATOM 596 CD GLU A 39 8.754 -8.434 -6.519 1.00 0.00 C ATOM 597 OE1 GLU A 39 9.333 -8.488 -5.446 1.00 0.00 O ATOM 598 OE2 GLU A 39 8.614 -9.388 -7.267 1.00 0.00 O ATOM 0 H GLU A 39 7.714 -3.730 -5.758 1.00 0.00 H new ATOM 0 HA GLU A 39 8.921 -6.202 -4.569 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.093 -5.199 -7.449 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.203 -6.377 -6.778 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.250 -6.886 -6.401 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.907 -7.118 -8.010 1.00 0.00 H new ATOM 605 N THR A 40 11.175 -4.985 -4.376 1.00 0.00 N ATOM 606 CA THR A 40 12.336 -4.126 -4.011 1.00 0.00 C ATOM 607 C THR A 40 13.637 -4.873 -4.309 1.00 0.00 C ATOM 608 O THR A 40 13.626 -5.977 -4.815 1.00 0.00 O ATOM 609 CB THR A 40 12.272 -3.787 -2.519 1.00 0.00 C ATOM 610 OG1 THR A 40 10.992 -4.137 -2.012 1.00 0.00 O ATOM 611 CG2 THR A 40 12.508 -2.289 -2.323 1.00 0.00 C ATOM 0 H THR A 40 11.277 -5.973 -4.145 1.00 0.00 H new ATOM 0 HA THR A 40 12.304 -3.206 -4.594 1.00 0.00 H new ATOM 0 HB THR A 40 13.041 -4.345 -1.985 1.00 0.00 H new ATOM 0 HG1 THR A 40 11.032 -5.031 -1.612 1.00 0.00 H new ATOM 0 HG21 THR A 40 12.462 -2.049 -1.261 1.00 0.00 H new ATOM 0 HG22 THR A 40 13.490 -2.021 -2.713 1.00 0.00 H new ATOM 0 HG23 THR A 40 11.740 -1.727 -2.855 1.00 0.00 H new ATOM 619 N ASP A 41 14.758 -4.279 -4.000 1.00 0.00 N ATOM 620 CA ASP A 41 16.059 -4.951 -4.266 1.00 0.00 C ATOM 621 C ASP A 41 15.968 -6.425 -3.864 1.00 0.00 C ATOM 622 O ASP A 41 16.030 -7.309 -4.695 1.00 0.00 O ATOM 623 CB ASP A 41 17.160 -4.269 -3.452 1.00 0.00 C ATOM 624 CG ASP A 41 18.519 -4.539 -4.102 1.00 0.00 C ATOM 625 OD1 ASP A 41 18.787 -3.949 -5.135 1.00 0.00 O ATOM 626 OD2 ASP A 41 19.267 -5.333 -3.556 1.00 0.00 O ATOM 0 H ASP A 41 14.827 -3.355 -3.574 1.00 0.00 H new ATOM 0 HA ASP A 41 16.292 -4.879 -5.328 1.00 0.00 H new ATOM 0 HB2 ASP A 41 16.977 -3.196 -3.400 1.00 0.00 H new ATOM 0 HB3 ASP A 41 17.154 -4.643 -2.428 1.00 0.00 H new ATOM 631 N LYS A 42 15.821 -6.696 -2.596 1.00 0.00 N ATOM 632 CA LYS A 42 15.727 -8.112 -2.144 1.00 0.00 C ATOM 633 C LYS A 42 14.599 -8.246 -1.118 1.00 0.00 C ATOM 634 O LYS A 42 14.726 -8.942 -0.129 1.00 0.00 O ATOM 635 CB LYS A 42 17.052 -8.533 -1.504 1.00 0.00 C ATOM 636 CG LYS A 42 18.198 -8.264 -2.479 1.00 0.00 C ATOM 637 CD LYS A 42 19.066 -9.517 -2.606 1.00 0.00 C ATOM 638 CE LYS A 42 20.486 -9.117 -3.012 1.00 0.00 C ATOM 639 NZ LYS A 42 21.415 -9.350 -1.869 1.00 0.00 N ATOM 0 H LYS A 42 15.762 -5.998 -1.854 1.00 0.00 H new ATOM 0 HA LYS A 42 15.518 -8.753 -3.000 1.00 0.00 H new ATOM 0 HB2 LYS A 42 17.212 -7.982 -0.577 1.00 0.00 H new ATOM 0 HB3 LYS A 42 17.022 -9.591 -1.244 1.00 0.00 H new ATOM 0 HG2 LYS A 42 17.801 -7.984 -3.455 1.00 0.00 H new ATOM 0 HG3 LYS A 42 18.800 -7.426 -2.127 1.00 0.00 H new ATOM 0 HD2 LYS A 42 19.086 -10.056 -1.659 1.00 0.00 H new ATOM 0 HD3 LYS A 42 18.641 -10.193 -3.348 1.00 0.00 H new ATOM 0 HE2 LYS A 42 20.805 -9.697 -3.878 1.00 0.00 H new ATOM 0 HE3 LYS A 42 20.510 -8.068 -3.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 22.380 -9.078 -2.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 21.114 -8.778 -1.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 21.400 -10.357 -1.609 1.00 0.00 H new ATOM 653 N VAL A 43 13.496 -7.586 -1.345 1.00 0.00 N ATOM 654 CA VAL A 43 12.363 -7.677 -0.382 1.00 0.00 C ATOM 655 C VAL A 43 11.043 -7.463 -1.126 1.00 0.00 C ATOM 656 O VAL A 43 10.875 -6.499 -1.846 1.00 0.00 O ATOM 657 CB VAL A 43 12.521 -6.601 0.694 1.00 0.00 C ATOM 658 CG1 VAL A 43 11.235 -6.509 1.517 1.00 0.00 C ATOM 659 CG2 VAL A 43 13.687 -6.970 1.614 1.00 0.00 C ATOM 0 H VAL A 43 13.331 -6.988 -2.155 1.00 0.00 H new ATOM 0 HA VAL A 43 12.362 -8.662 0.085 1.00 0.00 H new ATOM 0 HB VAL A 43 12.719 -5.640 0.220 1.00 0.00 H new ATOM 0 HG11 VAL A 43 11.348 -5.742 2.284 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.402 -6.249 0.863 1.00 0.00 H new ATOM 0 HG13 VAL A 43 11.037 -7.470 1.991 1.00 0.00 H new ATOM 0 HG21 VAL A 43 13.801 -6.204 2.381 1.00 0.00 H new ATOM 0 HG22 VAL A 43 13.487 -7.931 2.087 1.00 0.00 H new ATOM 0 HG23 VAL A 43 14.604 -7.037 1.029 1.00 0.00 H new ATOM 669 N VAL A 44 10.106 -8.355 -0.959 1.00 0.00 N ATOM 670 CA VAL A 44 8.798 -8.201 -1.657 1.00 0.00 C ATOM 671 C VAL A 44 7.776 -7.592 -0.695 1.00 0.00 C ATOM 672 O VAL A 44 7.660 -7.999 0.444 1.00 0.00 O ATOM 673 CB VAL A 44 8.305 -9.573 -2.122 1.00 0.00 C ATOM 674 CG1 VAL A 44 7.876 -10.401 -0.910 1.00 0.00 C ATOM 675 CG2 VAL A 44 7.112 -9.393 -3.063 1.00 0.00 C ATOM 0 H VAL A 44 10.189 -9.183 -0.370 1.00 0.00 H new ATOM 0 HA VAL A 44 8.921 -7.546 -2.520 1.00 0.00 H new ATOM 0 HB VAL A 44 9.109 -10.088 -2.647 1.00 0.00 H new ATOM 0 HG11 VAL A 44 7.525 -11.378 -1.243 1.00 0.00 H new ATOM 0 HG12 VAL A 44 8.725 -10.530 -0.238 1.00 0.00 H new ATOM 0 HG13 VAL A 44 7.072 -9.886 -0.384 1.00 0.00 H new ATOM 0 HG21 VAL A 44 6.760 -10.370 -3.395 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.309 -8.877 -2.537 1.00 0.00 H new ATOM 0 HG23 VAL A 44 7.417 -8.804 -3.928 1.00 0.00 H new ATOM 685 N MET A 45 7.031 -6.619 -1.144 1.00 0.00 N ATOM 686 CA MET A 45 6.017 -5.985 -0.256 1.00 0.00 C ATOM 687 C MET A 45 4.615 -6.269 -0.798 1.00 0.00 C ATOM 688 O MET A 45 4.442 -7.031 -1.728 1.00 0.00 O ATOM 689 CB MET A 45 6.251 -4.473 -0.211 1.00 0.00 C ATOM 690 CG MET A 45 7.389 -4.160 0.764 1.00 0.00 C ATOM 691 SD MET A 45 6.973 -2.681 1.720 1.00 0.00 S ATOM 692 CE MET A 45 8.579 -1.858 1.574 1.00 0.00 C ATOM 0 H MET A 45 7.081 -6.236 -2.088 1.00 0.00 H new ATOM 0 HA MET A 45 6.107 -6.396 0.749 1.00 0.00 H new ATOM 0 HB2 MET A 45 6.499 -4.103 -1.206 1.00 0.00 H new ATOM 0 HB3 MET A 45 5.340 -3.963 0.101 1.00 0.00 H new ATOM 0 HG2 MET A 45 7.552 -5.005 1.433 1.00 0.00 H new ATOM 0 HG3 MET A 45 8.318 -4.003 0.217 1.00 0.00 H new ATOM 0 HE1 MET A 45 8.549 -0.905 2.102 1.00 0.00 H new ATOM 0 HE2 MET A 45 9.353 -2.490 2.010 1.00 0.00 H new ATOM 0 HE3 MET A 45 8.804 -1.683 0.522 1.00 0.00 H new ATOM 702 N GLU A 46 3.613 -5.661 -0.226 1.00 0.00 N ATOM 703 CA GLU A 46 2.223 -5.897 -0.710 1.00 0.00 C ATOM 704 C GLU A 46 1.352 -4.689 -0.366 1.00 0.00 C ATOM 705 O GLU A 46 1.716 -3.858 0.443 1.00 0.00 O ATOM 706 CB GLU A 46 1.653 -7.146 -0.035 1.00 0.00 C ATOM 707 CG GLU A 46 2.092 -7.181 1.430 1.00 0.00 C ATOM 708 CD GLU A 46 1.344 -8.297 2.162 1.00 0.00 C ATOM 709 OE1 GLU A 46 0.953 -9.248 1.506 1.00 0.00 O ATOM 710 OE2 GLU A 46 1.174 -8.181 3.364 1.00 0.00 O ATOM 0 H GLU A 46 3.696 -5.011 0.556 1.00 0.00 H new ATOM 0 HA GLU A 46 2.234 -6.041 -1.790 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.565 -7.142 -0.099 1.00 0.00 H new ATOM 0 HB3 GLU A 46 2.000 -8.041 -0.551 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.167 -7.347 1.494 1.00 0.00 H new ATOM 0 HG3 GLU A 46 1.889 -6.221 1.904 1.00 0.00 H new ATOM 717 N VAL A 47 0.202 -4.583 -0.974 1.00 0.00 N ATOM 718 CA VAL A 47 -0.692 -3.427 -0.683 1.00 0.00 C ATOM 719 C VAL A 47 -2.125 -3.927 -0.492 1.00 0.00 C ATOM 720 O VAL A 47 -2.813 -4.246 -1.442 1.00 0.00 O ATOM 721 CB VAL A 47 -0.647 -2.439 -1.848 1.00 0.00 C ATOM 722 CG1 VAL A 47 -1.551 -1.244 -1.542 1.00 0.00 C ATOM 723 CG2 VAL A 47 0.791 -1.951 -2.045 1.00 0.00 C ATOM 0 H VAL A 47 -0.157 -5.247 -1.660 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.356 -2.929 0.227 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.994 -2.933 -2.756 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.518 -0.540 -2.374 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.575 -1.589 -1.400 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.205 -0.749 -0.634 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.825 -1.246 -2.876 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.136 -1.458 -1.136 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.437 -2.801 -2.264 1.00 0.00 H new ATOM 733 N LEU A 48 -2.582 -3.999 0.728 1.00 0.00 N ATOM 734 CA LEU A 48 -3.970 -4.478 0.978 1.00 0.00 C ATOM 735 C LEU A 48 -4.917 -3.280 1.060 1.00 0.00 C ATOM 736 O LEU A 48 -4.491 -2.146 1.160 1.00 0.00 O ATOM 737 CB LEU A 48 -4.012 -5.251 2.298 1.00 0.00 C ATOM 738 CG LEU A 48 -4.423 -6.699 2.028 1.00 0.00 C ATOM 739 CD1 LEU A 48 -5.826 -6.728 1.419 1.00 0.00 C ATOM 740 CD2 LEU A 48 -3.432 -7.337 1.052 1.00 0.00 C ATOM 0 H LEU A 48 -2.053 -3.746 1.563 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.281 -5.131 0.163 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.034 -5.223 2.779 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.718 -4.783 2.984 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.422 -7.256 2.965 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.118 -7.760 1.227 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.533 -6.274 2.113 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.828 -6.170 0.483 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.725 -8.369 0.859 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.433 -6.779 0.116 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.432 -7.318 1.485 1.00 0.00 H new ATOM 752 N ALA A 49 -6.199 -3.520 1.016 1.00 0.00 N ATOM 753 CA ALA A 49 -7.172 -2.393 1.090 1.00 0.00 C ATOM 754 C ALA A 49 -7.427 -2.037 2.556 1.00 0.00 C ATOM 755 O ALA A 49 -7.604 -2.899 3.394 1.00 0.00 O ATOM 756 CB ALA A 49 -8.487 -2.810 0.430 1.00 0.00 C ATOM 0 H ALA A 49 -6.615 -4.448 0.932 1.00 0.00 H new ATOM 0 HA ALA A 49 -6.765 -1.526 0.570 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -9.199 -1.986 0.484 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.305 -3.065 -0.614 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -8.896 -3.677 0.949 1.00 0.00 H new ATOM 762 N GLU A 50 -7.449 -0.771 2.874 1.00 0.00 N ATOM 763 CA GLU A 50 -7.692 -0.360 4.285 1.00 0.00 C ATOM 764 C GLU A 50 -9.176 -0.038 4.474 1.00 0.00 C ATOM 765 O GLU A 50 -9.583 0.487 5.491 1.00 0.00 O ATOM 766 CB GLU A 50 -6.856 0.880 4.607 1.00 0.00 C ATOM 767 CG GLU A 50 -5.852 0.546 5.712 1.00 0.00 C ATOM 768 CD GLU A 50 -5.736 1.731 6.672 1.00 0.00 C ATOM 769 OE1 GLU A 50 -6.767 2.217 7.109 1.00 0.00 O ATOM 770 OE2 GLU A 50 -4.619 2.132 6.955 1.00 0.00 O ATOM 0 H GLU A 50 -7.309 -0.004 2.217 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.408 -1.173 4.954 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.331 1.219 3.714 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -7.505 1.696 4.925 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.174 -0.344 6.253 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.878 0.320 5.277 1.00 0.00 H new ATOM 777 N ALA A 51 -9.989 -0.350 3.501 1.00 0.00 N ATOM 778 CA ALA A 51 -11.445 -0.062 3.626 1.00 0.00 C ATOM 779 C ALA A 51 -12.115 -0.217 2.259 1.00 0.00 C ATOM 780 O ALA A 51 -11.550 0.124 1.239 1.00 0.00 O ATOM 781 CB ALA A 51 -11.641 1.370 4.131 1.00 0.00 C ATOM 0 H ALA A 51 -9.707 -0.792 2.626 1.00 0.00 H new ATOM 0 HA ALA A 51 -11.894 -0.761 4.332 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -12.706 1.581 4.222 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -11.164 1.481 5.105 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -11.192 2.069 3.426 1.00 0.00 H new ATOM 787 N ASP A 52 -13.315 -0.729 2.231 1.00 0.00 N ATOM 788 CA ASP A 52 -14.019 -0.904 0.930 1.00 0.00 C ATOM 789 C ASP A 52 -14.150 0.454 0.237 1.00 0.00 C ATOM 790 O ASP A 52 -13.867 1.489 0.808 1.00 0.00 O ATOM 791 CB ASP A 52 -15.405 -1.525 1.184 1.00 0.00 C ATOM 792 CG ASP A 52 -16.419 -1.070 0.127 1.00 0.00 C ATOM 793 OD1 ASP A 52 -16.927 0.031 0.257 1.00 0.00 O ATOM 794 OD2 ASP A 52 -16.668 -1.832 -0.793 1.00 0.00 O ATOM 0 H ASP A 52 -13.838 -1.033 3.052 1.00 0.00 H new ATOM 0 HA ASP A 52 -13.451 -1.571 0.281 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -15.327 -2.612 1.173 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -15.757 -1.241 2.176 1.00 0.00 H new ATOM 799 N GLY A 53 -14.580 0.452 -0.992 1.00 0.00 N ATOM 800 CA GLY A 53 -14.733 1.734 -1.735 1.00 0.00 C ATOM 801 C GLY A 53 -14.480 1.496 -3.225 1.00 0.00 C ATOM 802 O GLY A 53 -14.604 0.391 -3.717 1.00 0.00 O ATOM 0 H GLY A 53 -14.833 -0.385 -1.517 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -15.735 2.135 -1.585 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -14.032 2.475 -1.350 1.00 0.00 H new ATOM 806 N VAL A 54 -14.128 2.523 -3.948 1.00 0.00 N ATOM 807 CA VAL A 54 -13.866 2.354 -5.404 1.00 0.00 C ATOM 808 C VAL A 54 -12.504 2.957 -5.753 1.00 0.00 C ATOM 809 O VAL A 54 -12.223 4.098 -5.445 1.00 0.00 O ATOM 810 CB VAL A 54 -14.959 3.068 -6.204 1.00 0.00 C ATOM 811 CG1 VAL A 54 -14.548 3.144 -7.676 1.00 0.00 C ATOM 812 CG2 VAL A 54 -16.270 2.290 -6.081 1.00 0.00 C ATOM 0 H VAL A 54 -14.011 3.472 -3.593 1.00 0.00 H new ATOM 0 HA VAL A 54 -13.867 1.293 -5.652 1.00 0.00 H new ATOM 0 HB VAL A 54 -15.095 4.076 -5.813 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -15.326 3.652 -8.245 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -13.613 3.698 -7.765 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -14.411 2.136 -8.068 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -17.049 2.797 -6.650 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -16.133 1.282 -6.472 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -16.564 2.235 -5.033 1.00 0.00 H new ATOM 822 N ILE A 55 -11.656 2.200 -6.391 1.00 0.00 N ATOM 823 CA ILE A 55 -10.312 2.728 -6.758 1.00 0.00 C ATOM 824 C ILE A 55 -10.472 3.885 -7.747 1.00 0.00 C ATOM 825 O ILE A 55 -11.467 3.993 -8.436 1.00 0.00 O ATOM 826 CB ILE A 55 -9.488 1.615 -7.404 1.00 0.00 C ATOM 827 CG1 ILE A 55 -9.470 0.394 -6.479 1.00 0.00 C ATOM 828 CG2 ILE A 55 -8.056 2.106 -7.635 1.00 0.00 C ATOM 829 CD1 ILE A 55 -8.557 0.668 -5.281 1.00 0.00 C ATOM 0 H ILE A 55 -11.836 1.237 -6.675 1.00 0.00 H new ATOM 0 HA ILE A 55 -9.803 3.084 -5.862 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.933 1.340 -8.360 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -10.480 0.171 -6.135 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -9.118 -0.482 -7.024 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -7.469 1.312 -8.096 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -8.071 2.975 -8.293 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -7.607 2.382 -6.681 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.546 -0.202 -4.625 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.545 0.869 -5.633 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -8.928 1.533 -4.731 1.00 0.00 H new ATOM 841 N ALA A 56 -9.499 4.751 -7.824 1.00 0.00 N ATOM 842 CA ALA A 56 -9.597 5.900 -8.768 1.00 0.00 C ATOM 843 C ALA A 56 -8.883 5.547 -10.075 1.00 0.00 C ATOM 844 O ALA A 56 -9.506 5.363 -11.103 1.00 0.00 O ATOM 845 CB ALA A 56 -8.937 7.130 -8.144 1.00 0.00 C ATOM 0 H ALA A 56 -8.641 4.713 -7.274 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.646 6.115 -8.972 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -9.008 7.971 -8.834 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.444 7.381 -7.212 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -7.888 6.916 -7.940 1.00 0.00 H new ATOM 851 N GLU A 57 -7.583 5.449 -10.045 1.00 0.00 N ATOM 852 CA GLU A 57 -6.831 5.108 -11.285 1.00 0.00 C ATOM 853 C GLU A 57 -5.360 4.868 -10.939 1.00 0.00 C ATOM 854 O GLU A 57 -4.793 5.537 -10.099 1.00 0.00 O ATOM 855 CB GLU A 57 -6.940 6.264 -12.281 1.00 0.00 C ATOM 856 CG GLU A 57 -6.601 7.579 -11.577 1.00 0.00 C ATOM 857 CD GLU A 57 -7.597 8.658 -12.005 1.00 0.00 C ATOM 858 OE1 GLU A 57 -8.744 8.571 -11.600 1.00 0.00 O ATOM 859 OE2 GLU A 57 -7.195 9.554 -12.730 1.00 0.00 O ATOM 0 H GLU A 57 -7.008 5.590 -9.214 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.251 4.206 -11.729 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.261 6.102 -13.118 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.948 6.309 -12.693 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.636 7.445 -10.496 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.586 7.887 -11.827 1.00 0.00 H new ATOM 866 N ILE A 58 -4.737 3.918 -11.581 1.00 0.00 N ATOM 867 CA ILE A 58 -3.304 3.636 -11.288 1.00 0.00 C ATOM 868 C ILE A 58 -2.421 4.393 -12.283 1.00 0.00 C ATOM 869 O ILE A 58 -2.619 4.323 -13.480 1.00 0.00 O ATOM 870 CB ILE A 58 -3.042 2.135 -11.412 1.00 0.00 C ATOM 871 CG1 ILE A 58 -4.017 1.372 -10.512 1.00 0.00 C ATOM 872 CG2 ILE A 58 -1.607 1.828 -10.982 1.00 0.00 C ATOM 873 CD1 ILE A 58 -4.022 2.000 -9.117 1.00 0.00 C ATOM 0 H ILE A 58 -5.159 3.325 -12.296 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.070 3.962 -10.274 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.184 1.827 -12.448 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.020 1.400 -10.938 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.726 0.323 -10.449 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.422 0.758 -11.071 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.911 2.371 -11.622 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.464 2.136 -9.946 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.716 1.457 -8.476 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.020 1.949 -8.692 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.334 3.042 -9.188 1.00 0.00 H new ATOM 885 N VAL A 59 -1.447 5.114 -11.798 1.00 0.00 N ATOM 886 CA VAL A 59 -0.554 5.873 -12.718 1.00 0.00 C ATOM 887 C VAL A 59 0.636 4.996 -13.111 1.00 0.00 C ATOM 888 O VAL A 59 1.196 5.134 -14.181 1.00 0.00 O ATOM 889 CB VAL A 59 -0.048 7.132 -12.013 1.00 0.00 C ATOM 890 CG1 VAL A 59 0.895 7.896 -12.944 1.00 0.00 C ATOM 891 CG2 VAL A 59 -1.237 8.026 -11.651 1.00 0.00 C ATOM 0 H VAL A 59 -1.231 5.210 -10.806 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.109 6.155 -13.613 1.00 0.00 H new ATOM 0 HB VAL A 59 0.486 6.849 -11.106 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.255 8.793 -12.441 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.742 7.261 -13.205 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.361 8.179 -13.851 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.877 8.924 -11.148 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.770 8.307 -12.559 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.911 7.484 -10.988 1.00 0.00 H new ATOM 901 N LYS A 60 1.028 4.093 -12.255 1.00 0.00 N ATOM 902 CA LYS A 60 2.181 3.206 -12.580 1.00 0.00 C ATOM 903 C LYS A 60 1.677 1.785 -12.834 1.00 0.00 C ATOM 904 O LYS A 60 0.903 1.245 -12.068 1.00 0.00 O ATOM 905 CB LYS A 60 3.165 3.199 -11.409 1.00 0.00 C ATOM 906 CG LYS A 60 4.593 3.335 -11.940 1.00 0.00 C ATOM 907 CD LYS A 60 5.101 4.755 -11.679 1.00 0.00 C ATOM 908 CE LYS A 60 5.692 5.331 -12.967 1.00 0.00 C ATOM 909 NZ LYS A 60 6.924 6.106 -12.646 1.00 0.00 N ATOM 0 H LYS A 60 0.599 3.931 -11.344 1.00 0.00 H new ATOM 0 HA LYS A 60 2.684 3.576 -13.473 1.00 0.00 H new ATOM 0 HB2 LYS A 60 2.940 4.019 -10.727 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.064 2.274 -10.841 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.244 2.609 -11.453 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.617 3.119 -13.008 1.00 0.00 H new ATOM 0 HD2 LYS A 60 4.285 5.386 -11.327 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.856 4.744 -10.893 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.927 4.526 -13.663 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.962 5.975 -13.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 7.326 6.498 -13.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 6.686 6.883 -11.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 7.621 5.479 -12.195 1.00 0.00 H new ATOM 923 N ASN A 61 2.108 1.172 -13.902 1.00 0.00 N ATOM 924 CA ASN A 61 1.652 -0.214 -14.202 1.00 0.00 C ATOM 925 C ASN A 61 2.540 -1.214 -13.461 1.00 0.00 C ATOM 926 O ASN A 61 3.671 -0.924 -13.123 1.00 0.00 O ATOM 927 CB ASN A 61 1.746 -0.467 -15.709 1.00 0.00 C ATOM 928 CG ASN A 61 0.782 0.466 -16.444 1.00 0.00 C ATOM 929 OD1 ASN A 61 -0.317 0.075 -16.789 1.00 0.00 O ATOM 930 ND2 ASN A 61 1.148 1.692 -16.700 1.00 0.00 N ATOM 0 H ASN A 61 2.757 1.572 -14.580 1.00 0.00 H new ATOM 0 HA ASN A 61 0.619 -0.335 -13.877 1.00 0.00 H new ATOM 0 HB2 ASN A 61 2.766 -0.298 -16.054 1.00 0.00 H new ATOM 0 HB3 ASN A 61 1.503 -1.506 -15.930 1.00 0.00 H new ATOM 0 HD21 ASN A 61 0.513 2.322 -17.189 1.00 0.00 H new ATOM 0 HD22 ASN A 61 2.069 2.020 -16.411 1.00 0.00 H new ATOM 937 N GLU A 62 2.038 -2.391 -13.205 1.00 0.00 N ATOM 938 CA GLU A 62 2.855 -3.410 -12.486 1.00 0.00 C ATOM 939 C GLU A 62 4.006 -3.867 -13.384 1.00 0.00 C ATOM 940 O GLU A 62 3.850 -4.021 -14.579 1.00 0.00 O ATOM 941 CB GLU A 62 1.975 -4.611 -12.132 1.00 0.00 C ATOM 942 CG GLU A 62 1.102 -4.976 -13.333 1.00 0.00 C ATOM 943 CD GLU A 62 1.350 -6.435 -13.720 1.00 0.00 C ATOM 944 OE1 GLU A 62 0.723 -7.299 -13.127 1.00 0.00 O ATOM 945 OE2 GLU A 62 2.162 -6.664 -14.600 1.00 0.00 O ATOM 0 H GLU A 62 1.098 -2.691 -13.462 1.00 0.00 H new ATOM 0 HA GLU A 62 3.259 -2.974 -11.572 1.00 0.00 H new ATOM 0 HB2 GLU A 62 2.597 -5.460 -11.850 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.348 -4.375 -11.272 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.050 -4.827 -13.090 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.330 -4.322 -14.174 1.00 0.00 H new ATOM 952 N GLY A 63 5.162 -4.085 -12.818 1.00 0.00 N ATOM 953 CA GLY A 63 6.321 -4.531 -13.641 1.00 0.00 C ATOM 954 C GLY A 63 7.175 -3.321 -14.022 1.00 0.00 C ATOM 955 O GLY A 63 8.276 -3.456 -14.517 1.00 0.00 O ATOM 0 H GLY A 63 5.353 -3.974 -11.822 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.920 -5.251 -13.084 1.00 0.00 H new ATOM 0 HA3 GLY A 63 5.969 -5.038 -14.539 1.00 0.00 H new ATOM 959 N ASP A 64 6.675 -2.137 -13.795 1.00 0.00 N ATOM 960 CA ASP A 64 7.457 -0.918 -14.144 1.00 0.00 C ATOM 961 C ASP A 64 8.200 -0.420 -12.902 1.00 0.00 C ATOM 962 O ASP A 64 7.986 -0.891 -11.802 1.00 0.00 O ATOM 963 CB ASP A 64 6.499 0.161 -14.680 1.00 0.00 C ATOM 964 CG ASP A 64 7.016 1.569 -14.361 1.00 0.00 C ATOM 965 OD1 ASP A 64 7.866 2.048 -15.094 1.00 0.00 O ATOM 966 OD2 ASP A 64 6.553 2.144 -13.389 1.00 0.00 O ATOM 0 H ASP A 64 5.759 -1.962 -13.383 1.00 0.00 H new ATOM 0 HA ASP A 64 8.190 -1.149 -14.917 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.386 0.048 -15.758 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.511 0.025 -14.240 1.00 0.00 H new ATOM 971 N THR A 65 9.073 0.530 -13.077 1.00 0.00 N ATOM 972 CA THR A 65 9.838 1.069 -11.917 1.00 0.00 C ATOM 973 C THR A 65 9.060 2.224 -11.284 1.00 0.00 C ATOM 974 O THR A 65 8.222 2.839 -11.913 1.00 0.00 O ATOM 975 CB THR A 65 11.201 1.574 -12.396 1.00 0.00 C ATOM 976 OG1 THR A 65 12.023 1.853 -11.271 1.00 0.00 O ATOM 977 CG2 THR A 65 11.014 2.847 -13.221 1.00 0.00 C ATOM 0 H THR A 65 9.292 0.959 -13.976 1.00 0.00 H new ATOM 0 HA THR A 65 9.981 0.280 -11.178 1.00 0.00 H new ATOM 0 HB THR A 65 11.675 0.811 -13.013 1.00 0.00 H new ATOM 0 HG1 THR A 65 11.685 1.367 -10.490 1.00 0.00 H new ATOM 0 HG21 THR A 65 11.985 3.206 -13.562 1.00 0.00 H new ATOM 0 HG22 THR A 65 10.384 2.632 -14.084 1.00 0.00 H new ATOM 0 HG23 THR A 65 10.540 3.612 -12.607 1.00 0.00 H new ATOM 985 N VAL A 66 9.329 2.523 -10.043 1.00 0.00 N ATOM 986 CA VAL A 66 8.604 3.638 -9.372 1.00 0.00 C ATOM 987 C VAL A 66 9.617 4.612 -8.763 1.00 0.00 C ATOM 988 O VAL A 66 10.810 4.472 -8.941 1.00 0.00 O ATOM 989 CB VAL A 66 7.711 3.072 -8.265 1.00 0.00 C ATOM 990 CG1 VAL A 66 6.411 2.546 -8.876 1.00 0.00 C ATOM 991 CG2 VAL A 66 8.441 1.929 -7.557 1.00 0.00 C ATOM 0 H VAL A 66 10.019 2.044 -9.465 1.00 0.00 H new ATOM 0 HA VAL A 66 7.989 4.163 -10.102 1.00 0.00 H new ATOM 0 HB VAL A 66 7.481 3.858 -7.546 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.775 2.143 -8.088 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.891 3.360 -9.381 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.639 1.760 -9.595 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.806 1.525 -6.768 1.00 0.00 H new ATOM 0 HG22 VAL A 66 8.671 1.143 -8.276 1.00 0.00 H new ATOM 0 HG23 VAL A 66 9.367 2.304 -7.121 1.00 0.00 H new ATOM 1001 N LEU A 67 9.149 5.596 -8.046 1.00 0.00 N ATOM 1002 CA LEU A 67 10.084 6.577 -7.428 1.00 0.00 C ATOM 1003 C LEU A 67 9.586 6.945 -6.029 1.00 0.00 C ATOM 1004 O LEU A 67 8.549 6.490 -5.589 1.00 0.00 O ATOM 1005 CB LEU A 67 10.149 7.837 -8.293 1.00 0.00 C ATOM 1006 CG LEU A 67 11.487 7.882 -9.032 1.00 0.00 C ATOM 1007 CD1 LEU A 67 11.308 8.596 -10.372 1.00 0.00 C ATOM 1008 CD2 LEU A 67 12.511 8.640 -8.184 1.00 0.00 C ATOM 0 H LEU A 67 8.160 5.763 -7.861 1.00 0.00 H new ATOM 0 HA LEU A 67 11.078 6.135 -7.356 1.00 0.00 H new ATOM 0 HB2 LEU A 67 9.326 7.842 -9.008 1.00 0.00 H new ATOM 0 HB3 LEU A 67 10.036 8.724 -7.670 1.00 0.00 H new ATOM 0 HG LEU A 67 11.839 6.865 -9.207 1.00 0.00 H new ATOM 0 HD11 LEU A 67 12.262 8.628 -10.898 1.00 0.00 H new ATOM 0 HD12 LEU A 67 10.578 8.058 -10.977 1.00 0.00 H new ATOM 0 HD13 LEU A 67 10.956 9.613 -10.198 1.00 0.00 H new ATOM 0 HD21 LEU A 67 13.465 8.673 -8.709 1.00 0.00 H new ATOM 0 HD22 LEU A 67 12.158 9.656 -8.009 1.00 0.00 H new ATOM 0 HD23 LEU A 67 12.640 8.131 -7.229 1.00 0.00 H new ATOM 1020 N SER A 68 10.317 7.767 -5.325 1.00 0.00 N ATOM 1021 CA SER A 68 9.885 8.163 -3.956 1.00 0.00 C ATOM 1022 C SER A 68 8.645 9.056 -4.050 1.00 0.00 C ATOM 1023 O SER A 68 8.651 10.074 -4.712 1.00 0.00 O ATOM 1024 CB SER A 68 11.014 8.931 -3.267 1.00 0.00 C ATOM 1025 OG SER A 68 10.766 8.974 -1.868 1.00 0.00 O ATOM 0 H SER A 68 11.195 8.181 -5.640 1.00 0.00 H new ATOM 0 HA SER A 68 9.647 7.270 -3.378 1.00 0.00 H new ATOM 0 HB2 SER A 68 11.971 8.448 -3.464 1.00 0.00 H new ATOM 0 HB3 SER A 68 11.079 9.943 -3.668 1.00 0.00 H new ATOM 0 HG SER A 68 11.488 9.464 -1.423 1.00 0.00 H new ATOM 1031 N GLY A 69 7.582 8.682 -3.392 1.00 0.00 N ATOM 1032 CA GLY A 69 6.345 9.509 -3.443 1.00 0.00 C ATOM 1033 C GLY A 69 5.654 9.313 -4.794 1.00 0.00 C ATOM 1034 O GLY A 69 4.877 10.138 -5.231 1.00 0.00 O ATOM 0 H GLY A 69 7.517 7.839 -2.821 1.00 0.00 H new ATOM 0 HA2 GLY A 69 5.672 9.225 -2.634 1.00 0.00 H new ATOM 0 HA3 GLY A 69 6.592 10.561 -3.298 1.00 0.00 H new ATOM 1038 N GLU A 70 5.930 8.225 -5.460 1.00 0.00 N ATOM 1039 CA GLU A 70 5.289 7.976 -6.781 1.00 0.00 C ATOM 1040 C GLU A 70 3.830 7.569 -6.571 1.00 0.00 C ATOM 1041 O GLU A 70 3.535 6.453 -6.195 1.00 0.00 O ATOM 1042 CB GLU A 70 6.033 6.853 -7.506 1.00 0.00 C ATOM 1043 CG GLU A 70 5.316 6.530 -8.819 1.00 0.00 C ATOM 1044 CD GLU A 70 5.301 7.772 -9.713 1.00 0.00 C ATOM 1045 OE1 GLU A 70 6.207 8.579 -9.585 1.00 0.00 O ATOM 1046 OE2 GLU A 70 4.384 7.894 -10.508 1.00 0.00 O ATOM 0 H GLU A 70 6.572 7.498 -5.146 1.00 0.00 H new ATOM 0 HA GLU A 70 5.330 8.885 -7.381 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.062 7.153 -7.705 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.077 5.965 -6.875 1.00 0.00 H new ATOM 0 HG2 GLU A 70 5.820 5.709 -9.328 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.296 6.202 -8.617 1.00 0.00 H new ATOM 1053 N LEU A 71 2.913 8.466 -6.812 1.00 0.00 N ATOM 1054 CA LEU A 71 1.473 8.130 -6.626 1.00 0.00 C ATOM 1055 C LEU A 71 1.094 6.980 -7.560 1.00 0.00 C ATOM 1056 O LEU A 71 0.951 7.159 -8.753 1.00 0.00 O ATOM 1057 CB LEU A 71 0.617 9.356 -6.951 1.00 0.00 C ATOM 1058 CG LEU A 71 -0.863 8.978 -6.878 1.00 0.00 C ATOM 1059 CD1 LEU A 71 -1.486 9.593 -5.623 1.00 0.00 C ATOM 1060 CD2 LEU A 71 -1.585 9.511 -8.117 1.00 0.00 C ATOM 0 H LEU A 71 3.099 9.417 -7.130 1.00 0.00 H new ATOM 0 HA LEU A 71 1.300 7.831 -5.592 1.00 0.00 H new ATOM 0 HB2 LEU A 71 0.833 10.160 -6.248 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.860 9.729 -7.946 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.959 7.893 -6.837 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.541 9.324 -5.571 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.971 9.216 -4.739 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.390 10.678 -5.664 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.640 9.243 -8.067 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.488 10.596 -8.156 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.142 9.075 -9.012 1.00 0.00 H new ATOM 1072 N LEU A 72 0.929 5.800 -7.028 1.00 0.00 N ATOM 1073 CA LEU A 72 0.558 4.641 -7.887 1.00 0.00 C ATOM 1074 C LEU A 72 -0.958 4.619 -8.088 1.00 0.00 C ATOM 1075 O LEU A 72 -1.473 3.894 -8.916 1.00 0.00 O ATOM 1076 CB LEU A 72 1.001 3.341 -7.210 1.00 0.00 C ATOM 1077 CG LEU A 72 2.472 3.454 -6.803 1.00 0.00 C ATOM 1078 CD1 LEU A 72 2.664 2.852 -5.410 1.00 0.00 C ATOM 1079 CD2 LEU A 72 3.337 2.692 -7.810 1.00 0.00 C ATOM 0 H LEU A 72 1.035 5.589 -6.036 1.00 0.00 H new ATOM 0 HA LEU A 72 1.052 4.734 -8.854 1.00 0.00 H new ATOM 0 HB2 LEU A 72 0.384 3.146 -6.333 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.864 2.500 -7.889 1.00 0.00 H new ATOM 0 HG LEU A 72 2.766 4.503 -6.789 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.712 2.932 -5.120 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.046 3.392 -4.692 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.371 1.802 -5.424 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.385 2.771 -7.522 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.042 1.643 -7.822 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.200 3.119 -8.804 1.00 0.00 H new ATOM 1091 N GLY A 73 -1.676 5.409 -7.339 1.00 0.00 N ATOM 1092 CA GLY A 73 -3.159 5.433 -7.488 1.00 0.00 C ATOM 1093 C GLY A 73 -3.792 5.991 -6.213 1.00 0.00 C ATOM 1094 O GLY A 73 -3.154 6.091 -5.184 1.00 0.00 O ATOM 0 H GLY A 73 -1.301 6.039 -6.630 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -3.439 6.047 -8.344 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.532 4.427 -7.681 1.00 0.00 H new ATOM 1098 N LYS A 74 -5.044 6.355 -6.271 1.00 0.00 N ATOM 1099 CA LYS A 74 -5.717 6.906 -5.060 1.00 0.00 C ATOM 1100 C LYS A 74 -6.991 6.107 -4.776 1.00 0.00 C ATOM 1101 O LYS A 74 -7.603 5.557 -5.671 1.00 0.00 O ATOM 1102 CB LYS A 74 -6.078 8.374 -5.301 1.00 0.00 C ATOM 1103 CG LYS A 74 -4.894 9.261 -4.911 1.00 0.00 C ATOM 1104 CD LYS A 74 -5.295 10.732 -5.040 1.00 0.00 C ATOM 1105 CE LYS A 74 -4.833 11.270 -6.395 1.00 0.00 C ATOM 1106 NZ LYS A 74 -5.290 12.680 -6.552 1.00 0.00 N ATOM 0 H LYS A 74 -5.630 6.295 -7.104 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.045 6.833 -4.205 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.333 8.530 -6.349 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.957 8.644 -4.716 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.586 9.045 -3.888 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -4.039 9.048 -5.553 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -6.376 10.835 -4.945 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -4.848 11.314 -4.234 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -3.747 11.218 -6.467 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -5.236 10.654 -7.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.976 13.046 -7.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -6.328 12.716 -6.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -4.885 13.263 -5.792 1.00 0.00 H new ATOM 1120 N LEU A 75 -7.395 6.038 -3.537 1.00 0.00 N ATOM 1121 CA LEU A 75 -8.629 5.275 -3.198 1.00 0.00 C ATOM 1122 C LEU A 75 -9.809 6.241 -3.075 1.00 0.00 C ATOM 1123 O LEU A 75 -9.644 7.401 -2.756 1.00 0.00 O ATOM 1124 CB LEU A 75 -8.428 4.545 -1.869 1.00 0.00 C ATOM 1125 CG LEU A 75 -9.548 3.523 -1.672 1.00 0.00 C ATOM 1126 CD1 LEU A 75 -8.946 2.173 -1.277 1.00 0.00 C ATOM 1127 CD2 LEU A 75 -10.488 4.006 -0.565 1.00 0.00 C ATOM 0 H LEU A 75 -6.924 6.477 -2.746 1.00 0.00 H new ATOM 0 HA LEU A 75 -8.834 4.549 -3.985 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -7.460 4.045 -1.860 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.425 5.260 -1.046 1.00 0.00 H new ATOM 0 HG LEU A 75 -10.106 3.412 -2.602 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -9.745 1.445 -1.137 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.276 1.829 -2.065 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -8.387 2.282 -0.347 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -11.287 3.279 -0.423 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -9.929 4.117 0.364 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -10.918 4.967 -0.847 1.00 0.00 H new ATOM 1139 N THR A 76 -11.001 5.771 -3.328 1.00 0.00 N ATOM 1140 CA THR A 76 -12.191 6.663 -3.226 1.00 0.00 C ATOM 1141 C THR A 76 -12.996 6.297 -1.978 1.00 0.00 C ATOM 1142 O THR A 76 -12.728 5.311 -1.320 1.00 0.00 O ATOM 1143 CB THR A 76 -13.067 6.487 -4.468 1.00 0.00 C ATOM 1144 OG1 THR A 76 -12.254 6.552 -5.632 1.00 0.00 O ATOM 1145 CG2 THR A 76 -14.118 7.598 -4.515 1.00 0.00 C ATOM 0 H THR A 76 -11.202 4.809 -3.601 1.00 0.00 H new ATOM 0 HA THR A 76 -11.864 7.700 -3.156 1.00 0.00 H new ATOM 0 HB THR A 76 -13.566 5.519 -4.427 1.00 0.00 H new ATOM 0 HG1 THR A 76 -12.093 5.646 -5.969 1.00 0.00 H new ATOM 0 HG21 THR A 76 -14.742 7.472 -5.400 1.00 0.00 H new ATOM 0 HG22 THR A 76 -14.741 7.548 -3.622 1.00 0.00 H new ATOM 0 HG23 THR A 76 -13.621 8.567 -4.556 1.00 0.00 H new