USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 455 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 12 LYS NZ :NH3+ 141:sc= 1.17 (180deg=0) USER MOD Set 1.2: A 31 GLN : amide:sc= -1.88! C(o=-0.71!,f=-16!) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 73:sc= -0.529! USER MOD Single : A 14 LYS NZ :NH3+ 167:sc= -13.4! (180deg=-13.9!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -17.1! C(o=-17!,f=-28!) USER MOD Single : A 23 ASN : amide:sc= -0.578 K(o=-0.58,f=-1.5) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.11 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 41:sc= 1.11 USER MOD Single : A 38 GLN : amide:sc= -0.457 X(o=-0.46,f=-0.078) USER MOD Single : A 40 TYR OH : rot 5:sc= -1.51! USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 HIS : no HE2:sc= -9.45! C(o=-9.4!,f=-13!) USER MOD Single : A 45 THR OG1 : rot 180:sc= -1.3! USER MOD Single : A 48 ASN : amide:sc= -6.06! C(o=-6.1!,f=-6.3!) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -3.019 10.679 -9.461 1.00 0.00 N ATOM 2 CA PRO A 1 -3.610 9.498 -8.757 1.00 0.00 C ATOM 3 C PRO A 1 -3.394 9.636 -7.248 1.00 0.00 C ATOM 4 O PRO A 1 -4.329 9.614 -6.473 1.00 0.00 O ATOM 5 CB PRO A 1 -2.913 8.237 -9.264 1.00 0.00 C ATOM 6 CG PRO A 1 -1.881 8.669 -10.296 1.00 0.00 C ATOM 7 CD PRO A 1 -1.925 10.208 -10.364 1.00 0.00 C ATOM 0 H2 PRO A 1 -2.653 11.347 -8.783 1.00 0.00 H new ATOM 0 H3 PRO A 1 -3.737 11.164 -10.000 1.00 0.00 H new ATOM 0 HA PRO A 1 -4.680 9.440 -8.955 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -2.434 7.707 -8.441 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -3.635 7.552 -9.707 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -0.886 8.324 -10.014 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -2.105 8.234 -11.270 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -0.968 10.631 -10.056 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -2.106 10.539 -11.387 1.00 0.00 H new ATOM 17 N GLU A 2 -2.168 9.780 -6.825 1.00 0.00 N ATOM 18 CA GLU A 2 -1.893 9.919 -5.367 1.00 0.00 C ATOM 19 C GLU A 2 -2.433 8.693 -4.630 1.00 0.00 C ATOM 20 O GLU A 2 -3.626 8.470 -4.563 1.00 0.00 O ATOM 21 CB GLU A 2 -2.580 11.178 -4.835 1.00 0.00 C ATOM 22 CG GLU A 2 -2.299 12.351 -5.775 1.00 0.00 C ATOM 23 CD GLU A 2 -3.511 13.284 -5.805 1.00 0.00 C ATOM 24 OE1 GLU A 2 -4.425 13.010 -6.564 1.00 0.00 O ATOM 25 OE2 GLU A 2 -3.505 14.255 -5.067 1.00 0.00 O ATOM 0 H GLU A 2 -1.345 9.807 -7.426 1.00 0.00 H new ATOM 0 HA GLU A 2 -0.818 9.998 -5.205 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -3.654 11.012 -4.755 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -2.217 11.407 -3.833 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -1.416 12.895 -5.440 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -2.085 11.983 -6.779 1.00 0.00 H new ATOM 32 N PHE A 3 -1.563 7.893 -4.078 1.00 0.00 N ATOM 33 CA PHE A 3 -2.018 6.681 -3.349 1.00 0.00 C ATOM 34 C PHE A 3 -1.326 6.644 -1.991 1.00 0.00 C ATOM 35 O PHE A 3 -0.329 7.294 -1.773 1.00 0.00 O ATOM 36 CB PHE A 3 -1.661 5.443 -4.194 1.00 0.00 C ATOM 37 CG PHE A 3 -1.244 4.278 -3.355 1.00 0.00 C ATOM 38 CD1 PHE A 3 0.010 4.292 -2.762 1.00 0.00 C ATOM 39 CD2 PHE A 3 -2.068 3.157 -3.229 1.00 0.00 C ATOM 40 CE1 PHE A 3 0.444 3.188 -2.032 1.00 0.00 C ATOM 41 CE2 PHE A 3 -1.637 2.057 -2.520 1.00 0.00 C ATOM 42 CZ PHE A 3 -0.384 2.059 -1.914 1.00 0.00 C ATOM 0 H PHE A 3 -0.552 8.029 -4.102 1.00 0.00 H new ATOM 0 HA PHE A 3 -3.096 6.694 -3.188 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -2.522 5.160 -4.800 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -0.856 5.697 -4.883 1.00 0.00 H new ATOM 0 HD1 PHE A 3 0.648 5.157 -2.866 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -3.045 3.153 -3.688 1.00 0.00 H new ATOM 0 HE1 PHE A 3 1.414 3.200 -1.558 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -2.274 1.189 -2.434 1.00 0.00 H new ATOM 0 HZ PHE A 3 -0.050 1.197 -1.356 1.00 0.00 H new ATOM 52 N LEU A 4 -1.865 5.892 -1.085 1.00 0.00 N ATOM 53 CA LEU A 4 -1.267 5.798 0.280 1.00 0.00 C ATOM 54 C LEU A 4 0.226 5.484 0.171 1.00 0.00 C ATOM 55 O LEU A 4 0.633 4.341 0.230 1.00 0.00 O ATOM 56 CB LEU A 4 -1.968 4.677 1.050 1.00 0.00 C ATOM 57 CG LEU A 4 -2.289 3.548 0.085 1.00 0.00 C ATOM 58 CD1 LEU A 4 -1.995 2.223 0.764 1.00 0.00 C ATOM 59 CD2 LEU A 4 -3.762 3.616 -0.284 1.00 0.00 C ATOM 0 H LEU A 4 -2.704 5.329 -1.226 1.00 0.00 H new ATOM 0 HA LEU A 4 -1.394 6.746 0.802 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -1.329 4.315 1.855 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -2.882 5.050 1.512 1.00 0.00 H new ATOM 0 HG LEU A 4 -1.683 3.640 -0.817 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -2.222 1.405 0.080 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -0.942 2.182 1.041 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -2.610 2.129 1.659 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -4.001 2.809 -0.977 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -4.368 3.513 0.616 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -3.975 4.575 -0.757 1.00 0.00 H new ATOM 71 N GLU A 5 1.053 6.487 0.029 1.00 0.00 N ATOM 72 CA GLU A 5 2.517 6.228 -0.069 1.00 0.00 C ATOM 73 C GLU A 5 3.007 5.654 1.262 1.00 0.00 C ATOM 74 O GLU A 5 4.118 5.180 1.376 1.00 0.00 O ATOM 75 CB GLU A 5 3.253 7.535 -0.378 1.00 0.00 C ATOM 76 CG GLU A 5 2.766 8.104 -1.717 1.00 0.00 C ATOM 77 CD GLU A 5 1.556 9.007 -1.475 1.00 0.00 C ATOM 78 OE1 GLU A 5 1.403 9.474 -0.358 1.00 0.00 O ATOM 79 OE2 GLU A 5 0.801 9.217 -2.410 1.00 0.00 O ATOM 0 H GLU A 5 0.779 7.468 -0.023 1.00 0.00 H new ATOM 0 HA GLU A 5 2.715 5.516 -0.870 1.00 0.00 H new ATOM 0 HB2 GLU A 5 3.079 8.258 0.419 1.00 0.00 H new ATOM 0 HB3 GLU A 5 4.328 7.357 -0.418 1.00 0.00 H new ATOM 0 HG2 GLU A 5 3.565 8.669 -2.197 1.00 0.00 H new ATOM 0 HG3 GLU A 5 2.499 7.293 -2.394 1.00 0.00 H new ATOM 86 N ASP A 6 2.172 5.685 2.262 1.00 0.00 N ATOM 87 CA ASP A 6 2.553 5.134 3.587 1.00 0.00 C ATOM 88 C ASP A 6 1.269 4.730 4.310 1.00 0.00 C ATOM 89 O ASP A 6 0.702 5.516 5.043 1.00 0.00 O ATOM 90 CB ASP A 6 3.289 6.202 4.398 1.00 0.00 C ATOM 91 CG ASP A 6 4.393 6.822 3.540 1.00 0.00 C ATOM 92 OD1 ASP A 6 4.072 7.650 2.705 1.00 0.00 O ATOM 93 OD2 ASP A 6 5.541 6.459 3.735 1.00 0.00 O ATOM 0 H ASP A 6 1.230 6.074 2.215 1.00 0.00 H new ATOM 0 HA ASP A 6 3.211 4.273 3.468 1.00 0.00 H new ATOM 0 HB2 ASP A 6 2.590 6.973 4.723 1.00 0.00 H new ATOM 0 HB3 ASP A 6 3.718 5.760 5.297 1.00 0.00 H new ATOM 98 N PRO A 7 0.834 3.520 4.062 1.00 0.00 N ATOM 99 CA PRO A 7 -0.405 2.983 4.658 1.00 0.00 C ATOM 100 C PRO A 7 -0.176 2.540 6.112 1.00 0.00 C ATOM 101 O PRO A 7 -0.711 1.542 6.550 1.00 0.00 O ATOM 102 CB PRO A 7 -0.734 1.770 3.784 1.00 0.00 C ATOM 103 CG PRO A 7 0.591 1.349 3.115 1.00 0.00 C ATOM 104 CD PRO A 7 1.534 2.575 3.164 1.00 0.00 C ATOM 0 HA PRO A 7 -1.204 3.724 4.688 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -1.142 0.957 4.384 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -1.485 2.022 3.035 1.00 0.00 H new ATOM 0 HG2 PRO A 7 1.034 0.501 3.637 1.00 0.00 H new ATOM 0 HG3 PRO A 7 0.420 1.035 2.085 1.00 0.00 H new ATOM 0 HD2 PRO A 7 2.517 2.309 3.551 1.00 0.00 H new ATOM 0 HD3 PRO A 7 1.687 3.003 2.173 1.00 0.00 H new ATOM 112 N SER A 8 0.611 3.263 6.862 1.00 0.00 N ATOM 113 CA SER A 8 0.860 2.864 8.275 1.00 0.00 C ATOM 114 C SER A 8 -0.234 3.446 9.174 1.00 0.00 C ATOM 115 O SER A 8 -0.115 3.457 10.383 1.00 0.00 O ATOM 116 CB SER A 8 2.223 3.395 8.723 1.00 0.00 C ATOM 117 OG SER A 8 2.220 4.814 8.665 1.00 0.00 O ATOM 0 H SER A 8 1.091 4.110 6.558 1.00 0.00 H new ATOM 0 HA SER A 8 0.850 1.777 8.350 1.00 0.00 H new ATOM 0 HB2 SER A 8 2.439 3.062 9.738 1.00 0.00 H new ATOM 0 HB3 SER A 8 3.009 2.996 8.082 1.00 0.00 H new ATOM 0 HG SER A 8 3.092 5.155 8.954 1.00 0.00 H new ATOM 123 N VAL A 9 -1.295 3.934 8.594 1.00 0.00 N ATOM 124 CA VAL A 9 -2.389 4.515 9.422 1.00 0.00 C ATOM 125 C VAL A 9 -3.718 3.826 9.093 1.00 0.00 C ATOM 126 O VAL A 9 -4.720 4.059 9.739 1.00 0.00 O ATOM 127 CB VAL A 9 -2.501 6.016 9.140 1.00 0.00 C ATOM 128 CG1 VAL A 9 -1.104 6.640 9.140 1.00 0.00 C ATOM 129 CG2 VAL A 9 -3.155 6.232 7.777 1.00 0.00 C ATOM 0 H VAL A 9 -1.452 3.956 7.586 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.161 4.360 10.477 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.110 6.486 9.913 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.183 7.708 8.939 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.637 6.487 10.113 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.495 6.170 8.368 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.234 7.301 7.577 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.548 5.762 7.003 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.150 5.788 7.777 1.00 0.00 H new ATOM 139 N LEU A 10 -3.740 2.974 8.102 1.00 0.00 N ATOM 140 CA LEU A 10 -5.008 2.278 7.755 1.00 0.00 C ATOM 141 C LEU A 10 -4.956 0.854 8.275 1.00 0.00 C ATOM 142 O LEU A 10 -5.564 0.555 9.281 1.00 0.00 O ATOM 143 CB LEU A 10 -5.260 2.290 6.220 1.00 0.00 C ATOM 144 CG LEU A 10 -3.968 2.619 5.454 1.00 0.00 C ATOM 145 CD1 LEU A 10 -4.234 2.494 3.960 1.00 0.00 C ATOM 146 CD2 LEU A 10 -3.537 4.059 5.746 1.00 0.00 C ATOM 0 H LEU A 10 -2.937 2.732 7.522 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.837 2.808 8.225 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.639 1.319 5.902 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.028 3.026 5.979 1.00 0.00 H new ATOM 0 HG LEU A 10 -3.184 1.930 5.767 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.323 2.726 3.408 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.549 1.476 3.730 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.021 3.191 3.671 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.621 4.283 5.199 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.324 4.745 5.432 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.359 4.176 6.815 1.00 0.00 H new ATOM 158 N THR A 11 -4.281 -0.040 7.593 1.00 0.00 N ATOM 159 CA THR A 11 -4.254 -1.462 8.028 1.00 0.00 C ATOM 160 C THR A 11 -3.935 -2.323 6.816 1.00 0.00 C ATOM 161 O THR A 11 -3.703 -1.818 5.736 1.00 0.00 O ATOM 162 CB THR A 11 -5.660 -1.822 8.500 1.00 0.00 C ATOM 163 OG1 THR A 11 -5.843 -3.229 8.512 1.00 0.00 O ATOM 164 CG2 THR A 11 -6.669 -1.173 7.539 1.00 0.00 C ATOM 0 H THR A 11 -3.746 0.161 6.748 1.00 0.00 H new ATOM 0 HA THR A 11 -3.517 -1.617 8.816 1.00 0.00 H new ATOM 0 HB THR A 11 -5.809 -1.456 9.516 1.00 0.00 H new ATOM 0 HG1 THR A 11 -5.343 -3.618 9.260 1.00 0.00 H new ATOM 0 HG21 THR A 11 -7.683 -1.417 7.857 1.00 0.00 H new ATOM 0 HG22 THR A 11 -6.536 -0.091 7.548 1.00 0.00 H new ATOM 0 HG23 THR A 11 -6.505 -1.550 6.530 1.00 0.00 H new ATOM 172 N LYS A 12 -3.971 -3.614 6.960 1.00 0.00 N ATOM 173 CA LYS A 12 -3.727 -4.472 5.776 1.00 0.00 C ATOM 174 C LYS A 12 -5.067 -4.641 5.035 1.00 0.00 C ATOM 175 O LYS A 12 -5.205 -5.471 4.160 1.00 0.00 O ATOM 176 CB LYS A 12 -3.194 -5.850 6.207 1.00 0.00 C ATOM 177 CG LYS A 12 -1.685 -5.944 5.926 1.00 0.00 C ATOM 178 CD LYS A 12 -0.913 -5.482 7.165 1.00 0.00 C ATOM 179 CE LYS A 12 -1.298 -6.351 8.365 1.00 0.00 C ATOM 180 NZ LYS A 12 -0.100 -7.099 8.841 1.00 0.00 N ATOM 0 H LYS A 12 -4.156 -4.106 7.834 1.00 0.00 H new ATOM 0 HA LYS A 12 -2.982 -4.010 5.128 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -3.385 -6.007 7.269 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -3.722 -6.637 5.669 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -1.413 -6.969 5.674 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -1.423 -5.325 5.068 1.00 0.00 H new ATOM 0 HD2 LYS A 12 0.160 -5.550 6.984 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -1.135 -4.436 7.375 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -1.693 -5.728 9.167 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -2.088 -7.048 8.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -0.102 -7.132 9.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -0.123 -8.068 8.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 0.762 -6.620 8.511 1.00 0.00 H new ATOM 194 N ASP A 13 -6.061 -3.857 5.400 1.00 0.00 N ATOM 195 CA ASP A 13 -7.402 -3.958 4.746 1.00 0.00 C ATOM 196 C ASP A 13 -7.613 -2.801 3.754 1.00 0.00 C ATOM 197 O ASP A 13 -7.973 -3.015 2.613 1.00 0.00 O ATOM 198 CB ASP A 13 -8.494 -3.909 5.824 1.00 0.00 C ATOM 199 CG ASP A 13 -8.904 -5.335 6.197 1.00 0.00 C ATOM 200 OD1 ASP A 13 -8.237 -5.923 7.033 1.00 0.00 O ATOM 201 OD2 ASP A 13 -9.878 -5.815 5.640 1.00 0.00 O ATOM 0 H ASP A 13 -5.995 -3.147 6.130 1.00 0.00 H new ATOM 0 HA ASP A 13 -7.455 -4.899 4.199 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -8.127 -3.382 6.705 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -9.358 -3.355 5.457 1.00 0.00 H new ATOM 206 N LYS A 14 -7.395 -1.579 4.172 1.00 0.00 N ATOM 207 CA LYS A 14 -7.587 -0.424 3.254 1.00 0.00 C ATOM 208 C LYS A 14 -6.627 -0.532 2.079 1.00 0.00 C ATOM 209 O LYS A 14 -7.029 -0.592 0.933 1.00 0.00 O ATOM 210 CB LYS A 14 -7.290 0.848 4.022 1.00 0.00 C ATOM 211 CG LYS A 14 -7.922 2.045 3.315 1.00 0.00 C ATOM 212 CD LYS A 14 -7.501 2.090 1.838 1.00 0.00 C ATOM 213 CE LYS A 14 -5.981 2.112 1.713 1.00 0.00 C ATOM 214 NZ LYS A 14 -5.511 3.530 1.795 1.00 0.00 N ATOM 0 H LYS A 14 -7.091 -1.335 5.115 1.00 0.00 H new ATOM 0 HA LYS A 14 -8.610 -0.416 2.878 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -7.678 0.768 5.037 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.212 0.990 4.103 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -9.008 1.984 3.387 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -7.621 2.967 3.812 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.902 1.223 1.314 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -7.923 2.974 1.361 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -5.528 1.518 2.507 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -5.674 1.667 0.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -4.480 3.547 1.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -5.751 4.027 0.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.975 4.004 2.596 1.00 0.00 H new ATOM 228 N LEU A 15 -5.358 -0.507 2.364 1.00 0.00 N ATOM 229 CA LEU A 15 -4.329 -0.557 1.281 1.00 0.00 C ATOM 230 C LEU A 15 -4.770 -1.499 0.166 1.00 0.00 C ATOM 231 O LEU A 15 -4.344 -1.366 -0.958 1.00 0.00 O ATOM 232 CB LEU A 15 -2.973 -1.025 1.824 1.00 0.00 C ATOM 233 CG LEU A 15 -3.104 -1.533 3.250 1.00 0.00 C ATOM 234 CD1 LEU A 15 -4.116 -2.665 3.301 1.00 0.00 C ATOM 235 CD2 LEU A 15 -1.754 -2.054 3.703 1.00 0.00 C ATOM 0 H LEU A 15 -4.981 -0.453 3.310 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.223 0.453 0.886 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.576 -1.816 1.188 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.260 -0.201 1.792 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.437 -0.724 3.900 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.207 -3.026 4.325 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.085 -2.303 2.957 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.784 -3.479 2.657 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.831 -2.423 4.726 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.439 -2.866 3.047 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.021 -1.249 3.662 1.00 0.00 H new ATOM 247 N LYS A 16 -5.615 -2.449 0.450 1.00 0.00 N ATOM 248 CA LYS A 16 -6.054 -3.363 -0.605 1.00 0.00 C ATOM 249 C LYS A 16 -7.239 -2.741 -1.331 1.00 0.00 C ATOM 250 O LYS A 16 -7.227 -2.579 -2.536 1.00 0.00 O ATOM 251 CB LYS A 16 -6.461 -4.683 0.026 1.00 0.00 C ATOM 252 CG LYS A 16 -5.580 -5.005 1.214 1.00 0.00 C ATOM 253 CD LYS A 16 -6.015 -6.362 1.747 1.00 0.00 C ATOM 254 CE LYS A 16 -7.402 -6.247 2.368 1.00 0.00 C ATOM 255 NZ LYS A 16 -8.326 -7.210 1.706 1.00 0.00 N ATOM 0 H LYS A 16 -6.014 -2.622 1.373 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.248 -3.540 -1.317 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -7.503 -4.634 0.343 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.390 -5.482 -0.712 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.531 -5.027 0.919 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.679 -4.240 1.984 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -6.027 -7.094 0.940 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -5.301 -6.718 2.490 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -7.351 -6.452 3.437 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -7.779 -5.230 2.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -9.272 -7.131 2.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -8.383 -6.994 0.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -7.969 -8.178 1.835 1.00 0.00 H new ATOM 269 N SER A 17 -8.254 -2.368 -0.601 1.00 0.00 N ATOM 270 CA SER A 17 -9.435 -1.722 -1.237 1.00 0.00 C ATOM 271 C SER A 17 -8.930 -0.708 -2.255 1.00 0.00 C ATOM 272 O SER A 17 -9.566 -0.425 -3.251 1.00 0.00 O ATOM 273 CB SER A 17 -10.252 -1.006 -0.169 1.00 0.00 C ATOM 274 OG SER A 17 -11.405 -1.773 0.144 1.00 0.00 O ATOM 0 H SER A 17 -8.316 -2.483 0.411 1.00 0.00 H new ATOM 0 HA SER A 17 -10.061 -2.468 -1.726 1.00 0.00 H new ATOM 0 HB2 SER A 17 -9.648 -0.857 0.726 1.00 0.00 H new ATOM 0 HB3 SER A 17 -10.546 -0.018 -0.523 1.00 0.00 H new ATOM 0 HG SER A 17 -11.928 -1.311 0.832 1.00 0.00 H new ATOM 280 N GLU A 18 -7.773 -0.171 -2.000 1.00 0.00 N ATOM 281 CA GLU A 18 -7.172 0.819 -2.924 1.00 0.00 C ATOM 282 C GLU A 18 -6.412 0.086 -4.023 1.00 0.00 C ATOM 283 O GLU A 18 -6.649 0.299 -5.191 1.00 0.00 O ATOM 284 CB GLU A 18 -6.186 1.671 -2.143 1.00 0.00 C ATOM 285 CG GLU A 18 -6.945 2.546 -1.137 1.00 0.00 C ATOM 286 CD GLU A 18 -7.576 3.735 -1.863 1.00 0.00 C ATOM 287 OE1 GLU A 18 -8.191 3.517 -2.895 1.00 0.00 O ATOM 288 OE2 GLU A 18 -7.436 4.845 -1.375 1.00 0.00 O ATOM 0 H GLU A 18 -7.211 -0.382 -1.175 1.00 0.00 H new ATOM 0 HA GLU A 18 -7.954 1.439 -3.363 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -5.473 1.033 -1.620 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -5.612 2.298 -2.825 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -7.717 1.959 -0.640 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.265 2.900 -0.362 1.00 0.00 H new ATOM 295 N LEU A 19 -5.455 -0.740 -3.658 1.00 0.00 N ATOM 296 CA LEU A 19 -4.651 -1.453 -4.684 1.00 0.00 C ATOM 297 C LEU A 19 -5.542 -1.856 -5.859 1.00 0.00 C ATOM 298 O LEU A 19 -5.112 -1.930 -6.991 1.00 0.00 O ATOM 299 CB LEU A 19 -3.998 -2.675 -4.071 1.00 0.00 C ATOM 300 CG LEU A 19 -2.656 -2.251 -3.488 1.00 0.00 C ATOM 301 CD1 LEU A 19 -2.480 -2.878 -2.112 1.00 0.00 C ATOM 302 CD2 LEU A 19 -1.570 -2.783 -4.397 1.00 0.00 C ATOM 0 H LEU A 19 -5.203 -0.945 -2.691 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.870 -0.788 -5.052 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.635 -3.097 -3.293 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.858 -3.450 -4.824 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.607 -1.165 -3.405 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.520 -2.575 -1.694 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.283 -2.545 -1.455 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.511 -3.964 -2.200 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.594 -2.495 -4.005 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.636 -3.870 -4.445 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.697 -2.368 -5.397 1.00 0.00 H new ATOM 314 N VAL A 20 -6.789 -2.096 -5.602 1.00 0.00 N ATOM 315 CA VAL A 20 -7.717 -2.454 -6.707 1.00 0.00 C ATOM 316 C VAL A 20 -7.991 -1.183 -7.523 1.00 0.00 C ATOM 317 O VAL A 20 -7.878 -1.160 -8.733 1.00 0.00 O ATOM 318 CB VAL A 20 -9.027 -2.989 -6.112 1.00 0.00 C ATOM 319 CG1 VAL A 20 -10.145 -2.912 -7.157 1.00 0.00 C ATOM 320 CG2 VAL A 20 -8.833 -4.444 -5.687 1.00 0.00 C ATOM 0 H VAL A 20 -7.210 -2.061 -4.674 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.282 -3.222 -7.346 1.00 0.00 H new ATOM 0 HB VAL A 20 -9.301 -2.384 -5.247 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -11.071 -3.293 -6.728 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.287 -1.875 -7.463 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.873 -3.512 -8.025 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -9.762 -4.826 -5.264 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -8.556 -5.043 -6.555 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -8.043 -4.502 -4.939 1.00 0.00 H new ATOM 330 N ALA A 21 -8.362 -0.129 -6.848 1.00 0.00 N ATOM 331 CA ALA A 21 -8.668 1.168 -7.524 1.00 0.00 C ATOM 332 C ALA A 21 -7.460 1.722 -8.305 1.00 0.00 C ATOM 333 O ALA A 21 -7.632 2.453 -9.260 1.00 0.00 O ATOM 334 CB ALA A 21 -9.062 2.187 -6.456 1.00 0.00 C ATOM 0 H ALA A 21 -8.469 -0.111 -5.834 1.00 0.00 H new ATOM 0 HA ALA A 21 -9.475 0.993 -8.236 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.289 3.142 -6.930 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.941 1.830 -5.919 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.237 2.317 -5.756 1.00 0.00 H new ATOM 340 N ASN A 22 -6.247 1.406 -7.925 1.00 0.00 N ATOM 341 CA ASN A 22 -5.085 1.953 -8.673 1.00 0.00 C ATOM 342 C ASN A 22 -4.857 1.085 -9.912 1.00 0.00 C ATOM 343 O ASN A 22 -5.140 1.479 -11.026 1.00 0.00 O ATOM 344 CB ASN A 22 -3.805 1.907 -7.804 1.00 0.00 C ATOM 345 CG ASN A 22 -3.991 1.002 -6.593 1.00 0.00 C ATOM 346 OD1 ASN A 22 -3.756 -0.174 -6.710 1.00 0.00 O ATOM 347 ND2 ASN A 22 -4.371 1.499 -5.433 1.00 0.00 N ATOM 0 H ASN A 22 -6.017 0.800 -7.138 1.00 0.00 H new ATOM 0 HA ASN A 22 -5.293 2.987 -8.946 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -2.968 1.548 -8.404 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -3.551 2.914 -7.473 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -4.469 0.887 -4.623 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -4.567 2.496 -5.345 1.00 0.00 H new ATOM 354 N ASN A 23 -4.345 -0.096 -9.714 1.00 0.00 N ATOM 355 CA ASN A 23 -4.086 -1.018 -10.855 1.00 0.00 C ATOM 356 C ASN A 23 -3.368 -2.257 -10.319 1.00 0.00 C ATOM 357 O ASN A 23 -2.315 -2.635 -10.793 1.00 0.00 O ATOM 358 CB ASN A 23 -3.202 -0.320 -11.892 1.00 0.00 C ATOM 359 CG ASN A 23 -2.940 -1.271 -13.062 1.00 0.00 C ATOM 360 OD1 ASN A 23 -3.799 -2.047 -13.432 1.00 0.00 O ATOM 361 ND2 ASN A 23 -1.783 -1.244 -13.663 1.00 0.00 N ATOM 0 H ASN A 23 -4.091 -0.467 -8.798 1.00 0.00 H new ATOM 0 HA ASN A 23 -5.026 -1.303 -11.328 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -3.689 0.587 -12.249 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -2.259 -0.018 -11.437 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -1.599 -1.874 -14.444 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -1.062 -0.593 -13.352 1.00 0.00 H new ATOM 368 N VAL A 24 -3.926 -2.878 -9.317 1.00 0.00 N ATOM 369 CA VAL A 24 -3.281 -4.079 -8.722 1.00 0.00 C ATOM 370 C VAL A 24 -4.349 -5.112 -8.365 1.00 0.00 C ATOM 371 O VAL A 24 -5.375 -4.785 -7.804 1.00 0.00 O ATOM 372 CB VAL A 24 -2.548 -3.663 -7.445 1.00 0.00 C ATOM 373 CG1 VAL A 24 -1.521 -4.732 -7.070 1.00 0.00 C ATOM 374 CG2 VAL A 24 -1.832 -2.331 -7.680 1.00 0.00 C ATOM 0 H VAL A 24 -4.807 -2.602 -8.883 1.00 0.00 H new ATOM 0 HA VAL A 24 -2.581 -4.511 -9.438 1.00 0.00 H new ATOM 0 HB VAL A 24 -3.269 -3.553 -6.634 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.000 -4.433 -6.160 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -2.029 -5.682 -6.902 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.800 -4.844 -7.880 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -1.309 -2.033 -6.771 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -1.113 -2.443 -8.492 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.563 -1.567 -7.945 1.00 0.00 H new ATOM 384 N THR A 25 -4.114 -6.361 -8.662 1.00 0.00 N ATOM 385 CA THR A 25 -5.116 -7.395 -8.310 1.00 0.00 C ATOM 386 C THR A 25 -5.002 -7.686 -6.817 1.00 0.00 C ATOM 387 O THR A 25 -4.043 -7.305 -6.176 1.00 0.00 O ATOM 388 CB THR A 25 -4.847 -8.675 -9.094 1.00 0.00 C ATOM 389 OG1 THR A 25 -3.646 -8.535 -9.840 1.00 0.00 O ATOM 390 CG2 THR A 25 -6.015 -8.954 -10.041 1.00 0.00 C ATOM 0 H THR A 25 -3.276 -6.704 -9.130 1.00 0.00 H new ATOM 0 HA THR A 25 -6.116 -7.036 -8.555 1.00 0.00 H new ATOM 0 HB THR A 25 -4.742 -9.508 -8.399 1.00 0.00 H new ATOM 0 HG1 THR A 25 -3.474 -9.359 -10.341 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.820 -9.869 -10.600 1.00 0.00 H new ATOM 0 HG22 THR A 25 -6.932 -9.070 -9.463 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.127 -8.122 -10.736 1.00 0.00 H new ATOM 398 N LEU A 26 -5.977 -8.335 -6.251 1.00 0.00 N ATOM 399 CA LEU A 26 -5.921 -8.622 -4.791 1.00 0.00 C ATOM 400 C LEU A 26 -5.725 -10.122 -4.558 1.00 0.00 C ATOM 401 O LEU A 26 -6.684 -10.868 -4.505 1.00 0.00 O ATOM 402 CB LEU A 26 -7.237 -8.189 -4.135 1.00 0.00 C ATOM 403 CG LEU A 26 -7.485 -6.678 -4.250 1.00 0.00 C ATOM 404 CD1 LEU A 26 -7.403 -6.028 -2.871 1.00 0.00 C ATOM 405 CD2 LEU A 26 -6.493 -5.986 -5.186 1.00 0.00 C ATOM 0 H LEU A 26 -6.808 -8.679 -6.732 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.086 -8.073 -4.356 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -8.064 -8.726 -4.600 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.225 -8.472 -3.083 1.00 0.00 H new ATOM 0 HG LEU A 26 -8.482 -6.556 -4.673 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -7.580 -4.956 -2.963 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -8.157 -6.466 -2.217 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.413 -6.197 -2.447 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.716 -4.920 -5.229 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.479 -6.130 -4.812 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.576 -6.414 -6.185 1.00 0.00 H new ATOM 417 N PRO A 27 -4.490 -10.517 -4.401 1.00 0.00 N ATOM 418 CA PRO A 27 -4.136 -11.918 -4.143 1.00 0.00 C ATOM 419 C PRO A 27 -4.421 -12.244 -2.675 1.00 0.00 C ATOM 420 O PRO A 27 -4.649 -11.361 -1.872 1.00 0.00 O ATOM 421 CB PRO A 27 -2.632 -11.967 -4.440 1.00 0.00 C ATOM 422 CG PRO A 27 -2.112 -10.521 -4.288 1.00 0.00 C ATOM 423 CD PRO A 27 -3.332 -9.603 -4.468 1.00 0.00 C ATOM 0 HA PRO A 27 -4.697 -12.637 -4.741 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -2.121 -12.638 -3.750 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -2.447 -12.343 -5.446 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -1.655 -10.373 -3.310 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -1.347 -10.302 -5.033 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -3.378 -8.845 -3.686 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -3.296 -9.076 -5.421 1.00 0.00 H new ATOM 431 N ALA A 28 -4.416 -13.496 -2.311 1.00 0.00 N ATOM 432 CA ALA A 28 -4.694 -13.844 -0.888 1.00 0.00 C ATOM 433 C ALA A 28 -6.182 -13.626 -0.600 1.00 0.00 C ATOM 434 O ALA A 28 -6.956 -13.319 -1.485 1.00 0.00 O ATOM 435 CB ALA A 28 -3.866 -12.932 0.024 1.00 0.00 C ATOM 0 H ALA A 28 -4.234 -14.287 -2.929 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.431 -14.886 -0.704 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.065 -13.182 1.066 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.806 -13.072 -0.187 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -4.137 -11.892 -0.158 1.00 0.00 H new ATOM 441 N GLY A 29 -6.585 -13.766 0.632 1.00 0.00 N ATOM 442 CA GLY A 29 -8.022 -13.548 0.976 1.00 0.00 C ATOM 443 C GLY A 29 -8.133 -12.276 1.814 1.00 0.00 C ATOM 444 O GLY A 29 -8.767 -11.314 1.426 1.00 0.00 O ATOM 0 H GLY A 29 -5.984 -14.021 1.416 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.619 -13.457 0.069 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -8.412 -14.402 1.530 1.00 0.00 H new ATOM 448 N GLU A 30 -7.499 -12.258 2.953 1.00 0.00 N ATOM 449 CA GLU A 30 -7.541 -11.045 3.816 1.00 0.00 C ATOM 450 C GLU A 30 -6.118 -10.503 3.947 1.00 0.00 C ATOM 451 O GLU A 30 -5.889 -9.309 3.935 1.00 0.00 O ATOM 452 CB GLU A 30 -8.080 -11.416 5.199 1.00 0.00 C ATOM 453 CG GLU A 30 -9.364 -10.629 5.472 1.00 0.00 C ATOM 454 CD GLU A 30 -10.375 -11.534 6.177 1.00 0.00 C ATOM 455 OE1 GLU A 30 -11.042 -12.291 5.490 1.00 0.00 O ATOM 456 OE2 GLU A 30 -10.467 -11.456 7.391 1.00 0.00 O ATOM 0 H GLU A 30 -6.951 -13.034 3.325 1.00 0.00 H new ATOM 0 HA GLU A 30 -8.193 -10.291 3.375 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -8.279 -12.487 5.249 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.335 -11.194 5.963 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.145 -9.759 6.091 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -9.782 -10.258 4.536 1.00 0.00 H new ATOM 463 N GLN A 31 -5.159 -11.381 4.060 1.00 0.00 N ATOM 464 CA GLN A 31 -3.741 -10.942 4.179 1.00 0.00 C ATOM 465 C GLN A 31 -2.862 -12.176 4.307 1.00 0.00 C ATOM 466 O GLN A 31 -2.916 -12.906 5.277 1.00 0.00 O ATOM 467 CB GLN A 31 -3.582 -10.044 5.418 1.00 0.00 C ATOM 468 CG GLN A 31 -2.164 -9.479 5.547 1.00 0.00 C ATOM 469 CD GLN A 31 -1.607 -9.868 6.920 1.00 0.00 C ATOM 470 OE1 GLN A 31 -0.948 -9.078 7.566 1.00 0.00 O ATOM 471 NE2 GLN A 31 -1.848 -11.058 7.399 1.00 0.00 N ATOM 0 H GLN A 31 -5.299 -12.391 4.075 1.00 0.00 H new ATOM 0 HA GLN A 31 -3.446 -10.373 3.297 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -4.295 -9.221 5.362 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -3.826 -10.617 6.313 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -1.527 -9.872 4.755 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -2.177 -8.395 5.437 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -2.401 -11.723 6.858 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -1.483 -11.323 8.314 1.00 0.00 H new ATOM 480 N ARG A 32 -2.052 -12.406 3.327 1.00 0.00 N ATOM 481 CA ARG A 32 -1.154 -13.560 3.333 1.00 0.00 C ATOM 482 C ARG A 32 -0.118 -13.349 4.441 1.00 0.00 C ATOM 483 O ARG A 32 0.129 -14.211 5.260 1.00 0.00 O ATOM 484 CB ARG A 32 -0.490 -13.565 1.956 1.00 0.00 C ATOM 485 CG ARG A 32 -1.140 -14.600 1.029 1.00 0.00 C ATOM 486 CD ARG A 32 -1.179 -14.051 -0.410 1.00 0.00 C ATOM 487 NE ARG A 32 0.201 -14.038 -0.970 1.00 0.00 N ATOM 488 CZ ARG A 32 0.780 -15.159 -1.304 1.00 0.00 C ATOM 489 NH1 ARG A 32 1.824 -15.578 -0.640 1.00 0.00 N ATOM 490 NH2 ARG A 32 0.316 -15.863 -2.299 1.00 0.00 N ATOM 0 H ARG A 32 -1.978 -11.817 2.497 1.00 0.00 H new ATOM 0 HA ARG A 32 -1.663 -14.506 3.519 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -0.567 -12.574 1.509 1.00 0.00 H new ATOM 0 HB3 ARG A 32 0.572 -13.785 2.063 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -0.578 -15.533 1.058 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -2.150 -14.826 1.371 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.829 -14.669 -1.029 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -1.596 -13.044 -0.416 1.00 0.00 H new ATOM 0 HE ARG A 32 0.694 -13.153 -1.092 1.00 0.00 H new ATOM 0 HH11 ARG A 32 2.187 -15.029 0.139 1.00 0.00 H new ATOM 0 HH12 ARG A 32 2.277 -16.454 -0.901 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -0.500 -15.538 -2.817 1.00 0.00 H new ATOM 0 HH22 ARG A 32 0.769 -16.739 -2.559 1.00 0.00 H new ATOM 504 N LYS A 33 0.469 -12.188 4.467 1.00 0.00 N ATOM 505 CA LYS A 33 1.480 -11.856 5.507 1.00 0.00 C ATOM 506 C LYS A 33 2.000 -10.457 5.196 1.00 0.00 C ATOM 507 O LYS A 33 3.015 -10.303 4.546 1.00 0.00 O ATOM 508 CB LYS A 33 2.631 -12.862 5.453 1.00 0.00 C ATOM 509 CG LYS A 33 3.426 -12.799 6.759 1.00 0.00 C ATOM 510 CD LYS A 33 2.586 -13.387 7.895 1.00 0.00 C ATOM 511 CE LYS A 33 2.356 -12.318 8.964 1.00 0.00 C ATOM 512 NZ LYS A 33 1.063 -12.578 9.656 1.00 0.00 N ATOM 0 H LYS A 33 0.287 -11.440 3.798 1.00 0.00 H new ATOM 0 HA LYS A 33 1.040 -11.895 6.504 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.241 -13.868 5.300 1.00 0.00 H new ATOM 0 HB3 LYS A 33 3.282 -12.641 4.607 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.359 -13.354 6.657 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.692 -11.767 6.986 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.631 -13.742 7.509 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.094 -14.248 8.330 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.174 -12.327 9.684 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.344 -11.328 8.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 0.906 -11.851 10.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 0.287 -12.549 8.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.092 -13.516 10.105 1.00 0.00 H new ATOM 526 N ASP A 34 1.302 -9.426 5.598 1.00 0.00 N ATOM 527 CA ASP A 34 1.785 -8.064 5.238 1.00 0.00 C ATOM 528 C ASP A 34 1.995 -8.076 3.727 1.00 0.00 C ATOM 529 O ASP A 34 2.887 -7.443 3.201 1.00 0.00 O ATOM 530 CB ASP A 34 3.117 -7.780 5.947 1.00 0.00 C ATOM 531 CG ASP A 34 2.974 -6.532 6.820 1.00 0.00 C ATOM 532 OD1 ASP A 34 3.088 -5.442 6.285 1.00 0.00 O ATOM 533 OD2 ASP A 34 2.752 -6.688 8.009 1.00 0.00 O ATOM 0 H ASP A 34 0.442 -9.466 6.145 1.00 0.00 H new ATOM 0 HA ASP A 34 1.074 -7.294 5.538 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.405 -8.634 6.560 1.00 0.00 H new ATOM 0 HB3 ASP A 34 3.909 -7.634 5.212 1.00 0.00 H new ATOM 538 N VAL A 35 1.181 -8.832 3.032 1.00 0.00 N ATOM 539 CA VAL A 35 1.325 -8.936 1.562 1.00 0.00 C ATOM 540 C VAL A 35 0.650 -7.759 0.882 1.00 0.00 C ATOM 541 O VAL A 35 1.020 -7.391 -0.198 1.00 0.00 O ATOM 542 CB VAL A 35 0.716 -10.252 1.074 1.00 0.00 C ATOM 543 CG1 VAL A 35 0.575 -10.215 -0.447 1.00 0.00 C ATOM 544 CG2 VAL A 35 1.646 -11.384 1.510 1.00 0.00 C ATOM 0 H VAL A 35 0.420 -9.382 3.430 1.00 0.00 H new ATOM 0 HA VAL A 35 2.385 -8.920 1.307 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.276 -10.408 1.498 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.141 -11.152 -0.795 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.074 -9.387 -0.732 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.557 -10.079 -0.900 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.239 -12.338 1.176 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.631 -11.236 1.068 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.732 -11.386 2.597 1.00 0.00 H new ATOM 554 N TYR A 36 -0.323 -7.157 1.496 1.00 0.00 N ATOM 555 CA TYR A 36 -0.977 -6.001 0.864 1.00 0.00 C ATOM 556 C TYR A 36 -0.156 -4.767 1.174 1.00 0.00 C ATOM 557 O TYR A 36 -0.095 -3.827 0.410 1.00 0.00 O ATOM 558 CB TYR A 36 -2.342 -5.838 1.476 1.00 0.00 C ATOM 559 CG TYR A 36 -3.237 -6.929 0.991 1.00 0.00 C ATOM 560 CD1 TYR A 36 -3.766 -6.893 -0.300 1.00 0.00 C ATOM 561 CD2 TYR A 36 -3.558 -7.961 1.856 1.00 0.00 C ATOM 562 CE1 TYR A 36 -4.629 -7.908 -0.721 1.00 0.00 C ATOM 563 CE2 TYR A 36 -4.409 -8.975 1.448 1.00 0.00 C ATOM 564 CZ TYR A 36 -4.953 -8.956 0.155 1.00 0.00 C ATOM 565 OH TYR A 36 -5.803 -9.964 -0.254 1.00 0.00 O ATOM 0 H TYR A 36 -0.690 -7.421 2.410 1.00 0.00 H new ATOM 0 HA TYR A 36 -1.059 -6.143 -0.214 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -2.271 -5.868 2.563 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -2.758 -4.866 1.210 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -3.510 -6.085 -0.970 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -3.143 -7.976 2.853 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -5.045 -7.886 -1.717 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -4.654 -9.780 2.125 1.00 0.00 H new ATOM 0 HH TYR A 36 -5.599 -10.208 -1.181 1.00 0.00 H new ATOM 575 N VAL A 37 0.476 -4.773 2.307 1.00 0.00 N ATOM 576 CA VAL A 37 1.306 -3.619 2.703 1.00 0.00 C ATOM 577 C VAL A 37 2.625 -3.691 1.925 1.00 0.00 C ATOM 578 O VAL A 37 3.132 -2.704 1.433 1.00 0.00 O ATOM 579 CB VAL A 37 1.563 -3.706 4.210 1.00 0.00 C ATOM 580 CG1 VAL A 37 2.596 -2.651 4.618 1.00 0.00 C ATOM 581 CG2 VAL A 37 0.253 -3.462 4.964 1.00 0.00 C ATOM 0 H VAL A 37 0.451 -5.538 2.981 1.00 0.00 H new ATOM 0 HA VAL A 37 0.809 -2.674 2.481 1.00 0.00 H new ATOM 0 HB VAL A 37 1.945 -4.697 4.457 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.777 -2.715 5.691 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.528 -2.828 4.081 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.219 -1.658 4.372 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.434 -3.524 6.037 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.130 -2.472 4.717 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.479 -4.217 4.676 1.00 0.00 H new ATOM 591 N GLN A 38 3.165 -4.868 1.776 1.00 0.00 N ATOM 592 CA GLN A 38 4.414 -5.014 0.994 1.00 0.00 C ATOM 593 C GLN A 38 4.024 -4.874 -0.472 1.00 0.00 C ATOM 594 O GLN A 38 4.618 -4.135 -1.227 1.00 0.00 O ATOM 595 CB GLN A 38 5.002 -6.403 1.256 1.00 0.00 C ATOM 596 CG GLN A 38 6.116 -6.691 0.254 1.00 0.00 C ATOM 597 CD GLN A 38 7.468 -6.351 0.883 1.00 0.00 C ATOM 598 OE1 GLN A 38 8.280 -5.676 0.282 1.00 0.00 O ATOM 599 NE2 GLN A 38 7.745 -6.794 2.078 1.00 0.00 N ATOM 0 H GLN A 38 2.791 -5.734 2.164 1.00 0.00 H new ATOM 0 HA GLN A 38 5.159 -4.267 1.268 1.00 0.00 H new ATOM 0 HB2 GLN A 38 5.392 -6.457 2.272 1.00 0.00 H new ATOM 0 HB3 GLN A 38 4.222 -7.160 1.173 1.00 0.00 H new ATOM 0 HG2 GLN A 38 6.093 -7.740 -0.040 1.00 0.00 H new ATOM 0 HG3 GLN A 38 5.966 -6.103 -0.652 1.00 0.00 H new ATOM 0 HE21 GLN A 38 7.063 -7.361 2.583 1.00 0.00 H new ATOM 0 HE22 GLN A 38 8.643 -6.574 2.508 1.00 0.00 H new ATOM 608 N LEU A 39 2.993 -5.573 -0.855 1.00 0.00 N ATOM 609 CA LEU A 39 2.496 -5.485 -2.271 1.00 0.00 C ATOM 610 C LEU A 39 2.458 -4.012 -2.660 1.00 0.00 C ATOM 611 O LEU A 39 3.088 -3.581 -3.603 1.00 0.00 O ATOM 612 CB LEU A 39 1.065 -6.067 -2.383 1.00 0.00 C ATOM 613 CG LEU A 39 1.125 -7.502 -2.882 1.00 0.00 C ATOM 614 CD1 LEU A 39 -0.199 -8.202 -2.572 1.00 0.00 C ATOM 615 CD2 LEU A 39 1.331 -7.469 -4.395 1.00 0.00 C ATOM 0 H LEU A 39 2.467 -6.205 -0.252 1.00 0.00 H new ATOM 0 HA LEU A 39 3.156 -6.053 -2.927 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.572 -6.031 -1.412 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.469 -5.461 -3.065 1.00 0.00 H new ATOM 0 HG LEU A 39 1.940 -8.039 -2.396 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.159 -9.231 -2.929 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.370 -8.198 -1.495 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.014 -7.677 -3.071 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.378 -8.488 -4.778 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.500 -6.943 -4.864 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.263 -6.952 -4.624 1.00 0.00 H new ATOM 627 N TYR A 40 1.720 -3.243 -1.921 1.00 0.00 N ATOM 628 CA TYR A 40 1.596 -1.799 -2.185 1.00 0.00 C ATOM 629 C TYR A 40 2.980 -1.164 -2.397 1.00 0.00 C ATOM 630 O TYR A 40 3.235 -0.542 -3.403 1.00 0.00 O ATOM 631 CB TYR A 40 0.865 -1.197 -0.971 1.00 0.00 C ATOM 632 CG TYR A 40 1.701 -0.155 -0.257 1.00 0.00 C ATOM 633 CD1 TYR A 40 2.110 1.013 -0.915 1.00 0.00 C ATOM 634 CD2 TYR A 40 2.059 -0.367 1.074 1.00 0.00 C ATOM 635 CE1 TYR A 40 2.872 1.966 -0.233 1.00 0.00 C ATOM 636 CE2 TYR A 40 2.824 0.582 1.751 1.00 0.00 C ATOM 637 CZ TYR A 40 3.226 1.748 1.100 1.00 0.00 C ATOM 638 OH TYR A 40 3.972 2.688 1.781 1.00 0.00 O ATOM 0 H TYR A 40 1.182 -3.571 -1.119 1.00 0.00 H new ATOM 0 HA TYR A 40 1.035 -1.605 -3.099 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -0.071 -0.746 -1.300 1.00 0.00 H new ATOM 0 HB3 TYR A 40 0.607 -1.994 -0.273 1.00 0.00 H new ATOM 0 HD1 TYR A 40 1.837 1.176 -1.947 1.00 0.00 H new ATOM 0 HD2 TYR A 40 1.743 -1.267 1.581 1.00 0.00 H new ATOM 0 HE1 TYR A 40 3.186 2.869 -0.736 1.00 0.00 H new ATOM 0 HE2 TYR A 40 3.105 0.414 2.780 1.00 0.00 H new ATOM 0 HH TYR A 40 4.096 3.479 1.216 1.00 0.00 H new ATOM 648 N LEU A 41 3.866 -1.288 -1.452 1.00 0.00 N ATOM 649 CA LEU A 41 5.203 -0.650 -1.610 1.00 0.00 C ATOM 650 C LEU A 41 5.924 -1.207 -2.851 1.00 0.00 C ATOM 651 O LEU A 41 6.817 -0.586 -3.389 1.00 0.00 O ATOM 652 CB LEU A 41 6.037 -0.931 -0.349 1.00 0.00 C ATOM 653 CG LEU A 41 6.825 0.322 0.070 1.00 0.00 C ATOM 654 CD1 LEU A 41 5.900 1.311 0.795 1.00 0.00 C ATOM 655 CD2 LEU A 41 7.958 -0.090 1.011 1.00 0.00 C ATOM 0 H LEU A 41 3.725 -1.800 -0.581 1.00 0.00 H new ATOM 0 HA LEU A 41 5.078 0.425 -1.743 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.382 -1.244 0.464 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.726 -1.754 -0.538 1.00 0.00 H new ATOM 0 HG LEU A 41 7.233 0.802 -0.819 1.00 0.00 H new ATOM 0 HD11 LEU A 41 6.469 2.194 1.087 1.00 0.00 H new ATOM 0 HD12 LEU A 41 5.089 1.606 0.129 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.485 0.836 1.684 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.521 0.794 1.312 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.540 -0.572 1.895 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.622 -0.786 0.498 1.00 0.00 H new ATOM 667 N GLN A 42 5.560 -2.378 -3.299 1.00 0.00 N ATOM 668 CA GLN A 42 6.248 -2.983 -4.485 1.00 0.00 C ATOM 669 C GLN A 42 5.785 -2.341 -5.806 1.00 0.00 C ATOM 670 O GLN A 42 6.571 -1.760 -6.527 1.00 0.00 O ATOM 671 CB GLN A 42 5.945 -4.487 -4.521 1.00 0.00 C ATOM 672 CG GLN A 42 7.171 -5.279 -4.997 1.00 0.00 C ATOM 673 CD GLN A 42 6.762 -6.730 -5.258 1.00 0.00 C ATOM 674 OE1 GLN A 42 7.085 -7.613 -4.488 1.00 0.00 O ATOM 675 NE2 GLN A 42 6.060 -7.016 -6.320 1.00 0.00 N ATOM 0 H GLN A 42 4.815 -2.946 -2.897 1.00 0.00 H new ATOM 0 HA GLN A 42 7.319 -2.805 -4.384 1.00 0.00 H new ATOM 0 HB2 GLN A 42 5.650 -4.827 -3.528 1.00 0.00 H new ATOM 0 HB3 GLN A 42 5.103 -4.677 -5.186 1.00 0.00 H new ATOM 0 HG2 GLN A 42 7.576 -4.834 -5.906 1.00 0.00 H new ATOM 0 HG3 GLN A 42 7.959 -5.240 -4.244 1.00 0.00 H new ATOM 0 HE21 GLN A 42 5.789 -6.275 -6.967 1.00 0.00 H new ATOM 0 HE22 GLN A 42 5.783 -7.980 -6.504 1.00 0.00 H new ATOM 684 N HIS A 43 4.527 -2.461 -6.139 1.00 0.00 N ATOM 685 CA HIS A 43 4.027 -1.881 -7.426 1.00 0.00 C ATOM 686 C HIS A 43 3.829 -0.391 -7.276 1.00 0.00 C ATOM 687 O HIS A 43 4.100 0.387 -8.170 1.00 0.00 O ATOM 688 CB HIS A 43 2.664 -2.479 -7.761 1.00 0.00 C ATOM 689 CG HIS A 43 2.621 -3.909 -7.327 1.00 0.00 C ATOM 690 ND1 HIS A 43 2.939 -4.960 -8.172 1.00 0.00 N ATOM 691 CD2 HIS A 43 2.294 -4.470 -6.130 1.00 0.00 C ATOM 692 CE1 HIS A 43 2.795 -6.098 -7.468 1.00 0.00 C ATOM 693 NE2 HIS A 43 2.401 -5.856 -6.214 1.00 0.00 N ATOM 0 H HIS A 43 3.821 -2.936 -5.576 1.00 0.00 H new ATOM 0 HA HIS A 43 4.756 -2.100 -8.206 1.00 0.00 H new ATOM 0 HB2 HIS A 43 1.876 -1.914 -7.263 1.00 0.00 H new ATOM 0 HB3 HIS A 43 2.479 -2.408 -8.833 1.00 0.00 H new ATOM 0 HD1 HIS A 43 3.229 -4.885 -9.147 1.00 0.00 H new ATOM 0 HD2 HIS A 43 1.996 -3.922 -5.248 1.00 0.00 H new ATOM 0 HE1 HIS A 43 2.976 -7.085 -7.867 1.00 0.00 H new ATOM 701 N LEU A 44 3.321 0.004 -6.158 1.00 0.00 N ATOM 702 CA LEU A 44 3.054 1.437 -5.939 1.00 0.00 C ATOM 703 C LEU A 44 4.326 2.137 -5.450 1.00 0.00 C ATOM 704 O LEU A 44 4.462 3.335 -5.581 1.00 0.00 O ATOM 705 CB LEU A 44 1.931 1.582 -4.911 1.00 0.00 C ATOM 706 CG LEU A 44 0.596 0.925 -5.378 1.00 0.00 C ATOM 707 CD1 LEU A 44 -0.495 1.924 -5.124 1.00 0.00 C ATOM 708 CD2 LEU A 44 0.542 0.628 -6.878 1.00 0.00 C ATOM 0 H LEU A 44 3.077 -0.608 -5.380 1.00 0.00 H new ATOM 0 HA LEU A 44 2.746 1.904 -6.875 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.244 1.128 -3.971 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.760 2.640 -4.713 1.00 0.00 H new ATOM 0 HG LEU A 44 0.497 -0.017 -4.838 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.452 1.506 -5.437 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.532 2.159 -4.060 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.294 2.834 -5.690 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.417 0.172 -7.124 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.657 1.557 -7.437 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.348 -0.057 -7.143 1.00 0.00 H new ATOM 720 N THR A 45 5.279 1.414 -4.918 1.00 0.00 N ATOM 721 CA THR A 45 6.532 2.078 -4.472 1.00 0.00 C ATOM 722 C THR A 45 6.217 3.339 -3.678 1.00 0.00 C ATOM 723 O THR A 45 7.019 4.248 -3.604 1.00 0.00 O ATOM 724 CB THR A 45 7.328 2.474 -5.707 1.00 0.00 C ATOM 725 OG1 THR A 45 6.507 2.333 -6.858 1.00 0.00 O ATOM 726 CG2 THR A 45 8.544 1.561 -5.831 1.00 0.00 C ATOM 0 H THR A 45 5.241 0.405 -4.776 1.00 0.00 H new ATOM 0 HA THR A 45 7.096 1.391 -3.840 1.00 0.00 H new ATOM 0 HB THR A 45 7.657 3.510 -5.621 1.00 0.00 H new ATOM 0 HG1 THR A 45 7.015 2.589 -7.656 1.00 0.00 H new ATOM 0 HG21 THR A 45 9.119 1.839 -6.714 1.00 0.00 H new ATOM 0 HG22 THR A 45 9.169 1.664 -4.944 1.00 0.00 H new ATOM 0 HG23 THR A 45 8.214 0.526 -5.924 1.00 0.00 H new ATOM 734 N ALA A 46 5.060 3.422 -3.103 1.00 0.00 N ATOM 735 CA ALA A 46 4.715 4.645 -2.346 1.00 0.00 C ATOM 736 C ALA A 46 5.034 5.849 -3.220 1.00 0.00 C ATOM 737 O ALA A 46 5.755 6.741 -2.827 1.00 0.00 O ATOM 738 CB ALA A 46 5.529 4.728 -1.056 1.00 0.00 C ATOM 0 H ALA A 46 4.340 2.700 -3.124 1.00 0.00 H new ATOM 0 HA ALA A 46 3.657 4.625 -2.084 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.260 5.635 -0.514 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.317 3.858 -0.435 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.592 4.751 -1.297 1.00 0.00 H new ATOM 744 N ARG A 47 4.472 5.856 -4.394 1.00 0.00 N ATOM 745 CA ARG A 47 4.653 6.963 -5.383 1.00 0.00 C ATOM 746 C ARG A 47 5.284 8.202 -4.732 1.00 0.00 C ATOM 747 O ARG A 47 6.480 8.403 -4.804 1.00 0.00 O ATOM 748 CB ARG A 47 3.249 7.338 -5.896 1.00 0.00 C ATOM 749 CG ARG A 47 2.165 6.729 -4.994 1.00 0.00 C ATOM 750 CD ARG A 47 1.580 5.501 -5.674 1.00 0.00 C ATOM 751 NE ARG A 47 0.684 5.921 -6.788 1.00 0.00 N ATOM 752 CZ ARG A 47 0.586 5.183 -7.860 1.00 0.00 C ATOM 753 NH1 ARG A 47 -0.414 4.355 -7.993 1.00 0.00 N ATOM 754 NH2 ARG A 47 1.487 5.273 -8.798 1.00 0.00 N ATOM 0 H ARG A 47 3.866 5.106 -4.726 1.00 0.00 H new ATOM 0 HA ARG A 47 5.314 6.633 -6.184 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.142 8.422 -5.921 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.122 6.982 -6.918 1.00 0.00 H new ATOM 0 HG2 ARG A 47 2.590 6.457 -4.028 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.381 7.461 -4.802 1.00 0.00 H new ATOM 0 HD2 ARG A 47 2.382 4.870 -6.058 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.023 4.905 -4.952 1.00 0.00 H new ATOM 0 HE ARG A 47 0.147 6.785 -6.713 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -1.119 4.285 -7.259 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.491 3.778 -8.831 1.00 0.00 H new ATOM 0 HH21 ARG A 47 2.269 5.920 -8.694 1.00 0.00 H new ATOM 0 HH22 ARG A 47 1.410 4.696 -9.636 1.00 0.00 H new ATOM 768 N ASN A 48 4.507 9.025 -4.090 1.00 0.00 N ATOM 769 CA ASN A 48 5.100 10.236 -3.431 1.00 0.00 C ATOM 770 C ASN A 48 5.631 9.839 -2.053 1.00 0.00 C ATOM 771 O ASN A 48 4.938 9.927 -1.060 1.00 0.00 O ATOM 772 CB ASN A 48 4.042 11.345 -3.276 1.00 0.00 C ATOM 773 CG ASN A 48 2.807 10.977 -4.069 1.00 0.00 C ATOM 774 OD1 ASN A 48 1.701 11.012 -3.568 1.00 0.00 O ATOM 775 ND2 ASN A 48 2.959 10.629 -5.310 1.00 0.00 N ATOM 0 H ASN A 48 3.497 8.921 -3.989 1.00 0.00 H new ATOM 0 HA ASN A 48 5.910 10.618 -4.052 1.00 0.00 H new ATOM 0 HB2 ASN A 48 3.787 11.475 -2.224 1.00 0.00 H new ATOM 0 HB3 ASN A 48 4.442 12.296 -3.627 1.00 0.00 H new ATOM 0 HD21 ASN A 48 2.146 10.382 -5.874 1.00 0.00 H new ATOM 0 HD22 ASN A 48 3.892 10.603 -5.722 1.00 0.00 H new ATOM 782 N ARG A 49 6.858 9.393 -1.986 1.00 0.00 N ATOM 783 CA ARG A 49 7.430 8.985 -0.671 1.00 0.00 C ATOM 784 C ARG A 49 7.867 10.202 0.164 1.00 0.00 C ATOM 785 O ARG A 49 7.583 10.278 1.343 1.00 0.00 O ATOM 786 CB ARG A 49 8.629 8.038 -0.847 1.00 0.00 C ATOM 787 CG ARG A 49 8.655 7.449 -2.261 1.00 0.00 C ATOM 788 CD ARG A 49 9.078 5.981 -2.186 1.00 0.00 C ATOM 789 NE ARG A 49 10.459 5.888 -1.635 1.00 0.00 N ATOM 790 CZ ARG A 49 10.752 4.963 -0.761 1.00 0.00 C ATOM 791 NH1 ARG A 49 10.767 5.251 0.512 1.00 0.00 N ATOM 792 NH2 ARG A 49 11.028 3.752 -1.159 1.00 0.00 N ATOM 0 H ARG A 49 7.487 9.294 -2.783 1.00 0.00 H new ATOM 0 HA ARG A 49 6.635 8.461 -0.140 1.00 0.00 H new ATOM 0 HB2 ARG A 49 9.556 8.579 -0.656 1.00 0.00 H new ATOM 0 HB3 ARG A 49 8.573 7.233 -0.114 1.00 0.00 H new ATOM 0 HG2 ARG A 49 7.671 7.533 -2.721 1.00 0.00 H new ATOM 0 HG3 ARG A 49 9.349 8.008 -2.888 1.00 0.00 H new ATOM 0 HD2 ARG A 49 8.385 5.424 -1.555 1.00 0.00 H new ATOM 0 HD3 ARG A 49 9.040 5.530 -3.177 1.00 0.00 H new ATOM 0 HE ARG A 49 11.175 6.547 -1.940 1.00 0.00 H new ATOM 0 HH11 ARG A 49 10.550 6.198 0.823 1.00 0.00 H new ATOM 0 HH12 ARG A 49 10.996 4.529 1.196 1.00 0.00 H new ATOM 0 HH21 ARG A 49 11.015 3.527 -2.154 1.00 0.00 H new ATOM 0 HH22 ARG A 49 11.257 3.030 -0.476 1.00 0.00 H new ATOM 806 N PRO A 50 8.559 11.099 -0.473 1.00 0.00 N ATOM 807 CA PRO A 50 9.084 12.320 0.157 1.00 0.00 C ATOM 808 C PRO A 50 7.986 13.389 0.257 1.00 0.00 C ATOM 809 O PRO A 50 7.374 13.730 -0.735 1.00 0.00 O ATOM 810 CB PRO A 50 10.179 12.771 -0.815 1.00 0.00 C ATOM 811 CG PRO A 50 9.831 12.137 -2.185 1.00 0.00 C ATOM 812 CD PRO A 50 8.869 10.970 -1.893 1.00 0.00 C ATOM 0 HA PRO A 50 9.447 12.157 1.172 1.00 0.00 H new ATOM 0 HB2 PRO A 50 10.212 13.858 -0.887 1.00 0.00 H new ATOM 0 HB3 PRO A 50 11.161 12.444 -0.473 1.00 0.00 H new ATOM 0 HG2 PRO A 50 9.365 12.869 -2.844 1.00 0.00 H new ATOM 0 HG3 PRO A 50 10.730 11.782 -2.688 1.00 0.00 H new ATOM 0 HD2 PRO A 50 7.968 11.036 -2.503 1.00 0.00 H new ATOM 0 HD3 PRO A 50 9.333 10.008 -2.112 1.00 0.00 H new ATOM 820 N PRO A 51 7.773 13.895 1.448 1.00 0.00 N ATOM 821 CA PRO A 51 6.763 14.932 1.690 1.00 0.00 C ATOM 822 C PRO A 51 7.287 16.304 1.245 1.00 0.00 C ATOM 823 O PRO A 51 6.668 17.321 1.488 1.00 0.00 O ATOM 824 CB PRO A 51 6.549 14.887 3.205 1.00 0.00 C ATOM 825 CG PRO A 51 7.825 14.252 3.801 1.00 0.00 C ATOM 826 CD PRO A 51 8.508 13.481 2.656 1.00 0.00 C ATOM 0 HA PRO A 51 5.839 14.768 1.135 1.00 0.00 H new ATOM 0 HB2 PRO A 51 6.389 15.888 3.606 1.00 0.00 H new ATOM 0 HB3 PRO A 51 5.667 14.298 3.456 1.00 0.00 H new ATOM 0 HG2 PRO A 51 8.488 15.018 4.202 1.00 0.00 H new ATOM 0 HG3 PRO A 51 7.576 13.583 4.625 1.00 0.00 H new ATOM 0 HD2 PRO A 51 9.566 13.732 2.583 1.00 0.00 H new ATOM 0 HD3 PRO A 51 8.446 12.404 2.810 1.00 0.00 H new ATOM 834 N LEU A 52 8.421 16.342 0.591 1.00 0.00 N ATOM 835 CA LEU A 52 8.971 17.649 0.132 1.00 0.00 C ATOM 836 C LEU A 52 9.145 18.582 1.337 1.00 0.00 C ATOM 837 O LEU A 52 8.223 19.276 1.718 1.00 0.00 O ATOM 838 CB LEU A 52 8.003 18.285 -0.869 1.00 0.00 C ATOM 839 CG LEU A 52 8.154 17.602 -2.232 1.00 0.00 C ATOM 840 CD1 LEU A 52 9.476 18.036 -2.875 1.00 0.00 C ATOM 841 CD2 LEU A 52 8.153 16.080 -2.049 1.00 0.00 C ATOM 0 H LEU A 52 8.986 15.526 0.357 1.00 0.00 H new ATOM 0 HA LEU A 52 9.937 17.489 -0.346 1.00 0.00 H new ATOM 0 HB2 LEU A 52 6.978 18.186 -0.513 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.207 19.352 -0.961 1.00 0.00 H new ATOM 0 HG LEU A 52 7.322 17.890 -2.875 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.585 17.551 -3.845 1.00 0.00 H new ATOM 0 HD12 LEU A 52 9.478 19.118 -3.008 1.00 0.00 H new ATOM 0 HD13 LEU A 52 10.306 17.748 -2.230 1.00 0.00 H new ATOM 0 HD21 LEU A 52 8.261 15.597 -3.020 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.984 15.790 -1.406 1.00 0.00 H new ATOM 0 HD23 LEU A 52 7.214 15.769 -1.591 1.00 0.00 H new ATOM 853 N PRO A 53 10.326 18.566 1.900 1.00 0.00 N ATOM 854 CA PRO A 53 10.661 19.399 3.069 1.00 0.00 C ATOM 855 C PRO A 53 10.916 20.841 2.648 1.00 0.00 C ATOM 856 O PRO A 53 11.254 21.681 3.458 1.00 0.00 O ATOM 857 CB PRO A 53 11.932 18.752 3.622 1.00 0.00 C ATOM 858 CG PRO A 53 12.565 17.964 2.448 1.00 0.00 C ATOM 859 CD PRO A 53 11.439 17.716 1.426 1.00 0.00 C ATOM 0 HA PRO A 53 9.859 19.442 3.806 1.00 0.00 H new ATOM 0 HB2 PRO A 53 12.621 19.508 3.999 1.00 0.00 H new ATOM 0 HB3 PRO A 53 11.700 18.089 4.455 1.00 0.00 H new ATOM 0 HG2 PRO A 53 13.380 18.530 1.997 1.00 0.00 H new ATOM 0 HG3 PRO A 53 12.986 17.021 2.797 1.00 0.00 H new ATOM 0 HD2 PRO A 53 11.749 17.991 0.418 1.00 0.00 H new ATOM 0 HD3 PRO A 53 11.153 16.665 1.396 1.00 0.00 H new ATOM 867 N ALA A 54 10.743 21.146 1.393 1.00 0.00 N ATOM 868 CA ALA A 54 10.960 22.545 0.952 1.00 0.00 C ATOM 869 C ALA A 54 12.455 22.871 0.975 1.00 0.00 C ATOM 870 O ALA A 54 12.851 24.003 1.173 1.00 0.00 O ATOM 871 CB ALA A 54 10.218 23.468 1.916 1.00 0.00 C ATOM 0 H ALA A 54 10.463 20.492 0.662 1.00 0.00 H new ATOM 0 HA ALA A 54 10.589 22.681 -0.064 1.00 0.00 H new ATOM 0 HB1 ALA A 54 10.363 24.505 1.612 1.00 0.00 H new ATOM 0 HB2 ALA A 54 9.154 23.231 1.901 1.00 0.00 H new ATOM 0 HB3 ALA A 54 10.606 23.328 2.925 1.00 0.00 H new ATOM 877 N GLY A 55 13.291 21.889 0.776 1.00 0.00 N ATOM 878 CA GLY A 55 14.759 22.148 0.787 1.00 0.00 C ATOM 879 C GLY A 55 15.488 21.014 0.066 1.00 0.00 C ATOM 880 O GLY A 55 16.651 20.758 0.308 1.00 0.00 O ATOM 0 H GLY A 55 13.022 20.920 0.606 1.00 0.00 H new ATOM 0 HA2 GLY A 55 14.974 23.099 0.300 1.00 0.00 H new ATOM 0 HA3 GLY A 55 15.116 22.228 1.814 1.00 0.00 H new ATOM 884 N THR A 56 14.816 20.330 -0.820 1.00 0.00 N ATOM 885 CA THR A 56 15.475 19.214 -1.556 1.00 0.00 C ATOM 886 C THR A 56 14.468 18.567 -2.509 1.00 0.00 C ATOM 887 O THR A 56 13.302 18.510 -2.157 1.00 0.00 O ATOM 888 CB THR A 56 15.975 18.169 -0.555 1.00 0.00 C ATOM 889 OG1 THR A 56 16.830 17.251 -1.222 1.00 0.00 O ATOM 890 CG2 THR A 56 14.783 17.418 0.042 1.00 0.00 C ATOM 891 OXT THR A 56 14.881 18.141 -3.574 1.00 0.00 O ATOM 0 H THR A 56 13.840 20.496 -1.066 1.00 0.00 H new ATOM 0 HA THR A 56 16.318 19.603 -2.128 1.00 0.00 H new ATOM 0 HB THR A 56 16.525 18.665 0.245 1.00 0.00 H new ATOM 0 HG1 THR A 56 17.153 16.582 -0.583 1.00 0.00 H new ATOM 0 HG21 THR A 56 15.141 16.675 0.754 1.00 0.00 H new ATOM 0 HG22 THR A 56 14.127 18.123 0.552 1.00 0.00 H new ATOM 0 HG23 THR A 56 14.230 16.920 -0.755 1.00 0.00 H new TER 899 THR A 56