USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 608 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 54 CYS SG : rot -51:sc= -0.0546 USER MOD Set 1.2: A 55 ASN :FLIP amide:sc= -0.304 F(o=-2.2!,f=-0.36) USER MOD Set 2.1: A 15 THR OG1 : rot -42:sc= 0.594 USER MOD Set 2.2: A 16 SER OG : rot 180:sc=-0.00205 USER MOD Set 2.3: A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -154:sc= -0.953 (180deg=-2.24!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 117:sc= 1.15 USER MOD Single : A 7 LYS NZ :NH3+ 165:sc= 1.06 (180deg=0.802) USER MOD Single : A 28 MET CE :methyl 137:sc= -0.0872 (180deg=-0.592) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.0708) USER MOD Single : A 53 ASN : amide:sc= -2.2! C(o=-2.2!,f=-2.4!) USER MOD Single : A 57 MET CE :methyl -164:sc= -0.271 (180deg=-1.01) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl 173:sc= -0.204 (180deg=-0.282) USER MOD Single : A 64 ASN : amide:sc= -0.073 X(o=-0.073,f=-0.4) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.440 -10.388 -4.645 1.00 0.00 N ATOM 2 CA MET A 1 -5.568 -9.014 -5.179 1.00 0.00 C ATOM 3 C MET A 1 -4.437 -8.140 -4.652 1.00 0.00 C ATOM 4 O MET A 1 -4.346 -7.881 -3.453 1.00 0.00 O ATOM 5 CB MET A 1 -6.923 -8.423 -4.778 1.00 0.00 C ATOM 6 CG MET A 1 -7.192 -7.039 -5.350 1.00 0.00 C ATOM 7 SD MET A 1 -7.212 -7.015 -7.154 1.00 0.00 S ATOM 8 CE MET A 1 -7.862 -5.373 -7.451 1.00 0.00 C ATOM 0 H1 MET A 1 -6.216 -10.976 -5.010 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.529 -10.793 -4.942 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.485 -10.362 -3.606 1.00 0.00 H new ATOM 0 HA MET A 1 -5.505 -9.049 -6.267 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.713 -9.099 -5.105 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.977 -8.372 -3.691 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.150 -6.677 -4.976 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.429 -6.349 -4.991 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.361 -5.349 -8.420 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.576 -5.117 -6.668 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.045 -4.652 -7.446 1.00 0.00 H new ATOM 20 N LYS A 2 -3.562 -7.705 -5.550 1.00 0.00 N ATOM 21 CA LYS A 2 -2.415 -6.886 -5.168 1.00 0.00 C ATOM 22 C LYS A 2 -2.832 -5.446 -4.927 1.00 0.00 C ATOM 23 O LYS A 2 -3.842 -4.986 -5.460 1.00 0.00 O ATOM 24 CB LYS A 2 -1.332 -6.904 -6.252 1.00 0.00 C ATOM 25 CG LYS A 2 -0.471 -8.161 -6.282 1.00 0.00 C ATOM 26 CD LYS A 2 -1.280 -9.403 -6.605 1.00 0.00 C ATOM 27 CE LYS A 2 -0.383 -10.596 -6.884 1.00 0.00 C ATOM 28 NZ LYS A 2 -1.160 -11.770 -7.361 1.00 0.00 N ATOM 0 H LYS A 2 -3.623 -7.905 -6.548 1.00 0.00 H new ATOM 0 HA LYS A 2 -2.014 -7.312 -4.249 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -1.810 -6.786 -7.224 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -0.682 -6.040 -6.110 1.00 0.00 H new ATOM 0 HG2 LYS A 2 0.318 -8.041 -7.024 1.00 0.00 H new ATOM 0 HG3 LYS A 2 0.017 -8.288 -5.315 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -1.944 -9.633 -5.771 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -1.912 -9.211 -7.472 1.00 0.00 H new ATOM 0 HE2 LYS A 2 0.361 -10.324 -7.632 1.00 0.00 H new ATOM 0 HE3 LYS A 2 0.160 -10.863 -5.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -0.513 -12.564 -7.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -1.853 -12.045 -6.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -1.658 -11.523 -8.240 1.00 0.00 H new ATOM 42 N LEU A 3 -2.046 -4.743 -4.129 1.00 0.00 N ATOM 43 CA LEU A 3 -2.245 -3.319 -3.910 1.00 0.00 C ATOM 44 C LEU A 3 -1.985 -2.553 -5.207 1.00 0.00 C ATOM 45 O LEU A 3 -2.608 -1.528 -5.477 1.00 0.00 O ATOM 46 CB LEU A 3 -1.313 -2.835 -2.794 1.00 0.00 C ATOM 47 CG LEU A 3 -1.372 -1.339 -2.472 1.00 0.00 C ATOM 48 CD1 LEU A 3 -2.796 -0.904 -2.171 1.00 0.00 C ATOM 49 CD2 LEU A 3 -0.465 -1.014 -1.299 1.00 0.00 C ATOM 0 H LEU A 3 -1.257 -5.139 -3.618 1.00 0.00 H new ATOM 0 HA LEU A 3 -3.275 -3.136 -3.605 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -1.546 -3.391 -1.886 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -0.289 -3.087 -3.068 1.00 0.00 H new ATOM 0 HG LEU A 3 -1.025 -0.790 -3.348 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -2.811 0.162 -1.945 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -3.427 -1.100 -3.038 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -3.173 -1.461 -1.314 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -0.518 0.053 -1.083 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -0.786 -1.578 -0.423 1.00 0.00 H new ATOM 0 HD23 LEU A 3 0.562 -1.283 -1.547 1.00 0.00 H new ATOM 61 N SER A 4 -1.073 -3.078 -6.013 1.00 0.00 N ATOM 62 CA SER A 4 -0.745 -2.486 -7.300 1.00 0.00 C ATOM 63 C SER A 4 -1.801 -2.812 -8.356 1.00 0.00 C ATOM 64 O SER A 4 -1.823 -2.215 -9.432 1.00 0.00 O ATOM 65 CB SER A 4 0.615 -2.998 -7.745 1.00 0.00 C ATOM 66 OG SER A 4 0.732 -4.381 -7.464 1.00 0.00 O ATOM 0 H SER A 4 -0.543 -3.921 -5.794 1.00 0.00 H new ATOM 0 HA SER A 4 -0.721 -1.402 -7.188 1.00 0.00 H new ATOM 0 HB2 SER A 4 0.746 -2.824 -8.813 1.00 0.00 H new ATOM 0 HB3 SER A 4 1.404 -2.447 -7.233 1.00 0.00 H new ATOM 0 HG SER A 4 0.833 -4.878 -8.303 1.00 0.00 H new ATOM 72 N GLU A 5 -2.671 -3.765 -8.041 1.00 0.00 N ATOM 73 CA GLU A 5 -3.731 -4.169 -8.957 1.00 0.00 C ATOM 74 C GLU A 5 -4.965 -3.299 -8.771 1.00 0.00 C ATOM 75 O GLU A 5 -5.936 -3.411 -9.524 1.00 0.00 O ATOM 76 CB GLU A 5 -4.095 -5.637 -8.736 1.00 0.00 C ATOM 77 CG GLU A 5 -3.073 -6.613 -9.290 1.00 0.00 C ATOM 78 CD GLU A 5 -3.034 -6.617 -10.804 1.00 0.00 C ATOM 79 OE1 GLU A 5 -4.069 -6.956 -11.426 1.00 0.00 O ATOM 80 OE2 GLU A 5 -1.980 -6.284 -11.380 1.00 0.00 O ATOM 0 H GLU A 5 -2.663 -4.273 -7.157 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.364 -4.042 -9.976 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -4.211 -5.816 -7.667 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -5.061 -5.836 -9.200 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -2.086 -6.357 -8.905 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -3.304 -7.617 -8.933 1.00 0.00 H new ATOM 87 N LEU A 6 -4.929 -2.445 -7.758 1.00 0.00 N ATOM 88 CA LEU A 6 -6.028 -1.525 -7.483 1.00 0.00 C ATOM 89 C LEU A 6 -6.016 -0.349 -8.453 1.00 0.00 C ATOM 90 O LEU A 6 -5.132 -0.235 -9.303 1.00 0.00 O ATOM 91 CB LEU A 6 -5.953 -1.008 -6.044 1.00 0.00 C ATOM 92 CG LEU A 6 -6.218 -2.053 -4.961 1.00 0.00 C ATOM 93 CD1 LEU A 6 -6.073 -1.439 -3.580 1.00 0.00 C ATOM 94 CD2 LEU A 6 -7.604 -2.654 -5.130 1.00 0.00 C ATOM 0 H LEU A 6 -4.146 -2.369 -7.108 1.00 0.00 H new ATOM 0 HA LEU A 6 -6.959 -2.076 -7.616 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.964 -0.581 -5.880 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -6.673 -0.198 -5.928 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.480 -2.848 -5.064 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -6.265 -2.198 -2.822 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -5.061 -1.053 -3.458 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -6.788 -0.624 -3.467 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -7.776 -3.396 -4.351 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -8.354 -1.867 -5.053 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.677 -3.131 -6.107 1.00 0.00 H new ATOM 106 N LYS A 7 -7.011 0.513 -8.333 1.00 0.00 N ATOM 107 CA LYS A 7 -7.096 1.707 -9.158 1.00 0.00 C ATOM 108 C LYS A 7 -7.255 2.936 -8.273 1.00 0.00 C ATOM 109 O LYS A 7 -7.462 2.815 -7.065 1.00 0.00 O ATOM 110 CB LYS A 7 -8.275 1.600 -10.129 1.00 0.00 C ATOM 111 CG LYS A 7 -9.630 1.750 -9.458 1.00 0.00 C ATOM 112 CD LYS A 7 -10.758 1.278 -10.354 1.00 0.00 C ATOM 113 CE LYS A 7 -10.745 -0.236 -10.509 1.00 0.00 C ATOM 114 NZ LYS A 7 -10.946 -0.928 -9.207 1.00 0.00 N ATOM 0 H LYS A 7 -7.777 0.407 -7.667 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.177 1.802 -9.737 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -8.173 2.366 -10.898 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -8.233 0.635 -10.633 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -9.641 1.179 -8.529 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -9.790 2.795 -9.192 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -11.714 1.595 -9.936 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -10.667 1.747 -11.334 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -11.528 -0.537 -11.205 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -9.795 -0.548 -10.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -11.184 -1.926 -9.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -10.073 -0.871 -8.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -11.722 -0.471 -8.687 1.00 0.00 H new ATOM 128 N ALA A 8 -7.160 4.114 -8.872 1.00 0.00 N ATOM 129 CA ALA A 8 -7.318 5.357 -8.132 1.00 0.00 C ATOM 130 C ALA A 8 -8.741 5.490 -7.599 1.00 0.00 C ATOM 131 O ALA A 8 -9.693 5.617 -8.369 1.00 0.00 O ATOM 132 CB ALA A 8 -6.961 6.545 -9.014 1.00 0.00 C ATOM 0 H ALA A 8 -6.974 4.235 -9.868 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.638 5.341 -7.280 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -7.084 7.468 -8.448 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.926 6.456 -9.343 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -7.618 6.563 -9.884 1.00 0.00 H new ATOM 138 N GLY A 9 -8.875 5.453 -6.279 1.00 0.00 N ATOM 139 CA GLY A 9 -10.179 5.548 -5.655 1.00 0.00 C ATOM 140 C GLY A 9 -10.565 4.283 -4.914 1.00 0.00 C ATOM 141 O GLY A 9 -11.534 4.280 -4.151 1.00 0.00 O ATOM 0 H GLY A 9 -8.097 5.358 -5.626 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -10.185 6.388 -4.960 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.928 5.761 -6.418 1.00 0.00 H new ATOM 145 N ASP A 10 -9.813 3.207 -5.134 1.00 0.00 N ATOM 146 CA ASP A 10 -10.089 1.936 -4.464 1.00 0.00 C ATOM 147 C ASP A 10 -9.792 2.017 -2.974 1.00 0.00 C ATOM 148 O ASP A 10 -8.824 2.654 -2.550 1.00 0.00 O ATOM 149 CB ASP A 10 -9.280 0.781 -5.072 1.00 0.00 C ATOM 150 CG ASP A 10 -10.004 0.080 -6.204 1.00 0.00 C ATOM 151 OD1 ASP A 10 -11.224 -0.157 -6.085 1.00 0.00 O ATOM 152 OD2 ASP A 10 -9.353 -0.248 -7.218 1.00 0.00 O ATOM 0 H ASP A 10 -9.013 3.188 -5.766 1.00 0.00 H new ATOM 0 HA ASP A 10 -11.151 1.738 -4.610 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -8.329 1.166 -5.440 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -9.050 0.056 -4.291 1.00 0.00 H new ATOM 157 N ARG A 11 -10.639 1.366 -2.190 1.00 0.00 N ATOM 158 CA ARG A 11 -10.453 1.275 -0.748 1.00 0.00 C ATOM 159 C ARG A 11 -10.261 -0.183 -0.368 1.00 0.00 C ATOM 160 O ARG A 11 -11.132 -1.010 -0.635 1.00 0.00 O ATOM 161 CB ARG A 11 -11.671 1.829 -0.007 1.00 0.00 C ATOM 162 CG ARG A 11 -12.127 3.195 -0.491 1.00 0.00 C ATOM 163 CD ARG A 11 -13.404 3.630 0.209 1.00 0.00 C ATOM 164 NE ARG A 11 -14.424 2.577 0.187 1.00 0.00 N ATOM 165 CZ ARG A 11 -15.523 2.614 -0.567 1.00 0.00 C ATOM 166 NH1 ARG A 11 -15.741 3.628 -1.397 1.00 0.00 N ATOM 167 NH2 ARG A 11 -16.400 1.619 -0.509 1.00 0.00 N ATOM 0 H ARG A 11 -11.472 0.887 -2.533 1.00 0.00 H new ATOM 0 HA ARG A 11 -9.578 1.862 -0.468 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -12.497 1.125 -0.111 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -11.438 1.892 1.056 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -11.342 3.929 -0.309 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -12.292 3.165 -1.568 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -13.179 3.897 1.242 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -13.796 4.525 -0.273 1.00 0.00 H new ATOM 0 HE ARG A 11 -14.284 1.764 0.787 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -15.064 4.388 -1.462 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -16.585 3.646 -1.969 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -16.233 0.827 0.112 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -17.241 1.646 -1.085 1.00 0.00 H new ATOM 181 N ALA A 12 -9.137 -0.501 0.247 1.00 0.00 N ATOM 182 CA ALA A 12 -8.828 -1.884 0.571 1.00 0.00 C ATOM 183 C ALA A 12 -8.137 -1.992 1.923 1.00 0.00 C ATOM 184 O ALA A 12 -7.534 -1.030 2.396 1.00 0.00 O ATOM 185 CB ALA A 12 -7.950 -2.486 -0.516 1.00 0.00 C ATOM 0 H ALA A 12 -8.426 0.173 0.531 1.00 0.00 H new ATOM 0 HA ALA A 12 -9.765 -2.439 0.627 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -7.722 -3.522 -0.267 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.476 -2.449 -1.470 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -7.022 -1.918 -0.590 1.00 0.00 H new ATOM 191 N GLU A 13 -8.246 -3.156 2.548 1.00 0.00 N ATOM 192 CA GLU A 13 -7.496 -3.434 3.761 1.00 0.00 C ATOM 193 C GLU A 13 -6.376 -4.420 3.454 1.00 0.00 C ATOM 194 O GLU A 13 -6.561 -5.369 2.687 1.00 0.00 O ATOM 195 CB GLU A 13 -8.401 -3.972 4.878 1.00 0.00 C ATOM 196 CG GLU A 13 -9.152 -5.250 4.529 1.00 0.00 C ATOM 197 CD GLU A 13 -9.879 -5.841 5.723 1.00 0.00 C ATOM 198 OE1 GLU A 13 -10.752 -5.157 6.297 1.00 0.00 O ATOM 199 OE2 GLU A 13 -9.590 -7.004 6.086 1.00 0.00 O ATOM 0 H GLU A 13 -8.845 -3.920 2.235 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.066 -2.499 4.119 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -7.792 -4.155 5.764 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.125 -3.202 5.143 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -9.871 -5.040 3.737 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -8.449 -5.985 4.135 1.00 0.00 H new ATOM 206 N VAL A 14 -5.211 -4.172 4.030 1.00 0.00 N ATOM 207 CA VAL A 14 -4.046 -5.018 3.804 1.00 0.00 C ATOM 208 C VAL A 14 -4.206 -6.371 4.491 1.00 0.00 C ATOM 209 O VAL A 14 -4.516 -6.435 5.680 1.00 0.00 O ATOM 210 CB VAL A 14 -2.759 -4.340 4.320 1.00 0.00 C ATOM 211 CG1 VAL A 14 -1.539 -5.204 4.038 1.00 0.00 C ATOM 212 CG2 VAL A 14 -2.598 -2.961 3.704 1.00 0.00 C ATOM 0 H VAL A 14 -5.045 -3.388 4.661 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.965 -5.170 2.728 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.846 -4.224 5.400 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.645 -4.704 4.411 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.652 -6.167 4.537 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.445 -5.361 2.963 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.685 -2.499 4.080 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.539 -3.052 2.619 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.454 -2.341 3.970 1.00 0.00 H new ATOM 222 N THR A 15 -4.008 -7.447 3.739 1.00 0.00 N ATOM 223 CA THR A 15 -4.054 -8.787 4.304 1.00 0.00 C ATOM 224 C THR A 15 -2.646 -9.262 4.632 1.00 0.00 C ATOM 225 O THR A 15 -2.401 -9.855 5.682 1.00 0.00 O ATOM 226 CB THR A 15 -4.723 -9.791 3.341 1.00 0.00 C ATOM 227 OG1 THR A 15 -3.970 -9.901 2.125 1.00 0.00 O ATOM 228 CG2 THR A 15 -6.143 -9.359 3.015 1.00 0.00 C ATOM 0 H THR A 15 -3.814 -7.416 2.738 1.00 0.00 H new ATOM 0 HA THR A 15 -4.652 -8.740 5.214 1.00 0.00 H new ATOM 0 HB THR A 15 -4.750 -10.761 3.837 1.00 0.00 H new ATOM 0 HG1 THR A 15 -3.678 -9.010 1.839 1.00 0.00 H new ATOM 0 HG21 THR A 15 -6.596 -10.081 2.335 1.00 0.00 H new ATOM 0 HG22 THR A 15 -6.728 -9.309 3.933 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.125 -8.377 2.542 1.00 0.00 H new ATOM 236 N SER A 16 -1.719 -8.981 3.727 1.00 0.00 N ATOM 237 CA SER A 16 -0.331 -9.367 3.902 1.00 0.00 C ATOM 238 C SER A 16 0.573 -8.476 3.061 1.00 0.00 C ATOM 239 O SER A 16 0.209 -8.083 1.951 1.00 0.00 O ATOM 240 CB SER A 16 -0.143 -10.833 3.509 1.00 0.00 C ATOM 241 OG SER A 16 -0.739 -11.101 2.247 1.00 0.00 O ATOM 0 H SER A 16 -1.908 -8.482 2.858 1.00 0.00 H new ATOM 0 HA SER A 16 -0.061 -9.246 4.951 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.920 -11.070 3.471 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.586 -11.477 4.269 1.00 0.00 H new ATOM 0 HG SER A 16 -0.605 -12.044 2.015 1.00 0.00 H new ATOM 247 N VAL A 17 1.737 -8.144 3.594 1.00 0.00 N ATOM 248 CA VAL A 17 2.697 -7.327 2.872 1.00 0.00 C ATOM 249 C VAL A 17 3.999 -8.098 2.661 1.00 0.00 C ATOM 250 O VAL A 17 4.740 -8.374 3.608 1.00 0.00 O ATOM 251 CB VAL A 17 2.965 -5.984 3.599 1.00 0.00 C ATOM 252 CG1 VAL A 17 3.273 -6.201 5.074 1.00 0.00 C ATOM 253 CG2 VAL A 17 4.092 -5.217 2.925 1.00 0.00 C ATOM 0 H VAL A 17 2.040 -8.428 4.526 1.00 0.00 H new ATOM 0 HA VAL A 17 2.268 -7.091 1.898 1.00 0.00 H new ATOM 0 HB VAL A 17 2.055 -5.388 3.532 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.456 -5.239 5.553 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.426 -6.690 5.554 1.00 0.00 H new ATOM 0 HG13 VAL A 17 4.158 -6.829 5.172 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.261 -4.279 3.454 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.003 -5.815 2.947 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.821 -5.007 1.890 1.00 0.00 H new ATOM 263 N ALA A 18 4.261 -8.471 1.414 1.00 0.00 N ATOM 264 CA ALA A 18 5.473 -9.203 1.078 1.00 0.00 C ATOM 265 C ALA A 18 6.591 -8.245 0.697 1.00 0.00 C ATOM 266 O ALA A 18 6.626 -7.716 -0.417 1.00 0.00 O ATOM 267 CB ALA A 18 5.208 -10.201 -0.042 1.00 0.00 C ATOM 0 H ALA A 18 3.650 -8.278 0.620 1.00 0.00 H new ATOM 0 HA ALA A 18 5.790 -9.761 1.959 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.128 -10.737 -0.277 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.445 -10.911 0.277 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.861 -9.670 -0.928 1.00 0.00 H new ATOM 273 N ALA A 19 7.483 -8.006 1.643 1.00 0.00 N ATOM 274 CA ALA A 19 8.621 -7.130 1.433 1.00 0.00 C ATOM 275 C ALA A 19 9.708 -7.462 2.439 1.00 0.00 C ATOM 276 O ALA A 19 9.446 -8.144 3.430 1.00 0.00 O ATOM 277 CB ALA A 19 8.206 -5.671 1.568 1.00 0.00 C ATOM 0 H ALA A 19 7.438 -8.414 2.577 1.00 0.00 H new ATOM 0 HA ALA A 19 9.004 -7.283 0.424 1.00 0.00 H new ATOM 0 HB1 ALA A 19 9.073 -5.030 1.407 1.00 0.00 H new ATOM 0 HB2 ALA A 19 7.441 -5.440 0.826 1.00 0.00 H new ATOM 0 HB3 ALA A 19 7.807 -5.497 2.567 1.00 0.00 H new ATOM 283 N GLU A 20 10.918 -6.988 2.180 1.00 0.00 N ATOM 284 CA GLU A 20 12.030 -7.198 3.095 1.00 0.00 C ATOM 285 C GLU A 20 11.738 -6.526 4.433 1.00 0.00 C ATOM 286 O GLU A 20 11.110 -5.467 4.472 1.00 0.00 O ATOM 287 CB GLU A 20 13.327 -6.651 2.493 1.00 0.00 C ATOM 288 CG GLU A 20 13.680 -7.269 1.148 1.00 0.00 C ATOM 289 CD GLU A 20 13.759 -8.781 1.208 1.00 0.00 C ATOM 290 OE1 GLU A 20 14.823 -9.310 1.587 1.00 0.00 O ATOM 291 OE2 GLU A 20 12.751 -9.449 0.896 1.00 0.00 O ATOM 0 H GLU A 20 11.155 -6.455 1.343 1.00 0.00 H new ATOM 0 HA GLU A 20 12.153 -8.268 3.260 1.00 0.00 H new ATOM 0 HB2 GLU A 20 13.236 -5.571 2.375 1.00 0.00 H new ATOM 0 HB3 GLU A 20 14.145 -6.828 3.191 1.00 0.00 H new ATOM 0 HG2 GLU A 20 12.933 -6.976 0.410 1.00 0.00 H new ATOM 0 HG3 GLU A 20 14.637 -6.871 0.809 1.00 0.00 H new ATOM 298 N PRO A 21 12.185 -7.141 5.543 1.00 0.00 N ATOM 299 CA PRO A 21 11.898 -6.671 6.904 1.00 0.00 C ATOM 300 C PRO A 21 12.129 -5.172 7.097 1.00 0.00 C ATOM 301 O PRO A 21 11.271 -4.477 7.636 1.00 0.00 O ATOM 302 CB PRO A 21 12.860 -7.479 7.790 1.00 0.00 C ATOM 303 CG PRO A 21 13.743 -8.245 6.857 1.00 0.00 C ATOM 304 CD PRO A 21 12.999 -8.361 5.562 1.00 0.00 C ATOM 0 HA PRO A 21 10.845 -6.817 7.147 1.00 0.00 H new ATOM 0 HB2 PRO A 21 13.448 -6.820 8.429 1.00 0.00 H new ATOM 0 HB3 PRO A 21 12.311 -8.153 8.447 1.00 0.00 H new ATOM 0 HG2 PRO A 21 14.693 -7.731 6.713 1.00 0.00 H new ATOM 0 HG3 PRO A 21 13.972 -9.231 7.262 1.00 0.00 H new ATOM 0 HD2 PRO A 21 13.676 -8.408 4.709 1.00 0.00 H new ATOM 0 HD3 PRO A 21 12.382 -9.259 5.529 1.00 0.00 H new ATOM 312 N ALA A 22 13.280 -4.676 6.648 1.00 0.00 N ATOM 313 CA ALA A 22 13.617 -3.259 6.794 1.00 0.00 C ATOM 314 C ALA A 22 12.587 -2.359 6.115 1.00 0.00 C ATOM 315 O ALA A 22 12.222 -1.306 6.640 1.00 0.00 O ATOM 316 CB ALA A 22 14.999 -2.986 6.229 1.00 0.00 C ATOM 0 H ALA A 22 13.995 -5.233 6.180 1.00 0.00 H new ATOM 0 HA ALA A 22 13.610 -3.028 7.859 1.00 0.00 H new ATOM 0 HB1 ALA A 22 15.237 -1.928 6.344 1.00 0.00 H new ATOM 0 HB2 ALA A 22 15.736 -3.584 6.765 1.00 0.00 H new ATOM 0 HB3 ALA A 22 15.018 -3.249 5.171 1.00 0.00 H new ATOM 322 N VAL A 23 12.126 -2.777 4.947 1.00 0.00 N ATOM 323 CA VAL A 23 11.137 -2.018 4.197 1.00 0.00 C ATOM 324 C VAL A 23 9.761 -2.175 4.836 1.00 0.00 C ATOM 325 O VAL A 23 9.033 -1.199 5.027 1.00 0.00 O ATOM 326 CB VAL A 23 11.085 -2.484 2.727 1.00 0.00 C ATOM 327 CG1 VAL A 23 10.019 -1.725 1.949 1.00 0.00 C ATOM 328 CG2 VAL A 23 12.447 -2.325 2.066 1.00 0.00 C ATOM 0 H VAL A 23 12.423 -3.642 4.496 1.00 0.00 H new ATOM 0 HA VAL A 23 11.427 -0.968 4.218 1.00 0.00 H new ATOM 0 HB VAL A 23 10.818 -3.541 2.718 1.00 0.00 H new ATOM 0 HG11 VAL A 23 10.005 -2.074 0.916 1.00 0.00 H new ATOM 0 HG12 VAL A 23 9.044 -1.898 2.404 1.00 0.00 H new ATOM 0 HG13 VAL A 23 10.244 -0.659 1.969 1.00 0.00 H new ATOM 0 HG21 VAL A 23 12.390 -2.659 1.030 1.00 0.00 H new ATOM 0 HG22 VAL A 23 12.745 -1.277 2.094 1.00 0.00 H new ATOM 0 HG23 VAL A 23 13.183 -2.925 2.601 1.00 0.00 H new ATOM 338 N ARG A 24 9.433 -3.414 5.188 1.00 0.00 N ATOM 339 CA ARG A 24 8.151 -3.741 5.800 1.00 0.00 C ATOM 340 C ARG A 24 7.970 -2.987 7.112 1.00 0.00 C ATOM 341 O ARG A 24 6.891 -2.473 7.394 1.00 0.00 O ATOM 342 CB ARG A 24 8.058 -5.251 6.039 1.00 0.00 C ATOM 343 CG ARG A 24 6.753 -5.699 6.681 1.00 0.00 C ATOM 344 CD ARG A 24 6.696 -7.212 6.828 1.00 0.00 C ATOM 345 NE ARG A 24 7.771 -7.730 7.671 1.00 0.00 N ATOM 346 CZ ARG A 24 8.630 -8.673 7.284 1.00 0.00 C ATOM 347 NH1 ARG A 24 8.578 -9.162 6.054 1.00 0.00 N ATOM 348 NH2 ARG A 24 9.554 -9.112 8.122 1.00 0.00 N ATOM 0 H ARG A 24 10.047 -4.218 5.057 1.00 0.00 H new ATOM 0 HA ARG A 24 7.355 -3.437 5.121 1.00 0.00 H new ATOM 0 HB2 ARG A 24 8.178 -5.767 5.086 1.00 0.00 H new ATOM 0 HB3 ARG A 24 8.888 -5.559 6.675 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.649 -5.233 7.661 1.00 0.00 H new ATOM 0 HG3 ARG A 24 5.913 -5.359 6.076 1.00 0.00 H new ATOM 0 HD2 ARG A 24 5.734 -7.497 7.254 1.00 0.00 H new ATOM 0 HD3 ARG A 24 6.757 -7.673 5.842 1.00 0.00 H new ATOM 0 HE ARG A 24 7.870 -7.347 8.611 1.00 0.00 H new ATOM 0 HH11 ARG A 24 7.878 -8.817 5.397 1.00 0.00 H new ATOM 0 HH12 ARG A 24 9.238 -9.883 5.764 1.00 0.00 H new ATOM 0 HH21 ARG A 24 9.610 -8.729 9.066 1.00 0.00 H new ATOM 0 HH22 ARG A 24 10.211 -9.834 7.825 1.00 0.00 H new ATOM 362 N ARG A 25 9.039 -2.909 7.900 1.00 0.00 N ATOM 363 CA ARG A 25 8.994 -2.224 9.185 1.00 0.00 C ATOM 364 C ARG A 25 8.565 -0.768 9.014 1.00 0.00 C ATOM 365 O ARG A 25 7.716 -0.280 9.759 1.00 0.00 O ATOM 366 CB ARG A 25 10.352 -2.294 9.889 1.00 0.00 C ATOM 367 CG ARG A 25 10.376 -1.553 11.216 1.00 0.00 C ATOM 368 CD ARG A 25 9.366 -2.133 12.194 1.00 0.00 C ATOM 369 NE ARG A 25 8.849 -1.118 13.106 1.00 0.00 N ATOM 370 CZ ARG A 25 8.436 -1.364 14.345 1.00 0.00 C ATOM 371 NH1 ARG A 25 8.514 -2.592 14.846 1.00 0.00 N ATOM 372 NH2 ARG A 25 7.935 -0.382 15.080 1.00 0.00 N ATOM 0 H ARG A 25 9.947 -3.313 7.669 1.00 0.00 H new ATOM 0 HA ARG A 25 8.255 -2.731 9.805 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.613 -3.339 10.059 1.00 0.00 H new ATOM 0 HB3 ARG A 25 11.116 -1.877 9.233 1.00 0.00 H new ATOM 0 HG2 ARG A 25 11.376 -1.608 11.647 1.00 0.00 H new ATOM 0 HG3 ARG A 25 10.159 -0.498 11.049 1.00 0.00 H new ATOM 0 HD2 ARG A 25 8.540 -2.579 11.641 1.00 0.00 H new ATOM 0 HD3 ARG A 25 9.834 -2.933 12.768 1.00 0.00 H new ATOM 0 HE ARG A 25 8.801 -0.156 12.770 1.00 0.00 H new ATOM 0 HH11 ARG A 25 8.892 -3.351 14.279 1.00 0.00 H new ATOM 0 HH12 ARG A 25 8.196 -2.776 15.797 1.00 0.00 H new ATOM 0 HH21 ARG A 25 7.867 0.560 14.695 1.00 0.00 H new ATOM 0 HH22 ARG A 25 7.617 -0.568 16.031 1.00 0.00 H new ATOM 386 N ARG A 26 9.139 -0.090 8.025 1.00 0.00 N ATOM 387 CA ARG A 26 8.792 1.301 7.753 1.00 0.00 C ATOM 388 C ARG A 26 7.305 1.431 7.456 1.00 0.00 C ATOM 389 O ARG A 26 6.635 2.332 7.962 1.00 0.00 O ATOM 390 CB ARG A 26 9.602 1.842 6.574 1.00 0.00 C ATOM 391 CG ARG A 26 11.088 1.965 6.851 1.00 0.00 C ATOM 392 CD ARG A 26 11.811 2.572 5.663 1.00 0.00 C ATOM 393 NE ARG A 26 13.242 2.744 5.902 1.00 0.00 N ATOM 394 CZ ARG A 26 14.005 3.604 5.228 1.00 0.00 C ATOM 395 NH1 ARG A 26 13.460 4.416 4.330 1.00 0.00 N ATOM 396 NH2 ARG A 26 15.307 3.668 5.474 1.00 0.00 N ATOM 0 H ARG A 26 9.845 -0.480 7.400 1.00 0.00 H new ATOM 0 HA ARG A 26 9.031 1.886 8.641 1.00 0.00 H new ATOM 0 HB2 ARG A 26 9.456 1.187 5.715 1.00 0.00 H new ATOM 0 HB3 ARG A 26 9.212 2.822 6.298 1.00 0.00 H new ATOM 0 HG2 ARG A 26 11.248 2.584 7.734 1.00 0.00 H new ATOM 0 HG3 ARG A 26 11.504 0.982 7.071 1.00 0.00 H new ATOM 0 HD2 ARG A 26 11.666 1.935 4.791 1.00 0.00 H new ATOM 0 HD3 ARG A 26 11.367 3.539 5.428 1.00 0.00 H new ATOM 0 HE ARG A 26 13.682 2.174 6.625 1.00 0.00 H new ATOM 0 HH11 ARG A 26 12.456 4.382 4.155 1.00 0.00 H new ATOM 0 HH12 ARG A 26 14.046 5.074 3.815 1.00 0.00 H new ATOM 0 HH21 ARG A 26 15.723 3.059 6.179 1.00 0.00 H new ATOM 0 HH22 ARG A 26 15.892 4.326 4.959 1.00 0.00 H new ATOM 410 N LEU A 27 6.792 0.512 6.650 1.00 0.00 N ATOM 411 CA LEU A 27 5.379 0.507 6.294 1.00 0.00 C ATOM 412 C LEU A 27 4.517 0.261 7.528 1.00 0.00 C ATOM 413 O LEU A 27 3.471 0.889 7.706 1.00 0.00 O ATOM 414 CB LEU A 27 5.101 -0.565 5.235 1.00 0.00 C ATOM 415 CG LEU A 27 5.900 -0.416 3.938 1.00 0.00 C ATOM 416 CD1 LEU A 27 5.627 -1.584 3.006 1.00 0.00 C ATOM 417 CD2 LEU A 27 5.573 0.903 3.252 1.00 0.00 C ATOM 0 H LEU A 27 7.335 -0.242 6.229 1.00 0.00 H new ATOM 0 HA LEU A 27 5.125 1.483 5.881 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.315 -1.543 5.665 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.038 -0.548 4.993 1.00 0.00 H new ATOM 0 HG LEU A 27 6.961 -0.416 4.189 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.204 -1.461 2.089 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.916 -2.515 3.494 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.565 -1.616 2.765 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.152 0.988 2.332 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.509 0.936 3.016 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.823 1.730 3.916 1.00 0.00 H new ATOM 429 N MET A 28 4.984 -0.632 8.396 1.00 0.00 N ATOM 430 CA MET A 28 4.251 -0.986 9.606 1.00 0.00 C ATOM 431 C MET A 28 4.204 0.200 10.556 1.00 0.00 C ATOM 432 O MET A 28 3.187 0.454 11.200 1.00 0.00 O ATOM 433 CB MET A 28 4.894 -2.188 10.304 1.00 0.00 C ATOM 434 CG MET A 28 4.871 -3.466 9.481 1.00 0.00 C ATOM 435 SD MET A 28 5.670 -4.849 10.320 1.00 0.00 S ATOM 436 CE MET A 28 4.590 -5.051 11.737 1.00 0.00 C ATOM 0 H MET A 28 5.870 -1.125 8.283 1.00 0.00 H new ATOM 0 HA MET A 28 3.235 -1.257 9.320 1.00 0.00 H new ATOM 0 HB2 MET A 28 5.928 -1.943 10.548 1.00 0.00 H new ATOM 0 HB3 MET A 28 4.378 -2.366 11.247 1.00 0.00 H new ATOM 0 HG2 MET A 28 3.838 -3.730 9.257 1.00 0.00 H new ATOM 0 HG3 MET A 28 5.369 -3.288 8.528 1.00 0.00 H new ATOM 0 HE1 MET A 28 4.401 -6.112 11.902 1.00 0.00 H new ATOM 0 HE2 MET A 28 5.066 -4.625 12.621 1.00 0.00 H new ATOM 0 HE3 MET A 28 3.646 -4.539 11.551 1.00 0.00 H new ATOM 446 N ASP A 29 5.311 0.930 10.623 1.00 0.00 N ATOM 447 CA ASP A 29 5.398 2.120 11.456 1.00 0.00 C ATOM 448 C ASP A 29 4.458 3.208 10.957 1.00 0.00 C ATOM 449 O ASP A 29 3.907 3.970 11.751 1.00 0.00 O ATOM 450 CB ASP A 29 6.826 2.659 11.501 1.00 0.00 C ATOM 451 CG ASP A 29 7.707 1.906 12.475 1.00 0.00 C ATOM 452 OD1 ASP A 29 7.386 1.876 13.683 1.00 0.00 O ATOM 453 OD2 ASP A 29 8.741 1.356 12.045 1.00 0.00 O ATOM 0 H ASP A 29 6.164 0.716 10.107 1.00 0.00 H new ATOM 0 HA ASP A 29 5.100 1.831 12.464 1.00 0.00 H new ATOM 0 HB2 ASP A 29 7.263 2.602 10.504 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.803 3.713 11.779 1.00 0.00 H new ATOM 458 N LEU A 30 4.279 3.281 9.643 1.00 0.00 N ATOM 459 CA LEU A 30 3.350 4.239 9.056 1.00 0.00 C ATOM 460 C LEU A 30 1.918 3.853 9.400 1.00 0.00 C ATOM 461 O LEU A 30 1.082 4.707 9.688 1.00 0.00 O ATOM 462 CB LEU A 30 3.524 4.301 7.535 1.00 0.00 C ATOM 463 CG LEU A 30 4.902 4.759 7.054 1.00 0.00 C ATOM 464 CD1 LEU A 30 4.982 4.701 5.536 1.00 0.00 C ATOM 465 CD2 LEU A 30 5.206 6.164 7.555 1.00 0.00 C ATOM 0 H LEU A 30 4.763 2.691 8.966 1.00 0.00 H new ATOM 0 HA LEU A 30 3.565 5.225 9.468 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.323 3.312 7.122 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.772 4.976 7.127 1.00 0.00 H new ATOM 0 HG LEU A 30 5.652 4.082 7.464 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.969 5.030 5.211 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.812 3.678 5.202 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.222 5.354 5.106 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.190 6.471 7.202 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.453 6.856 7.177 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.192 6.173 8.645 1.00 0.00 H new ATOM 477 N GLY A 31 1.649 2.555 9.374 1.00 0.00 N ATOM 478 CA GLY A 31 0.334 2.061 9.717 1.00 0.00 C ATOM 479 C GLY A 31 -0.069 0.873 8.874 1.00 0.00 C ATOM 480 O GLY A 31 -1.067 0.213 9.154 1.00 0.00 O ATOM 0 H GLY A 31 2.323 1.833 9.120 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.317 1.779 10.770 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -0.397 2.860 9.589 1.00 0.00 H new ATOM 484 N LEU A 32 0.719 0.594 7.845 1.00 0.00 N ATOM 485 CA LEU A 32 0.403 -0.460 6.892 1.00 0.00 C ATOM 486 C LEU A 32 0.651 -1.835 7.513 1.00 0.00 C ATOM 487 O LEU A 32 1.776 -2.337 7.514 1.00 0.00 O ATOM 488 CB LEU A 32 1.238 -0.270 5.615 1.00 0.00 C ATOM 489 CG LEU A 32 0.704 -0.949 4.345 1.00 0.00 C ATOM 490 CD1 LEU A 32 1.335 -0.322 3.111 1.00 0.00 C ATOM 491 CD2 LEU A 32 0.990 -2.443 4.364 1.00 0.00 C ATOM 0 H LEU A 32 1.589 1.088 7.648 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.653 -0.401 6.628 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.326 0.799 5.420 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.244 -0.644 5.805 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.376 -0.804 4.313 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.949 -0.811 2.217 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.091 0.740 3.078 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.417 -0.445 3.153 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.602 -2.899 3.454 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.066 -2.607 4.421 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.508 -2.895 5.231 1.00 0.00 H new ATOM 503 N VAL A 33 -0.408 -2.410 8.074 1.00 0.00 N ATOM 504 CA VAL A 33 -0.367 -3.746 8.665 1.00 0.00 C ATOM 505 C VAL A 33 -1.641 -4.501 8.299 1.00 0.00 C ATOM 506 O VAL A 33 -2.514 -3.947 7.625 1.00 0.00 O ATOM 507 CB VAL A 33 -0.240 -3.694 10.209 1.00 0.00 C ATOM 508 CG1 VAL A 33 1.090 -3.087 10.629 1.00 0.00 C ATOM 509 CG2 VAL A 33 -1.398 -2.918 10.821 1.00 0.00 C ATOM 0 H VAL A 33 -1.323 -1.962 8.132 1.00 0.00 H new ATOM 0 HA VAL A 33 0.512 -4.255 8.269 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.277 -4.718 10.581 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.152 -3.063 11.717 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.907 -3.690 10.232 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.166 -2.072 10.239 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.288 -2.895 11.905 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.398 -1.899 10.434 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.339 -3.404 10.562 1.00 0.00 H new ATOM 519 N ARG A 34 -1.753 -5.751 8.735 1.00 0.00 N ATOM 520 CA ARG A 34 -2.963 -6.534 8.490 1.00 0.00 C ATOM 521 C ARG A 34 -4.190 -5.824 9.065 1.00 0.00 C ATOM 522 O ARG A 34 -4.267 -5.565 10.270 1.00 0.00 O ATOM 523 CB ARG A 34 -2.843 -7.932 9.107 1.00 0.00 C ATOM 524 CG ARG A 34 -4.065 -8.809 8.859 1.00 0.00 C ATOM 525 CD ARG A 34 -4.021 -10.098 9.669 1.00 0.00 C ATOM 526 NE ARG A 34 -2.909 -10.965 9.275 1.00 0.00 N ATOM 527 CZ ARG A 34 -2.186 -11.682 10.133 1.00 0.00 C ATOM 528 NH1 ARG A 34 -2.445 -11.623 11.431 1.00 0.00 N ATOM 529 NH2 ARG A 34 -1.204 -12.459 9.690 1.00 0.00 N ATOM 0 H ARG A 34 -1.027 -6.243 9.256 1.00 0.00 H new ATOM 0 HA ARG A 34 -3.081 -6.634 7.411 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -1.961 -8.427 8.700 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -2.686 -7.835 10.181 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -4.967 -8.253 9.113 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.128 -9.050 7.798 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -3.932 -9.856 10.728 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -4.961 -10.636 9.543 1.00 0.00 H new ATOM 0 HE ARG A 34 -2.674 -11.023 8.284 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.199 -11.028 11.774 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -1.890 -12.173 12.087 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -1.003 -12.507 8.691 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -0.651 -13.008 10.349 1.00 0.00 H new ATOM 543 N GLY A 35 -5.135 -5.498 8.193 1.00 0.00 N ATOM 544 CA GLY A 35 -6.369 -4.874 8.627 1.00 0.00 C ATOM 545 C GLY A 35 -6.392 -3.375 8.398 1.00 0.00 C ATOM 546 O GLY A 35 -7.442 -2.744 8.530 1.00 0.00 O ATOM 0 H GLY A 35 -5.068 -5.656 7.188 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.205 -5.329 8.096 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.517 -5.075 9.688 1.00 0.00 H new ATOM 550 N ALA A 36 -5.242 -2.804 8.052 1.00 0.00 N ATOM 551 CA ALA A 36 -5.139 -1.372 7.826 1.00 0.00 C ATOM 552 C ALA A 36 -5.897 -0.959 6.575 1.00 0.00 C ATOM 553 O ALA A 36 -5.690 -1.524 5.498 1.00 0.00 O ATOM 554 CB ALA A 36 -3.681 -0.962 7.718 1.00 0.00 C ATOM 0 H ALA A 36 -4.369 -3.315 7.923 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.589 -0.861 8.677 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.617 0.113 7.549 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.162 -1.215 8.643 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.216 -1.489 6.885 1.00 0.00 H new ATOM 560 N LYS A 37 -6.777 0.021 6.724 1.00 0.00 N ATOM 561 CA LYS A 37 -7.557 0.523 5.605 1.00 0.00 C ATOM 562 C LYS A 37 -6.757 1.561 4.831 1.00 0.00 C ATOM 563 O LYS A 37 -6.142 2.454 5.425 1.00 0.00 O ATOM 564 CB LYS A 37 -8.864 1.151 6.094 1.00 0.00 C ATOM 565 CG LYS A 37 -9.731 0.214 6.917 1.00 0.00 C ATOM 566 CD LYS A 37 -10.996 0.908 7.386 1.00 0.00 C ATOM 567 CE LYS A 37 -11.838 -0.002 8.261 1.00 0.00 C ATOM 568 NZ LYS A 37 -13.064 0.681 8.747 1.00 0.00 N ATOM 0 H LYS A 37 -6.968 0.485 7.612 1.00 0.00 H new ATOM 0 HA LYS A 37 -7.791 -0.317 4.952 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.630 2.032 6.692 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.435 1.494 5.231 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.992 -0.661 6.322 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.168 -0.144 7.779 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.734 1.808 7.942 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.580 1.226 6.522 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -12.117 -0.892 7.697 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.246 -0.337 9.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -13.613 0.027 9.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -12.797 1.516 9.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -13.641 0.978 7.934 1.00 0.00 H new ATOM 582 N LEU A 38 -6.743 1.432 3.516 1.00 0.00 N ATOM 583 CA LEU A 38 -6.087 2.411 2.669 1.00 0.00 C ATOM 584 C LEU A 38 -6.926 2.735 1.437 1.00 0.00 C ATOM 585 O LEU A 38 -7.732 1.919 0.982 1.00 0.00 O ATOM 586 CB LEU A 38 -4.681 1.930 2.264 1.00 0.00 C ATOM 587 CG LEU A 38 -4.575 0.500 1.708 1.00 0.00 C ATOM 588 CD1 LEU A 38 -5.094 0.414 0.280 1.00 0.00 C ATOM 589 CD2 LEU A 38 -3.134 0.022 1.772 1.00 0.00 C ATOM 0 H LEU A 38 -7.178 0.659 3.012 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.981 3.329 3.246 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.289 2.617 1.514 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.031 2.005 3.136 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.198 -0.146 2.327 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.003 -0.611 -0.079 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.141 0.716 0.255 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.510 1.076 -0.360 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.069 -0.992 1.376 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.504 0.685 1.178 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.794 0.030 2.808 1.00 0.00 H new ATOM 601 N LYS A 39 -6.751 3.942 0.925 1.00 0.00 N ATOM 602 CA LYS A 39 -7.346 4.334 -0.339 1.00 0.00 C ATOM 603 C LYS A 39 -6.247 4.692 -1.326 1.00 0.00 C ATOM 604 O LYS A 39 -5.353 5.474 -1.003 1.00 0.00 O ATOM 605 CB LYS A 39 -8.282 5.537 -0.171 1.00 0.00 C ATOM 606 CG LYS A 39 -8.912 5.982 -1.484 1.00 0.00 C ATOM 607 CD LYS A 39 -9.524 7.377 -1.410 1.00 0.00 C ATOM 608 CE LYS A 39 -10.699 7.449 -0.447 1.00 0.00 C ATOM 609 NZ LYS A 39 -10.290 7.912 0.907 1.00 0.00 N ATOM 0 H LYS A 39 -6.196 4.672 1.371 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.932 3.493 -0.710 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -9.070 5.282 0.537 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.724 6.369 0.259 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.155 5.965 -2.268 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -9.684 5.268 -1.771 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.760 8.089 -1.099 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -9.855 7.678 -2.404 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -11.454 8.126 -0.848 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -11.162 6.466 -0.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -10.838 7.401 1.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -9.276 7.726 1.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -10.470 8.933 0.994 1.00 0.00 H new ATOM 623 N VAL A 40 -6.303 4.115 -2.512 1.00 0.00 N ATOM 624 CA VAL A 40 -5.360 4.462 -3.561 1.00 0.00 C ATOM 625 C VAL A 40 -5.712 5.833 -4.115 1.00 0.00 C ATOM 626 O VAL A 40 -6.791 6.026 -4.669 1.00 0.00 O ATOM 627 CB VAL A 40 -5.360 3.426 -4.702 1.00 0.00 C ATOM 628 CG1 VAL A 40 -4.326 3.788 -5.756 1.00 0.00 C ATOM 629 CG2 VAL A 40 -5.105 2.032 -4.156 1.00 0.00 C ATOM 0 H VAL A 40 -6.989 3.406 -2.773 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.360 4.472 -3.127 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.343 3.435 -5.173 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -4.342 3.044 -6.552 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.558 4.769 -6.171 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.336 3.811 -5.301 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.109 1.314 -4.976 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.136 2.008 -3.657 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -5.887 1.772 -3.443 1.00 0.00 H new ATOM 639 N LEU A 41 -4.809 6.784 -3.950 1.00 0.00 N ATOM 640 CA LEU A 41 -5.081 8.160 -4.326 1.00 0.00 C ATOM 641 C LEU A 41 -4.724 8.415 -5.781 1.00 0.00 C ATOM 642 O LEU A 41 -5.575 8.819 -6.575 1.00 0.00 O ATOM 643 CB LEU A 41 -4.304 9.122 -3.426 1.00 0.00 C ATOM 644 CG LEU A 41 -4.697 9.090 -1.950 1.00 0.00 C ATOM 645 CD1 LEU A 41 -3.840 10.063 -1.155 1.00 0.00 C ATOM 646 CD2 LEU A 41 -6.175 9.416 -1.780 1.00 0.00 C ATOM 0 H LEU A 41 -3.880 6.628 -3.558 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.150 8.333 -4.200 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.241 8.893 -3.508 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.442 10.136 -3.801 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.525 8.084 -1.568 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.131 10.030 -0.105 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.790 9.785 -1.250 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.984 11.073 -1.540 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.434 9.388 -0.722 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.376 10.411 -2.177 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.774 8.683 -2.320 1.00 0.00 H new ATOM 658 N ARG A 42 -3.472 8.167 -6.137 1.00 0.00 N ATOM 659 CA ARG A 42 -2.991 8.524 -7.458 1.00 0.00 C ATOM 660 C ARG A 42 -1.810 7.656 -7.856 1.00 0.00 C ATOM 661 O ARG A 42 -1.146 7.053 -7.013 1.00 0.00 O ATOM 662 CB ARG A 42 -2.596 10.007 -7.479 1.00 0.00 C ATOM 663 CG ARG A 42 -2.080 10.517 -8.819 1.00 0.00 C ATOM 664 CD ARG A 42 -1.717 11.992 -8.747 1.00 0.00 C ATOM 665 NE ARG A 42 -0.822 12.281 -7.626 1.00 0.00 N ATOM 666 CZ ARG A 42 -0.808 13.435 -6.964 1.00 0.00 C ATOM 667 NH1 ARG A 42 -1.584 14.441 -7.353 1.00 0.00 N ATOM 668 NH2 ARG A 42 -0.002 13.584 -5.918 1.00 0.00 N ATOM 0 H ARG A 42 -2.779 7.724 -5.534 1.00 0.00 H new ATOM 0 HA ARG A 42 -3.790 8.355 -8.180 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -3.462 10.602 -7.190 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.828 10.174 -6.724 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -1.205 9.939 -9.118 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -2.840 10.364 -9.585 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -1.240 12.294 -9.679 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -2.626 12.585 -8.647 1.00 0.00 H new ATOM 0 HE ARG A 42 -0.169 11.554 -7.334 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -2.194 14.331 -8.163 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -1.569 15.324 -6.842 1.00 0.00 H new ATOM 0 HH21 ARG A 42 0.602 12.816 -5.626 1.00 0.00 H new ATOM 0 HH22 ARG A 42 0.013 14.467 -5.407 1.00 0.00 H new ATOM 682 N PHE A 43 -1.573 7.596 -9.149 1.00 0.00 N ATOM 683 CA PHE A 43 -0.429 6.899 -9.697 1.00 0.00 C ATOM 684 C PHE A 43 0.468 7.898 -10.405 1.00 0.00 C ATOM 685 O PHE A 43 -0.009 8.916 -10.913 1.00 0.00 O ATOM 686 CB PHE A 43 -0.868 5.819 -10.694 1.00 0.00 C ATOM 687 CG PHE A 43 -1.704 4.719 -10.099 1.00 0.00 C ATOM 688 CD1 PHE A 43 -3.085 4.828 -10.043 1.00 0.00 C ATOM 689 CD2 PHE A 43 -1.106 3.568 -9.613 1.00 0.00 C ATOM 690 CE1 PHE A 43 -3.852 3.811 -9.510 1.00 0.00 C ATOM 691 CE2 PHE A 43 -1.870 2.549 -9.075 1.00 0.00 C ATOM 692 CZ PHE A 43 -3.244 2.669 -9.024 1.00 0.00 C ATOM 0 H PHE A 43 -2.170 8.031 -9.852 1.00 0.00 H new ATOM 0 HA PHE A 43 0.108 6.417 -8.880 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.433 6.293 -11.497 1.00 0.00 H new ATOM 0 HB3 PHE A 43 0.020 5.378 -11.146 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -3.566 5.718 -10.420 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -0.032 3.465 -9.655 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.927 3.908 -9.473 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -1.391 1.659 -8.694 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.842 1.873 -8.606 1.00 0.00 H new ATOM 702 N ALA A 44 1.759 7.624 -10.421 1.00 0.00 N ATOM 703 CA ALA A 44 2.691 8.436 -11.181 1.00 0.00 C ATOM 704 C ALA A 44 2.441 8.238 -12.677 1.00 0.00 C ATOM 705 O ALA A 44 1.728 7.310 -13.061 1.00 0.00 O ATOM 706 CB ALA A 44 4.121 8.077 -10.809 1.00 0.00 C ATOM 0 H ALA A 44 2.186 6.847 -9.917 1.00 0.00 H new ATOM 0 HA ALA A 44 2.538 9.488 -10.943 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.812 8.692 -11.385 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.276 8.256 -9.745 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.301 7.025 -11.030 1.00 0.00 H new ATOM 712 N PRO A 45 3.007 9.104 -13.540 1.00 0.00 N ATOM 713 CA PRO A 45 2.850 9.015 -15.008 1.00 0.00 C ATOM 714 C PRO A 45 3.326 7.684 -15.613 1.00 0.00 C ATOM 715 O PRO A 45 3.360 7.530 -16.836 1.00 0.00 O ATOM 716 CB PRO A 45 3.709 10.173 -15.538 1.00 0.00 C ATOM 717 CG PRO A 45 4.604 10.547 -14.409 1.00 0.00 C ATOM 718 CD PRO A 45 3.821 10.268 -13.163 1.00 0.00 C ATOM 0 HA PRO A 45 1.797 9.071 -15.282 1.00 0.00 H new ATOM 0 HB2 PRO A 45 4.285 9.868 -16.412 1.00 0.00 H new ATOM 0 HB3 PRO A 45 3.088 11.015 -15.844 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.526 9.966 -14.431 1.00 0.00 H new ATOM 0 HG3 PRO A 45 4.888 11.598 -14.466 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.473 10.048 -12.317 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.202 11.118 -12.876 1.00 0.00 H new ATOM 726 N LEU A 46 3.677 6.729 -14.762 1.00 0.00 N ATOM 727 CA LEU A 46 4.187 5.438 -15.205 1.00 0.00 C ATOM 728 C LEU A 46 3.452 4.305 -14.491 1.00 0.00 C ATOM 729 O LEU A 46 3.714 3.128 -14.738 1.00 0.00 O ATOM 730 CB LEU A 46 5.677 5.324 -14.876 1.00 0.00 C ATOM 731 CG LEU A 46 6.552 6.494 -15.320 1.00 0.00 C ATOM 732 CD1 LEU A 46 7.929 6.388 -14.689 1.00 0.00 C ATOM 733 CD2 LEU A 46 6.664 6.528 -16.833 1.00 0.00 C ATOM 0 H LEU A 46 3.617 6.827 -13.748 1.00 0.00 H new ATOM 0 HA LEU A 46 4.031 5.362 -16.281 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.783 5.206 -13.798 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.062 4.414 -15.336 1.00 0.00 H new ATOM 0 HG LEU A 46 6.087 7.422 -14.988 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.543 7.228 -15.013 1.00 0.00 H new ATOM 0 HD12 LEU A 46 7.834 6.406 -13.603 1.00 0.00 H new ATOM 0 HD13 LEU A 46 8.399 5.454 -14.997 1.00 0.00 H new ATOM 0 HD21 LEU A 46 7.291 7.368 -17.133 1.00 0.00 H new ATOM 0 HD22 LEU A 46 7.110 5.598 -17.186 1.00 0.00 H new ATOM 0 HD23 LEU A 46 5.672 6.643 -17.269 1.00 0.00 H new ATOM 745 N GLY A 47 2.529 4.667 -13.605 1.00 0.00 N ATOM 746 CA GLY A 47 1.880 3.679 -12.762 1.00 0.00 C ATOM 747 C GLY A 47 2.721 3.371 -11.539 1.00 0.00 C ATOM 748 O GLY A 47 2.304 2.636 -10.647 1.00 0.00 O ATOM 0 H GLY A 47 2.219 5.627 -13.456 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.902 4.047 -12.452 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.711 2.765 -13.331 1.00 0.00 H new ATOM 752 N ASP A 48 3.909 3.959 -11.515 1.00 0.00 N ATOM 753 CA ASP A 48 4.864 3.777 -10.436 1.00 0.00 C ATOM 754 C ASP A 48 5.687 5.048 -10.281 1.00 0.00 C ATOM 755 O ASP A 48 6.152 5.605 -11.277 1.00 0.00 O ATOM 756 CB ASP A 48 5.775 2.582 -10.740 1.00 0.00 C ATOM 757 CG ASP A 48 6.974 2.505 -9.820 1.00 0.00 C ATOM 758 OD1 ASP A 48 6.823 2.029 -8.682 1.00 0.00 O ATOM 759 OD2 ASP A 48 8.080 2.911 -10.239 1.00 0.00 O ATOM 0 H ASP A 48 4.238 4.582 -12.253 1.00 0.00 H new ATOM 0 HA ASP A 48 4.334 3.576 -9.505 1.00 0.00 H new ATOM 0 HB2 ASP A 48 5.198 1.661 -10.654 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.119 2.648 -11.772 1.00 0.00 H new ATOM 764 N PRO A 49 5.862 5.549 -9.045 1.00 0.00 N ATOM 765 CA PRO A 49 5.310 4.925 -7.837 1.00 0.00 C ATOM 766 C PRO A 49 3.815 5.201 -7.640 1.00 0.00 C ATOM 767 O PRO A 49 3.159 5.817 -8.487 1.00 0.00 O ATOM 768 CB PRO A 49 6.128 5.573 -6.720 1.00 0.00 C ATOM 769 CG PRO A 49 6.471 6.924 -7.244 1.00 0.00 C ATOM 770 CD PRO A 49 6.628 6.769 -8.732 1.00 0.00 C ATOM 0 HA PRO A 49 5.378 3.838 -7.875 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.554 5.640 -5.796 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.024 4.994 -6.498 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.687 7.644 -7.008 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.391 7.295 -6.792 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.237 7.634 -9.267 1.00 0.00 H new ATOM 0 HD3 PRO A 49 7.676 6.666 -9.015 1.00 0.00 H new ATOM 778 N ILE A 50 3.294 4.739 -6.509 1.00 0.00 N ATOM 779 CA ILE A 50 1.877 4.853 -6.194 1.00 0.00 C ATOM 780 C ILE A 50 1.684 5.657 -4.909 1.00 0.00 C ATOM 781 O ILE A 50 2.455 5.519 -3.958 1.00 0.00 O ATOM 782 CB ILE A 50 1.240 3.455 -6.022 1.00 0.00 C ATOM 783 CG1 ILE A 50 1.505 2.599 -7.264 1.00 0.00 C ATOM 784 CG2 ILE A 50 -0.259 3.572 -5.763 1.00 0.00 C ATOM 785 CD1 ILE A 50 1.040 1.164 -7.130 1.00 0.00 C ATOM 0 H ILE A 50 3.843 4.275 -5.785 1.00 0.00 H new ATOM 0 HA ILE A 50 1.388 5.366 -7.022 1.00 0.00 H new ATOM 0 HB ILE A 50 1.696 2.971 -5.159 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.007 3.054 -8.120 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.574 2.606 -7.477 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.687 2.576 -5.645 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.427 4.149 -4.854 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.736 4.074 -6.605 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.262 0.622 -8.049 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.557 0.690 -6.296 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.035 1.145 -6.949 1.00 0.00 H new ATOM 797 N GLU A 51 0.663 6.499 -4.895 1.00 0.00 N ATOM 798 CA GLU A 51 0.354 7.319 -3.737 1.00 0.00 C ATOM 799 C GLU A 51 -0.961 6.867 -3.117 1.00 0.00 C ATOM 800 O GLU A 51 -2.005 6.893 -3.774 1.00 0.00 O ATOM 801 CB GLU A 51 0.263 8.781 -4.158 1.00 0.00 C ATOM 802 CG GLU A 51 1.562 9.313 -4.739 1.00 0.00 C ATOM 803 CD GLU A 51 1.405 10.684 -5.353 1.00 0.00 C ATOM 804 OE1 GLU A 51 1.570 11.687 -4.630 1.00 0.00 O ATOM 805 OE2 GLU A 51 1.119 10.772 -6.565 1.00 0.00 O ATOM 0 H GLU A 51 0.029 6.632 -5.682 1.00 0.00 H new ATOM 0 HA GLU A 51 1.145 7.210 -2.995 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.531 8.892 -4.896 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.017 9.385 -3.295 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.317 9.355 -3.954 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.928 8.620 -5.496 1.00 0.00 H new ATOM 812 N VAL A 52 -0.910 6.438 -1.863 1.00 0.00 N ATOM 813 CA VAL A 52 -2.095 5.936 -1.181 1.00 0.00 C ATOM 814 C VAL A 52 -2.291 6.622 0.166 1.00 0.00 C ATOM 815 O VAL A 52 -1.359 7.201 0.725 1.00 0.00 O ATOM 816 CB VAL A 52 -2.022 4.408 -0.956 1.00 0.00 C ATOM 817 CG1 VAL A 52 -2.005 3.663 -2.281 1.00 0.00 C ATOM 818 CG2 VAL A 52 -0.804 4.042 -0.116 1.00 0.00 C ATOM 0 H VAL A 52 -0.061 6.428 -1.298 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.942 6.160 -1.830 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.916 4.106 -0.410 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.953 2.590 -2.095 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.914 3.891 -2.838 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.136 3.973 -2.861 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.773 2.962 0.029 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.102 4.365 -0.629 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.868 4.537 0.853 1.00 0.00 H new ATOM 828 N ASN A 53 -3.510 6.567 0.668 1.00 0.00 N ATOM 829 CA ASN A 53 -3.820 7.071 1.998 1.00 0.00 C ATOM 830 C ASN A 53 -4.143 5.903 2.913 1.00 0.00 C ATOM 831 O ASN A 53 -5.234 5.343 2.846 1.00 0.00 O ATOM 832 CB ASN A 53 -5.011 8.034 1.951 1.00 0.00 C ATOM 833 CG ASN A 53 -5.364 8.602 3.315 1.00 0.00 C ATOM 834 OD1 ASN A 53 -6.119 7.999 4.078 1.00 0.00 O ATOM 835 ND2 ASN A 53 -4.834 9.774 3.623 1.00 0.00 N ATOM 0 H ASN A 53 -4.310 6.175 0.172 1.00 0.00 H new ATOM 0 HA ASN A 53 -2.955 7.613 2.379 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -4.783 8.853 1.269 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -5.878 7.513 1.544 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -5.047 10.210 4.520 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -4.213 10.242 2.963 1.00 0.00 H new ATOM 842 N CYS A 54 -3.190 5.518 3.744 1.00 0.00 N ATOM 843 CA CYS A 54 -3.390 4.399 4.648 1.00 0.00 C ATOM 844 C CYS A 54 -3.424 4.889 6.083 1.00 0.00 C ATOM 845 O CYS A 54 -2.516 5.593 6.525 1.00 0.00 O ATOM 846 CB CYS A 54 -2.293 3.343 4.474 1.00 0.00 C ATOM 847 SG CYS A 54 -2.552 1.840 5.451 1.00 0.00 S ATOM 0 H CYS A 54 -2.274 5.961 3.812 1.00 0.00 H new ATOM 0 HA CYS A 54 -4.346 3.934 4.406 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -2.228 3.072 3.420 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.334 3.782 4.750 1.00 0.00 H new ATOM 0 HG CYS A 54 -2.773 2.161 6.691 1.00 0.00 H new ATOM 853 N ASN A 55 -4.491 4.536 6.798 1.00 0.00 N ATOM 854 CA ASN A 55 -4.674 4.955 8.193 1.00 0.00 C ATOM 855 C ASN A 55 -4.770 6.473 8.308 1.00 0.00 C ATOM 856 O ASN A 55 -4.546 7.041 9.377 1.00 0.00 O ATOM 857 CB ASN A 55 -3.531 4.437 9.077 1.00 0.00 C ATOM 858 CG ASN A 55 -3.719 2.991 9.500 1.00 0.00 C ATOM 859 OD1 ASN A 55 -3.217 2.059 8.704 1.00 0.00 O flip ATOM 860 ND2 ASN A 55 -4.318 2.713 10.535 1.00 0.00 N flip ATOM 0 H ASN A 55 -5.248 3.957 6.434 1.00 0.00 H new ATOM 0 HA ASN A 55 -5.612 4.522 8.541 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -2.589 4.533 8.537 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.454 5.063 9.966 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -4.691 3.457 11.124 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -4.442 1.738 10.806 1.00 0.00 H new ATOM 867 N GLY A 56 -5.120 7.125 7.207 1.00 0.00 N ATOM 868 CA GLY A 56 -5.214 8.569 7.201 1.00 0.00 C ATOM 869 C GLY A 56 -3.886 9.227 6.894 1.00 0.00 C ATOM 870 O GLY A 56 -3.784 10.452 6.849 1.00 0.00 O ATOM 0 H GLY A 56 -5.341 6.677 6.317 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -5.951 8.880 6.461 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -5.572 8.912 8.172 1.00 0.00 H new ATOM 874 N MET A 57 -2.864 8.413 6.674 1.00 0.00 N ATOM 875 CA MET A 57 -1.532 8.918 6.390 1.00 0.00 C ATOM 876 C MET A 57 -1.224 8.776 4.906 1.00 0.00 C ATOM 877 O MET A 57 -1.501 7.738 4.299 1.00 0.00 O ATOM 878 CB MET A 57 -0.499 8.170 7.230 1.00 0.00 C ATOM 879 CG MET A 57 0.849 8.869 7.303 1.00 0.00 C ATOM 880 SD MET A 57 2.027 7.991 8.348 1.00 0.00 S ATOM 881 CE MET A 57 1.118 7.917 9.891 1.00 0.00 C ATOM 0 H MET A 57 -2.934 7.396 6.687 1.00 0.00 H new ATOM 0 HA MET A 57 -1.489 9.976 6.651 1.00 0.00 H new ATOM 0 HB2 MET A 57 -0.888 8.043 8.240 1.00 0.00 H new ATOM 0 HB3 MET A 57 -0.359 7.172 6.814 1.00 0.00 H new ATOM 0 HG2 MET A 57 1.260 8.964 6.298 1.00 0.00 H new ATOM 0 HG3 MET A 57 0.710 9.880 7.687 1.00 0.00 H new ATOM 0 HE1 MET A 57 1.800 7.667 10.704 1.00 0.00 H new ATOM 0 HE2 MET A 57 0.657 8.885 10.089 1.00 0.00 H new ATOM 0 HE3 MET A 57 0.343 7.154 9.820 1.00 0.00 H new ATOM 891 N LEU A 58 -0.678 9.832 4.322 1.00 0.00 N ATOM 892 CA LEU A 58 -0.317 9.830 2.912 1.00 0.00 C ATOM 893 C LEU A 58 0.971 9.044 2.719 1.00 0.00 C ATOM 894 O LEU A 58 2.047 9.505 3.099 1.00 0.00 O ATOM 895 CB LEU A 58 -0.132 11.261 2.384 1.00 0.00 C ATOM 896 CG LEU A 58 -1.377 12.162 2.389 1.00 0.00 C ATOM 897 CD1 LEU A 58 -2.545 11.472 1.711 1.00 0.00 C ATOM 898 CD2 LEU A 58 -1.753 12.587 3.803 1.00 0.00 C ATOM 0 H LEU A 58 -0.474 10.706 4.806 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.126 9.362 2.351 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.642 11.746 2.978 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.241 11.201 1.362 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.133 13.062 1.825 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.415 12.129 1.727 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.282 11.242 0.678 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.779 10.548 2.240 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.638 13.223 3.769 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.965 11.703 4.404 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.926 13.139 4.249 1.00 0.00 H new ATOM 910 N LEU A 59 0.859 7.851 2.161 1.00 0.00 N ATOM 911 CA LEU A 59 2.016 6.991 1.983 1.00 0.00 C ATOM 912 C LEU A 59 2.371 6.919 0.507 1.00 0.00 C ATOM 913 O LEU A 59 1.486 6.853 -0.351 1.00 0.00 O ATOM 914 CB LEU A 59 1.754 5.572 2.521 1.00 0.00 C ATOM 915 CG LEU A 59 1.005 5.463 3.862 1.00 0.00 C ATOM 916 CD1 LEU A 59 1.123 4.049 4.419 1.00 0.00 C ATOM 917 CD2 LEU A 59 1.513 6.474 4.881 1.00 0.00 C ATOM 0 H LEU A 59 -0.019 7.456 1.824 1.00 0.00 H new ATOM 0 HA LEU A 59 2.845 7.417 2.548 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.186 5.024 1.770 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.714 5.066 2.626 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.044 5.688 3.671 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.589 3.986 5.367 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.691 3.342 3.711 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.174 3.807 4.578 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.958 6.362 5.812 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.573 6.301 5.068 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.373 7.483 4.493 1.00 0.00 H new ATOM 929 N THR A 60 3.656 6.956 0.206 1.00 0.00 N ATOM 930 CA THR A 60 4.111 6.858 -1.167 1.00 0.00 C ATOM 931 C THR A 60 5.215 5.816 -1.298 1.00 0.00 C ATOM 932 O THR A 60 6.279 5.921 -0.676 1.00 0.00 O ATOM 933 CB THR A 60 4.604 8.225 -1.684 1.00 0.00 C ATOM 934 OG1 THR A 60 3.572 9.205 -1.502 1.00 0.00 O ATOM 935 CG2 THR A 60 4.981 8.151 -3.157 1.00 0.00 C ATOM 0 H THR A 60 4.402 7.053 0.894 1.00 0.00 H new ATOM 0 HA THR A 60 3.264 6.545 -1.777 1.00 0.00 H new ATOM 0 HB THR A 60 5.491 8.507 -1.117 1.00 0.00 H new ATOM 0 HG1 THR A 60 3.885 10.074 -1.829 1.00 0.00 H new ATOM 0 HG21 THR A 60 5.325 9.129 -3.494 1.00 0.00 H new ATOM 0 HG22 THR A 60 5.778 7.420 -3.292 1.00 0.00 H new ATOM 0 HG23 THR A 60 4.111 7.851 -3.741 1.00 0.00 H new ATOM 943 N MET A 61 4.947 4.809 -2.112 1.00 0.00 N ATOM 944 CA MET A 61 5.877 3.712 -2.332 1.00 0.00 C ATOM 945 C MET A 61 5.791 3.266 -3.779 1.00 0.00 C ATOM 946 O MET A 61 4.941 3.741 -4.530 1.00 0.00 O ATOM 947 CB MET A 61 5.564 2.531 -1.402 1.00 0.00 C ATOM 948 CG MET A 61 4.302 1.763 -1.781 1.00 0.00 C ATOM 949 SD MET A 61 2.799 2.752 -1.651 1.00 0.00 S ATOM 950 CE MET A 61 1.607 1.643 -2.392 1.00 0.00 C ATOM 0 H MET A 61 4.078 4.728 -2.640 1.00 0.00 H new ATOM 0 HA MET A 61 6.886 4.059 -2.111 1.00 0.00 H new ATOM 0 HB2 MET A 61 6.410 1.844 -1.406 1.00 0.00 H new ATOM 0 HB3 MET A 61 5.459 2.902 -0.382 1.00 0.00 H new ATOM 0 HG2 MET A 61 4.401 1.397 -2.803 1.00 0.00 H new ATOM 0 HG3 MET A 61 4.210 0.888 -1.137 1.00 0.00 H new ATOM 0 HE1 MET A 61 0.605 2.056 -2.276 1.00 0.00 H new ATOM 0 HE2 MET A 61 1.830 1.525 -3.452 1.00 0.00 H new ATOM 0 HE3 MET A 61 1.659 0.672 -1.900 1.00 0.00 H new ATOM 960 N ARG A 62 6.661 2.354 -4.167 1.00 0.00 N ATOM 961 CA ARG A 62 6.735 1.919 -5.540 1.00 0.00 C ATOM 962 C ARG A 62 5.833 0.722 -5.767 1.00 0.00 C ATOM 963 O ARG A 62 5.326 0.115 -4.817 1.00 0.00 O ATOM 964 CB ARG A 62 8.180 1.567 -5.900 1.00 0.00 C ATOM 965 CG ARG A 62 9.144 2.739 -5.788 1.00 0.00 C ATOM 966 CD ARG A 62 9.480 3.082 -4.347 1.00 0.00 C ATOM 967 NE ARG A 62 10.017 1.936 -3.617 1.00 0.00 N ATOM 968 CZ ARG A 62 11.134 1.966 -2.891 1.00 0.00 C ATOM 969 NH1 ARG A 62 11.822 3.097 -2.769 1.00 0.00 N ATOM 970 NH2 ARG A 62 11.549 0.863 -2.278 1.00 0.00 N ATOM 0 H ARG A 62 7.328 1.900 -3.543 1.00 0.00 H new ATOM 0 HA ARG A 62 6.397 2.732 -6.182 1.00 0.00 H new ATOM 0 HB2 ARG A 62 8.522 0.764 -5.247 1.00 0.00 H new ATOM 0 HB3 ARG A 62 8.207 1.182 -6.920 1.00 0.00 H new ATOM 0 HG2 ARG A 62 10.062 2.502 -6.325 1.00 0.00 H new ATOM 0 HG3 ARG A 62 8.707 3.612 -6.273 1.00 0.00 H new ATOM 0 HD2 ARG A 62 10.206 3.895 -4.329 1.00 0.00 H new ATOM 0 HD3 ARG A 62 8.584 3.444 -3.843 1.00 0.00 H new ATOM 0 HE ARG A 62 9.504 1.056 -3.666 1.00 0.00 H new ATOM 0 HH11 ARG A 62 11.495 3.945 -3.232 1.00 0.00 H new ATOM 0 HH12 ARG A 62 12.677 3.117 -2.213 1.00 0.00 H new ATOM 0 HH21 ARG A 62 11.013 -0.001 -2.364 1.00 0.00 H new ATOM 0 HH22 ARG A 62 12.403 0.880 -1.721 1.00 0.00 H new ATOM 984 N ARG A 63 5.634 0.382 -7.027 1.00 0.00 N ATOM 985 CA ARG A 63 4.832 -0.777 -7.376 1.00 0.00 C ATOM 986 C ARG A 63 5.515 -2.047 -6.885 1.00 0.00 C ATOM 987 O ARG A 63 4.862 -3.049 -6.608 1.00 0.00 O ATOM 988 CB ARG A 63 4.565 -0.859 -8.884 1.00 0.00 C ATOM 989 CG ARG A 63 3.674 -2.037 -9.242 1.00 0.00 C ATOM 990 CD ARG A 63 3.235 -2.044 -10.696 1.00 0.00 C ATOM 991 NE ARG A 63 2.338 -3.171 -10.942 1.00 0.00 N ATOM 992 CZ ARG A 63 1.312 -3.160 -11.785 1.00 0.00 C ATOM 993 NH1 ARG A 63 1.092 -2.121 -12.582 1.00 0.00 N ATOM 994 NH2 ARG A 63 0.515 -4.216 -11.836 1.00 0.00 N ATOM 0 H ARG A 63 6.016 0.890 -7.825 1.00 0.00 H new ATOM 0 HA ARG A 63 3.865 -0.673 -6.884 1.00 0.00 H new ATOM 0 HB2 ARG A 63 4.095 0.066 -9.220 1.00 0.00 H new ATOM 0 HB3 ARG A 63 5.513 -0.947 -9.416 1.00 0.00 H new ATOM 0 HG2 ARG A 63 4.206 -2.964 -9.027 1.00 0.00 H new ATOM 0 HG3 ARG A 63 2.790 -2.021 -8.604 1.00 0.00 H new ATOM 0 HD2 ARG A 63 2.731 -1.108 -10.937 1.00 0.00 H new ATOM 0 HD3 ARG A 63 4.106 -2.113 -11.347 1.00 0.00 H new ATOM 0 HE ARG A 63 2.514 -4.033 -10.426 1.00 0.00 H new ATOM 0 HH11 ARG A 63 1.716 -1.315 -12.553 1.00 0.00 H new ATOM 0 HH12 ARG A 63 0.299 -2.129 -13.224 1.00 0.00 H new ATOM 0 HH21 ARG A 63 0.694 -5.020 -11.234 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -0.278 -4.226 -12.477 1.00 0.00 H new ATOM 1008 N ASN A 64 6.838 -1.986 -6.780 1.00 0.00 N ATOM 1009 CA ASN A 64 7.640 -3.100 -6.278 1.00 0.00 C ATOM 1010 C ASN A 64 7.117 -3.577 -4.928 1.00 0.00 C ATOM 1011 O ASN A 64 6.970 -4.778 -4.693 1.00 0.00 O ATOM 1012 CB ASN A 64 9.100 -2.666 -6.139 1.00 0.00 C ATOM 1013 CG ASN A 64 9.681 -2.160 -7.444 1.00 0.00 C ATOM 1014 OD1 ASN A 64 9.347 -2.654 -8.522 1.00 0.00 O ATOM 1015 ND2 ASN A 64 10.536 -1.156 -7.358 1.00 0.00 N ATOM 0 H ASN A 64 7.385 -1.165 -7.039 1.00 0.00 H new ATOM 0 HA ASN A 64 7.570 -3.923 -6.989 1.00 0.00 H new ATOM 0 HB2 ASN A 64 9.173 -1.883 -5.385 1.00 0.00 H new ATOM 0 HB3 ASN A 64 9.694 -3.508 -5.783 1.00 0.00 H new ATOM 0 HD21 ASN A 64 10.946 -0.761 -8.205 1.00 0.00 H new ATOM 0 HD22 ASN A 64 10.786 -0.776 -6.445 1.00 0.00 H new ATOM 1022 N GLU A 65 6.837 -2.629 -4.043 1.00 0.00 N ATOM 1023 CA GLU A 65 6.264 -2.948 -2.747 1.00 0.00 C ATOM 1024 C GLU A 65 4.808 -3.375 -2.905 1.00 0.00 C ATOM 1025 O GLU A 65 4.375 -4.366 -2.318 1.00 0.00 O ATOM 1026 CB GLU A 65 6.343 -1.744 -1.797 1.00 0.00 C ATOM 1027 CG GLU A 65 7.754 -1.360 -1.361 1.00 0.00 C ATOM 1028 CD GLU A 65 8.609 -0.829 -2.491 1.00 0.00 C ATOM 1029 OE1 GLU A 65 8.118 0.016 -3.262 1.00 0.00 O ATOM 1030 OE2 GLU A 65 9.775 -1.255 -2.612 1.00 0.00 O ATOM 0 H GLU A 65 6.998 -1.634 -4.201 1.00 0.00 H new ATOM 0 HA GLU A 65 6.840 -3.768 -2.319 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.883 -0.885 -2.284 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.751 -1.962 -0.908 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.691 -0.605 -0.577 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.242 -2.232 -0.925 1.00 0.00 H new ATOM 1037 N ALA A 66 4.072 -2.633 -3.727 1.00 0.00 N ATOM 1038 CA ALA A 66 2.636 -2.841 -3.904 1.00 0.00 C ATOM 1039 C ALA A 66 2.311 -4.233 -4.448 1.00 0.00 C ATOM 1040 O ALA A 66 1.307 -4.828 -4.062 1.00 0.00 O ATOM 1041 CB ALA A 66 2.060 -1.764 -4.811 1.00 0.00 C ATOM 0 H ALA A 66 4.452 -1.871 -4.289 1.00 0.00 H new ATOM 0 HA ALA A 66 2.173 -2.770 -2.920 1.00 0.00 H new ATOM 0 HB1 ALA A 66 0.990 -1.928 -4.936 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.227 -0.784 -4.364 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.550 -1.807 -5.784 1.00 0.00 H new ATOM 1047 N GLU A 67 3.150 -4.738 -5.350 1.00 0.00 N ATOM 1048 CA GLU A 67 2.991 -6.098 -5.871 1.00 0.00 C ATOM 1049 C GLU A 67 3.066 -7.118 -4.738 1.00 0.00 C ATOM 1050 O GLU A 67 2.317 -8.096 -4.708 1.00 0.00 O ATOM 1051 CB GLU A 67 4.074 -6.406 -6.910 1.00 0.00 C ATOM 1052 CG GLU A 67 3.895 -5.683 -8.239 1.00 0.00 C ATOM 1053 CD GLU A 67 2.744 -6.226 -9.069 1.00 0.00 C ATOM 1054 OE1 GLU A 67 2.679 -7.452 -9.281 1.00 0.00 O ATOM 1055 OE2 GLU A 67 1.911 -5.421 -9.535 1.00 0.00 O ATOM 0 H GLU A 67 3.945 -4.229 -5.736 1.00 0.00 H new ATOM 0 HA GLU A 67 2.012 -6.165 -6.346 1.00 0.00 H new ATOM 0 HB2 GLU A 67 5.046 -6.140 -6.494 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.089 -7.480 -7.094 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.728 -4.623 -8.048 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.817 -5.762 -8.814 1.00 0.00 H new ATOM 1062 N GLY A 68 3.992 -6.886 -3.814 1.00 0.00 N ATOM 1063 CA GLY A 68 4.128 -7.747 -2.659 1.00 0.00 C ATOM 1064 C GLY A 68 2.929 -7.659 -1.733 1.00 0.00 C ATOM 1065 O GLY A 68 2.572 -8.633 -1.068 1.00 0.00 O ATOM 0 H GLY A 68 4.654 -6.111 -3.847 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.255 -8.778 -2.990 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.030 -7.475 -2.110 1.00 0.00 H new ATOM 1069 N ILE A 69 2.308 -6.490 -1.692 1.00 0.00 N ATOM 1070 CA ILE A 69 1.193 -6.245 -0.789 1.00 0.00 C ATOM 1071 C ILE A 69 -0.107 -6.814 -1.349 1.00 0.00 C ATOM 1072 O ILE A 69 -0.542 -6.450 -2.443 1.00 0.00 O ATOM 1073 CB ILE A 69 1.013 -4.735 -0.522 1.00 0.00 C ATOM 1074 CG1 ILE A 69 2.317 -4.127 -0.005 1.00 0.00 C ATOM 1075 CG2 ILE A 69 -0.112 -4.504 0.477 1.00 0.00 C ATOM 1076 CD1 ILE A 69 2.294 -2.618 0.074 1.00 0.00 C ATOM 0 H ILE A 69 2.559 -5.692 -2.276 1.00 0.00 H new ATOM 0 HA ILE A 69 1.427 -6.748 0.149 1.00 0.00 H new ATOM 0 HB ILE A 69 0.750 -4.246 -1.460 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.528 -4.531 0.985 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.135 -4.436 -0.656 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.227 -3.435 0.655 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -1.042 -4.907 0.077 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.126 -5.004 1.416 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.252 -2.259 0.449 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.114 -2.204 -0.918 1.00 0.00 H new ATOM 0 HD13 ILE A 69 1.499 -2.301 0.749 1.00 0.00 H new ATOM 1088 N THR A 70 -0.715 -7.709 -0.591 1.00 0.00 N ATOM 1089 CA THR A 70 -2.003 -8.269 -0.952 1.00 0.00 C ATOM 1090 C THR A 70 -3.095 -7.558 -0.154 1.00 0.00 C ATOM 1091 O THR A 70 -2.987 -7.418 1.066 1.00 0.00 O ATOM 1092 CB THR A 70 -2.041 -9.782 -0.662 1.00 0.00 C ATOM 1093 OG1 THR A 70 -0.851 -10.398 -1.179 1.00 0.00 O ATOM 1094 CG2 THR A 70 -3.264 -10.427 -1.296 1.00 0.00 C ATOM 0 H THR A 70 -0.333 -8.065 0.285 1.00 0.00 H new ATOM 0 HA THR A 70 -2.169 -8.124 -2.020 1.00 0.00 H new ATOM 0 HB THR A 70 -2.096 -9.926 0.417 1.00 0.00 H new ATOM 0 HG1 THR A 70 -0.874 -11.360 -0.993 1.00 0.00 H new ATOM 0 HG21 THR A 70 -3.267 -11.495 -1.077 1.00 0.00 H new ATOM 0 HG22 THR A 70 -4.167 -9.971 -0.891 1.00 0.00 H new ATOM 0 HG23 THR A 70 -3.235 -10.279 -2.375 1.00 0.00 H new ATOM 1102 N VAL A 71 -4.127 -7.084 -0.838 1.00 0.00 N ATOM 1103 CA VAL A 71 -5.184 -6.321 -0.188 1.00 0.00 C ATOM 1104 C VAL A 71 -6.556 -6.895 -0.509 1.00 0.00 C ATOM 1105 O VAL A 71 -6.704 -7.724 -1.409 1.00 0.00 O ATOM 1106 CB VAL A 71 -5.161 -4.834 -0.607 1.00 0.00 C ATOM 1107 CG1 VAL A 71 -3.862 -4.168 -0.177 1.00 0.00 C ATOM 1108 CG2 VAL A 71 -5.370 -4.696 -2.111 1.00 0.00 C ATOM 0 H VAL A 71 -4.255 -7.214 -1.842 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.998 -6.392 0.884 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.982 -4.326 -0.101 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.871 -3.122 -0.484 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.764 -4.228 0.907 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.020 -4.677 -0.646 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -5.350 -3.641 -2.386 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -4.575 -5.223 -2.639 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.334 -5.125 -2.385 1.00 0.00 H new ATOM 1118 N HIS A 72 -7.551 -6.448 0.242 1.00 0.00 N ATOM 1119 CA HIS A 72 -8.932 -6.842 0.017 1.00 0.00 C ATOM 1120 C HIS A 72 -9.821 -5.604 -0.017 1.00 0.00 C ATOM 1121 O HIS A 72 -9.834 -4.817 0.932 1.00 0.00 O ATOM 1122 CB HIS A 72 -9.384 -7.802 1.118 1.00 0.00 C ATOM 1123 CG HIS A 72 -10.798 -8.273 0.974 1.00 0.00 C ATOM 1124 ND1 HIS A 72 -11.158 -9.178 0.005 1.00 0.00 N ATOM 1125 CD2 HIS A 72 -11.891 -7.942 1.702 1.00 0.00 C ATOM 1126 CE1 HIS A 72 -12.455 -9.376 0.165 1.00 0.00 C ATOM 1127 NE2 HIS A 72 -12.943 -8.650 1.182 1.00 0.00 N ATOM 0 H HIS A 72 -7.424 -5.804 1.022 1.00 0.00 H new ATOM 0 HA HIS A 72 -9.012 -7.354 -0.942 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -8.722 -8.668 1.124 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -9.273 -7.309 2.084 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -11.927 -7.253 2.533 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -13.048 -10.040 -0.447 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -13.910 -8.629 1.506 1.00 0.00 H new ATOM 1135 N ILE A 73 -10.552 -5.438 -1.111 1.00 0.00 N ATOM 1136 CA ILE A 73 -11.372 -4.249 -1.328 1.00 0.00 C ATOM 1137 C ILE A 73 -12.533 -4.179 -0.339 1.00 0.00 C ATOM 1138 O ILE A 73 -13.231 -5.167 -0.103 1.00 0.00 O ATOM 1139 CB ILE A 73 -11.912 -4.209 -2.777 1.00 0.00 C ATOM 1140 CG1 ILE A 73 -10.744 -4.109 -3.762 1.00 0.00 C ATOM 1141 CG2 ILE A 73 -12.888 -3.051 -2.974 1.00 0.00 C ATOM 1142 CD1 ILE A 73 -11.169 -4.089 -5.214 1.00 0.00 C ATOM 0 H ILE A 73 -10.595 -6.118 -1.870 1.00 0.00 H new ATOM 0 HA ILE A 73 -10.732 -3.382 -1.164 1.00 0.00 H new ATOM 0 HB ILE A 73 -12.459 -5.132 -2.967 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -10.176 -3.204 -3.547 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -10.072 -4.952 -3.601 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -13.249 -3.051 -4.002 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -13.731 -3.166 -2.293 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -12.381 -2.109 -2.767 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -10.287 -4.017 -5.850 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -11.711 -5.006 -5.447 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -11.816 -3.230 -5.392 1.00 0.00 H new ATOM 1154 N LEU A 74 -12.730 -3.000 0.233 1.00 0.00 N ATOM 1155 CA LEU A 74 -13.782 -2.782 1.211 1.00 0.00 C ATOM 1156 C LEU A 74 -15.011 -2.164 0.557 1.00 0.00 C ATOM 1157 O LEU A 74 -15.201 -0.944 0.590 1.00 0.00 O ATOM 1158 CB LEU A 74 -13.283 -1.878 2.339 1.00 0.00 C ATOM 1159 CG LEU A 74 -12.058 -2.395 3.090 1.00 0.00 C ATOM 1160 CD1 LEU A 74 -11.654 -1.426 4.191 1.00 0.00 C ATOM 1161 CD2 LEU A 74 -12.336 -3.777 3.656 1.00 0.00 C ATOM 0 H LEU A 74 -12.168 -2.173 0.033 1.00 0.00 H new ATOM 0 HA LEU A 74 -14.060 -3.750 1.628 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -13.048 -0.899 1.922 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -14.094 -1.734 3.053 1.00 0.00 H new ATOM 0 HG LEU A 74 -11.225 -2.471 2.391 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -10.779 -1.813 4.714 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -11.415 -0.457 3.753 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -12.477 -1.313 4.896 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -11.456 -4.136 4.189 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -13.181 -3.726 4.343 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -12.572 -4.463 2.842 1.00 0.00 H new