USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 607 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 61 GLN : amide:sc= -0.26 K(o=-10,f=-9.5) USER MOD Set 1.2: A 64 HIS : no HD1:sc= -9.93! C(o=-10!,f=-14!) USER MOD Set 2.1: A 27 ASN : amide:sc= -5.42! K(o=-12!,f=-10) USER MOD Set 2.2: A 38 LYS NZ :NH3+ -136:sc= -6.32! (180deg=-4.63!) USER MOD Set 3.1: A 24 LYS NZ :NH3+ -155:sc= -0.298 (180deg=-1.02) USER MOD Set 3.2: A 31 LYS NZ :NH3+ -165:sc= -0.234 (180deg=-0.682) USER MOD Set 4.1: A 3 HIS : no HD1:sc= -3.2 K(o=-6,f=-6.9) USER MOD Set 4.2: A 67 MET CE :methyl -130:sc= -2.75 (180deg=-6.8!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 MET CE :methyl 167:sc= 0 (180deg=-0.239) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 38:sc= -2.31! USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.103 USER MOD Single : A 13 MET CE :methyl -163:sc= -4.87! (180deg=-6.7!) USER MOD Single : A 17 ASN : amide:sc= -1.23 K(o=-1.2,f=-2) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= -0.313 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl -173:sc= -3.96! (180deg=-4.39!) USER MOD Single : A 44 LYS NZ :NH3+ -158:sc= -0.0242 (180deg=-0.177) USER MOD Single : A 47 LYS NZ :NH3+ -141:sc= 0 (180deg=-0.557) USER MOD Single : A 49 LYS NZ :NH3+ -179:sc= 0.596 (180deg=0.595) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 30:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -1.84! K(o=-1.8!,f=-0.68) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 -15.494 -15.531 8.326 1.00 0.00 N ATOM 2 CA SER A 2 -15.532 -14.139 7.892 1.00 0.00 C ATOM 3 C SER A 2 -14.426 -13.330 8.562 1.00 0.00 C ATOM 4 O SER A 2 -14.461 -13.096 9.770 1.00 0.00 O ATOM 5 CB SER A 2 -16.895 -13.521 8.208 1.00 0.00 C ATOM 6 OG SER A 2 -17.302 -12.630 7.185 1.00 0.00 O ATOM 0 HA SER A 2 -15.372 -14.116 6.814 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.638 -14.311 8.323 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.845 -12.990 9.158 1.00 0.00 H new ATOM 0 HG SER A 2 -18.177 -12.250 7.411 1.00 0.00 H new ATOM 12 N HIS A 3 -13.445 -12.907 7.767 1.00 0.00 N ATOM 13 CA HIS A 3 -12.321 -12.121 8.272 1.00 0.00 C ATOM 14 C HIS A 3 -11.753 -12.726 9.556 1.00 0.00 C ATOM 15 O HIS A 3 -12.105 -13.842 9.936 1.00 0.00 O ATOM 16 CB HIS A 3 -12.750 -10.670 8.516 1.00 0.00 C ATOM 17 CG HIS A 3 -13.702 -10.504 9.660 1.00 0.00 C ATOM 18 ND1 HIS A 3 -13.294 -10.430 10.975 1.00 0.00 N ATOM 19 CD2 HIS A 3 -15.053 -10.397 9.682 1.00 0.00 C ATOM 20 CE1 HIS A 3 -14.350 -10.284 11.756 1.00 0.00 C ATOM 21 NE2 HIS A 3 -15.429 -10.261 10.996 1.00 0.00 N ATOM 0 H HIS A 3 -13.406 -13.097 6.766 1.00 0.00 H new ATOM 0 HA HIS A 3 -11.537 -12.136 7.515 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -11.863 -10.066 8.704 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -13.215 -10.281 7.610 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -15.711 -10.415 8.826 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -14.333 -10.198 12.832 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -16.387 -10.159 11.330 1.00 0.00 H new ATOM 30 N MET A 4 -10.872 -11.982 10.217 1.00 0.00 N ATOM 31 CA MET A 4 -10.257 -12.445 11.455 1.00 0.00 C ATOM 32 C MET A 4 -9.565 -11.294 12.183 1.00 0.00 C ATOM 33 O MET A 4 -9.006 -10.397 11.552 1.00 0.00 O ATOM 34 CB MET A 4 -9.250 -13.558 11.161 1.00 0.00 C ATOM 35 CG MET A 4 -9.334 -14.726 12.131 1.00 0.00 C ATOM 36 SD MET A 4 -8.769 -16.276 11.401 1.00 0.00 S ATOM 37 CE MET A 4 -7.164 -15.790 10.773 1.00 0.00 C ATOM 0 H MET A 4 -10.568 -11.056 9.916 1.00 0.00 H new ATOM 0 HA MET A 4 -11.044 -12.837 12.100 1.00 0.00 H new ATOM 0 HB2 MET A 4 -9.413 -13.925 10.148 1.00 0.00 H new ATOM 0 HB3 MET A 4 -8.243 -13.143 11.192 1.00 0.00 H new ATOM 0 HG2 MET A 4 -8.734 -14.504 13.014 1.00 0.00 H new ATOM 0 HG3 MET A 4 -10.365 -14.841 12.467 1.00 0.00 H new ATOM 0 HE1 MET A 4 -6.595 -16.679 10.502 1.00 0.00 H new ATOM 0 HE2 MET A 4 -7.293 -15.160 9.893 1.00 0.00 H new ATOM 0 HE3 MET A 4 -6.626 -15.235 11.541 1.00 0.00 H new ATOM 47 N PRO A 5 -9.595 -11.303 13.528 1.00 0.00 N ATOM 48 CA PRO A 5 -8.968 -10.255 14.338 1.00 0.00 C ATOM 49 C PRO A 5 -7.448 -10.376 14.365 1.00 0.00 C ATOM 50 O PRO A 5 -6.860 -10.698 15.398 1.00 0.00 O ATOM 51 CB PRO A 5 -9.555 -10.493 15.732 1.00 0.00 C ATOM 52 CG PRO A 5 -9.829 -11.958 15.762 1.00 0.00 C ATOM 53 CD PRO A 5 -10.239 -12.333 14.364 1.00 0.00 C ATOM 0 HA PRO A 5 -9.163 -9.258 13.944 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -8.855 -10.202 16.515 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -10.465 -9.913 15.886 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -8.944 -12.514 16.071 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -10.618 -12.193 16.476 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -9.898 -13.334 14.101 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -11.323 -12.324 14.248 1.00 0.00 H new ATOM 61 N LYS A 6 -6.813 -10.114 13.222 1.00 0.00 N ATOM 62 CA LYS A 6 -5.355 -10.188 13.118 1.00 0.00 C ATOM 63 C LYS A 6 -4.706 -9.026 13.868 1.00 0.00 C ATOM 64 O LYS A 6 -3.913 -8.269 13.306 1.00 0.00 O ATOM 65 CB LYS A 6 -4.925 -10.172 11.649 1.00 0.00 C ATOM 66 CG LYS A 6 -5.332 -8.908 10.910 1.00 0.00 C ATOM 67 CD LYS A 6 -6.571 -9.134 10.058 1.00 0.00 C ATOM 68 CE LYS A 6 -7.498 -7.929 10.092 1.00 0.00 C ATOM 69 NZ LYS A 6 -8.127 -7.674 8.766 1.00 0.00 N ATOM 0 H LYS A 6 -7.284 -9.849 12.357 1.00 0.00 H new ATOM 0 HA LYS A 6 -5.024 -11.123 13.571 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -3.842 -10.282 11.595 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -5.358 -11.034 11.143 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.524 -8.111 11.629 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.510 -8.575 10.277 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -6.274 -9.337 9.029 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -7.104 -10.015 10.416 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -8.276 -8.091 10.838 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -6.937 -7.048 10.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -8.751 -6.845 8.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -7.386 -7.494 8.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -8.684 -8.505 8.480 1.00 0.00 H new ATOM 83 N ARG A 7 -5.068 -8.891 15.138 1.00 0.00 N ATOM 84 CA ARG A 7 -4.560 -7.831 15.999 1.00 0.00 C ATOM 85 C ARG A 7 -4.605 -6.461 15.330 1.00 0.00 C ATOM 86 O ARG A 7 -3.933 -5.530 15.769 1.00 0.00 O ATOM 87 CB ARG A 7 -3.146 -8.139 16.485 1.00 0.00 C ATOM 88 CG ARG A 7 -2.947 -7.832 17.962 1.00 0.00 C ATOM 89 CD ARG A 7 -2.594 -6.370 18.186 1.00 0.00 C ATOM 90 NE ARG A 7 -2.555 -6.026 19.604 1.00 0.00 N ATOM 91 CZ ARG A 7 -1.602 -6.431 20.440 1.00 0.00 C ATOM 92 NH1 ARG A 7 -0.606 -7.192 20.005 1.00 0.00 N ATOM 93 NH2 ARG A 7 -1.645 -6.071 21.716 1.00 0.00 N ATOM 0 H ARG A 7 -5.726 -9.518 15.602 1.00 0.00 H new ATOM 0 HA ARG A 7 -5.225 -7.793 16.862 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -2.927 -9.191 16.305 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -2.432 -7.560 15.899 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -3.857 -8.076 18.511 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -2.154 -8.464 18.362 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -1.624 -6.158 17.735 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -3.325 -5.739 17.680 1.00 0.00 H new ATOM 0 HE ARG A 7 -3.303 -5.440 19.976 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -0.567 -7.470 19.024 1.00 0.00 H new ATOM 0 HH12 ARG A 7 0.121 -7.499 20.651 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -2.408 -5.485 22.055 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -0.915 -6.381 22.358 1.00 0.00 H new ATOM 107 N ALA A 8 -5.416 -6.323 14.288 1.00 0.00 N ATOM 108 CA ALA A 8 -5.563 -5.048 13.598 1.00 0.00 C ATOM 109 C ALA A 8 -4.349 -4.684 12.749 1.00 0.00 C ATOM 110 O ALA A 8 -3.292 -5.308 12.839 1.00 0.00 O ATOM 111 CB ALA A 8 -5.868 -3.955 14.602 1.00 0.00 C ATOM 0 H ALA A 8 -5.982 -7.079 13.902 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.397 -5.150 12.903 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.977 -3.003 14.082 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -6.794 -4.190 15.126 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.052 -3.884 15.321 1.00 0.00 H new ATOM 117 N THR A 9 -4.539 -3.675 11.903 1.00 0.00 N ATOM 118 CA THR A 9 -3.507 -3.200 10.985 1.00 0.00 C ATOM 119 C THR A 9 -2.873 -1.899 11.450 1.00 0.00 C ATOM 120 O THR A 9 -3.572 -0.919 11.657 1.00 0.00 O ATOM 121 CB THR A 9 -4.143 -2.934 9.630 1.00 0.00 C ATOM 122 OG1 THR A 9 -5.394 -2.289 9.786 1.00 0.00 O ATOM 123 CG2 THR A 9 -4.378 -4.173 8.824 1.00 0.00 C ATOM 0 H THR A 9 -5.417 -3.161 11.834 1.00 0.00 H new ATOM 0 HA THR A 9 -2.736 -3.969 10.938 1.00 0.00 H new ATOM 0 HB THR A 9 -3.429 -2.305 9.098 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.341 -1.647 10.525 1.00 0.00 H new ATOM 0 HG21 THR A 9 -4.834 -3.906 7.871 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.428 -4.676 8.644 1.00 0.00 H new ATOM 0 HG23 THR A 9 -5.044 -4.841 9.370 1.00 0.00 H new ATOM 131 N THR A 10 -1.550 -1.877 11.569 1.00 0.00 N ATOM 132 CA THR A 10 -0.838 -0.670 11.957 1.00 0.00 C ATOM 133 C THR A 10 -1.142 0.426 10.963 1.00 0.00 C ATOM 134 O THR A 10 -1.473 0.148 9.809 1.00 0.00 O ATOM 135 CB THR A 10 0.672 -0.929 12.013 1.00 0.00 C ATOM 136 OG1 THR A 10 0.976 -2.245 11.577 1.00 0.00 O ATOM 137 CG2 THR A 10 1.256 -0.759 13.398 1.00 0.00 C ATOM 0 H THR A 10 -0.950 -2.685 11.401 1.00 0.00 H new ATOM 0 HA THR A 10 -1.167 -0.364 12.950 1.00 0.00 H new ATOM 0 HB THR A 10 1.116 -0.184 11.353 1.00 0.00 H new ATOM 0 HG1 THR A 10 1.945 -2.388 11.619 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.328 -0.957 13.368 1.00 0.00 H new ATOM 0 HG22 THR A 10 1.085 0.261 13.742 1.00 0.00 H new ATOM 0 HG23 THR A 10 0.777 -1.459 14.083 1.00 0.00 H new ATOM 145 N ALA A 11 -1.022 1.668 11.401 1.00 0.00 N ATOM 146 CA ALA A 11 -1.273 2.799 10.530 1.00 0.00 C ATOM 147 C ALA A 11 -0.622 2.535 9.187 1.00 0.00 C ATOM 148 O ALA A 11 -1.201 2.782 8.130 1.00 0.00 O ATOM 149 CB ALA A 11 -0.724 4.074 11.151 1.00 0.00 C ATOM 0 H ALA A 11 -0.753 1.916 12.353 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.347 2.928 10.393 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -0.919 4.916 10.487 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.209 4.249 12.111 1.00 0.00 H new ATOM 0 HB3 ALA A 11 0.351 3.972 11.301 1.00 0.00 H new ATOM 155 N PHE A 12 0.603 2.036 9.258 1.00 0.00 N ATOM 156 CA PHE A 12 1.397 1.729 8.075 1.00 0.00 C ATOM 157 C PHE A 12 0.884 0.503 7.338 1.00 0.00 C ATOM 158 O PHE A 12 1.001 0.402 6.119 1.00 0.00 O ATOM 159 CB PHE A 12 2.834 1.465 8.504 1.00 0.00 C ATOM 160 CG PHE A 12 3.822 1.558 7.380 1.00 0.00 C ATOM 161 CD1 PHE A 12 3.868 0.577 6.403 1.00 0.00 C ATOM 162 CD2 PHE A 12 4.705 2.622 7.301 1.00 0.00 C ATOM 163 CE1 PHE A 12 4.775 0.656 5.366 1.00 0.00 C ATOM 164 CE2 PHE A 12 5.614 2.704 6.266 1.00 0.00 C ATOM 165 CZ PHE A 12 5.650 1.721 5.298 1.00 0.00 C ATOM 0 H PHE A 12 1.076 1.832 10.138 1.00 0.00 H new ATOM 0 HA PHE A 12 1.329 2.582 7.400 1.00 0.00 H new ATOM 0 HB2 PHE A 12 3.110 2.179 9.279 1.00 0.00 H new ATOM 0 HB3 PHE A 12 2.895 0.472 8.949 1.00 0.00 H new ATOM 0 HD1 PHE A 12 3.186 -0.259 6.453 1.00 0.00 H new ATOM 0 HD2 PHE A 12 4.682 3.394 8.056 1.00 0.00 H new ATOM 0 HE1 PHE A 12 4.800 -0.114 4.609 1.00 0.00 H new ATOM 0 HE2 PHE A 12 6.298 3.538 6.213 1.00 0.00 H new ATOM 0 HZ PHE A 12 6.362 1.785 4.488 1.00 0.00 H new ATOM 175 N MET A 13 0.346 -0.439 8.085 1.00 0.00 N ATOM 176 CA MET A 13 -0.146 -1.664 7.505 1.00 0.00 C ATOM 177 C MET A 13 -1.473 -1.411 6.826 1.00 0.00 C ATOM 178 O MET A 13 -1.621 -1.642 5.627 1.00 0.00 O ATOM 179 CB MET A 13 -0.283 -2.734 8.597 1.00 0.00 C ATOM 180 CG MET A 13 -1.078 -3.963 8.185 1.00 0.00 C ATOM 181 SD MET A 13 -0.192 -5.002 7.014 1.00 0.00 S ATOM 182 CE MET A 13 -0.574 -4.159 5.486 1.00 0.00 C ATOM 0 H MET A 13 0.240 -0.376 9.097 1.00 0.00 H new ATOM 0 HA MET A 13 0.559 -2.024 6.756 1.00 0.00 H new ATOM 0 HB2 MET A 13 0.714 -3.049 8.905 1.00 0.00 H new ATOM 0 HB3 MET A 13 -0.759 -2.285 9.469 1.00 0.00 H new ATOM 0 HG2 MET A 13 -1.321 -4.548 9.072 1.00 0.00 H new ATOM 0 HG3 MET A 13 -2.023 -3.648 7.742 1.00 0.00 H new ATOM 0 HE1 MET A 13 -0.366 -4.820 4.644 1.00 0.00 H new ATOM 0 HE2 MET A 13 -1.628 -3.881 5.478 1.00 0.00 H new ATOM 0 HE3 MET A 13 0.039 -3.262 5.403 1.00 0.00 H new ATOM 192 N LEU A 14 -2.449 -0.967 7.600 1.00 0.00 N ATOM 193 CA LEU A 14 -3.771 -0.727 7.071 1.00 0.00 C ATOM 194 C LEU A 14 -3.751 0.160 5.830 1.00 0.00 C ATOM 195 O LEU A 14 -4.592 0.006 4.945 1.00 0.00 O ATOM 196 CB LEU A 14 -4.709 -0.232 8.202 1.00 0.00 C ATOM 197 CG LEU A 14 -5.092 1.260 8.331 1.00 0.00 C ATOM 198 CD1 LEU A 14 -4.438 1.843 9.556 1.00 0.00 C ATOM 199 CD2 LEU A 14 -4.747 2.114 7.132 1.00 0.00 C ATOM 0 H LEU A 14 -2.346 -0.767 8.595 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.186 -1.668 6.709 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.639 -0.792 8.111 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.251 -0.525 9.146 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.179 1.276 8.406 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.708 2.895 9.647 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.777 1.304 10.441 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.355 1.753 9.468 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.054 3.143 7.318 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.671 2.082 6.960 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.267 1.733 6.253 1.00 0.00 H new ATOM 211 N TRP A 15 -2.784 1.072 5.745 1.00 0.00 N ATOM 212 CA TRP A 15 -2.686 1.942 4.580 1.00 0.00 C ATOM 213 C TRP A 15 -1.939 1.218 3.490 1.00 0.00 C ATOM 214 O TRP A 15 -2.343 1.222 2.329 1.00 0.00 O ATOM 215 CB TRP A 15 -1.969 3.257 4.896 1.00 0.00 C ATOM 216 CG TRP A 15 -1.155 3.766 3.737 1.00 0.00 C ATOM 217 CD1 TRP A 15 -1.535 4.679 2.796 1.00 0.00 C ATOM 218 CD2 TRP A 15 0.175 3.366 3.390 1.00 0.00 C ATOM 219 NE1 TRP A 15 -0.520 4.875 1.888 1.00 0.00 N ATOM 220 CE2 TRP A 15 0.543 4.074 2.229 1.00 0.00 C ATOM 221 CE3 TRP A 15 1.093 2.476 3.950 1.00 0.00 C ATOM 222 CZ2 TRP A 15 1.799 3.905 1.628 1.00 0.00 C ATOM 223 CZ3 TRP A 15 2.321 2.322 3.343 1.00 0.00 C ATOM 224 CH2 TRP A 15 2.652 3.029 2.208 1.00 0.00 C ATOM 0 H TRP A 15 -2.070 1.225 6.457 1.00 0.00 H new ATOM 0 HA TRP A 15 -3.699 2.189 4.261 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -2.706 4.010 5.176 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -1.317 3.113 5.758 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -2.494 5.176 2.768 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -0.552 5.511 1.091 1.00 0.00 H new ATOM 0 HE3 TRP A 15 0.846 1.919 4.842 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 2.074 4.452 0.738 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 3.038 1.633 3.766 1.00 0.00 H new ATOM 0 HH2 TRP A 15 3.626 2.879 1.766 1.00 0.00 H new ATOM 235 N LEU A 16 -0.859 0.562 3.883 1.00 0.00 N ATOM 236 CA LEU A 16 -0.080 -0.198 2.936 1.00 0.00 C ATOM 237 C LEU A 16 -0.928 -1.319 2.389 1.00 0.00 C ATOM 238 O LEU A 16 -0.629 -1.893 1.365 1.00 0.00 O ATOM 239 CB LEU A 16 1.174 -0.784 3.567 1.00 0.00 C ATOM 240 CG LEU A 16 2.061 -1.518 2.568 1.00 0.00 C ATOM 241 CD1 LEU A 16 2.616 -0.534 1.564 1.00 0.00 C ATOM 242 CD2 LEU A 16 3.188 -2.254 3.273 1.00 0.00 C ATOM 0 H LEU A 16 -0.510 0.544 4.841 1.00 0.00 H new ATOM 0 HA LEU A 16 0.232 0.478 2.140 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.748 0.018 4.032 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.886 -1.472 4.362 1.00 0.00 H new ATOM 0 HG LEU A 16 1.457 -2.261 2.047 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.250 -1.061 0.851 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.794 -0.053 1.033 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.205 0.222 2.083 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.804 -2.768 2.535 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.801 -1.540 3.823 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.769 -2.983 3.967 1.00 0.00 H new ATOM 254 N ASN A 17 -2.004 -1.616 3.074 1.00 0.00 N ATOM 255 CA ASN A 17 -2.907 -2.656 2.665 1.00 0.00 C ATOM 256 C ASN A 17 -3.702 -2.211 1.444 1.00 0.00 C ATOM 257 O ASN A 17 -3.678 -2.834 0.355 1.00 0.00 O ATOM 258 CB ASN A 17 -3.865 -2.908 3.843 1.00 0.00 C ATOM 259 CG ASN A 17 -3.991 -4.367 4.218 1.00 0.00 C ATOM 260 OD1 ASN A 17 -3.691 -5.260 3.426 1.00 0.00 O ATOM 261 ND2 ASN A 17 -4.442 -4.608 5.444 1.00 0.00 N ATOM 0 H ASN A 17 -2.277 -1.140 3.934 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.359 -3.561 2.401 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -3.517 -2.347 4.710 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -4.851 -2.520 3.588 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -4.553 -5.569 5.767 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -4.677 -3.832 6.063 1.00 0.00 H new ATOM 268 N ASP A 18 -4.324 -1.059 1.624 1.00 0.00 N ATOM 269 CA ASP A 18 -5.110 -0.442 0.590 1.00 0.00 C ATOM 270 C ASP A 18 -4.232 0.183 -0.463 1.00 0.00 C ATOM 271 O ASP A 18 -4.648 0.340 -1.611 1.00 0.00 O ATOM 272 CB ASP A 18 -6.049 0.608 1.187 1.00 0.00 C ATOM 273 CG ASP A 18 -7.466 0.479 0.663 1.00 0.00 C ATOM 274 OD1 ASP A 18 -8.236 -0.328 1.226 1.00 0.00 O ATOM 275 OD2 ASP A 18 -7.805 1.183 -0.311 1.00 0.00 O ATOM 0 H ASP A 18 -4.293 -0.530 2.496 1.00 0.00 H new ATOM 0 HA ASP A 18 -5.707 -1.220 0.115 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -6.055 0.511 2.273 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -5.669 1.604 0.958 1.00 0.00 H new ATOM 280 N THR A 19 -3.020 0.559 -0.085 1.00 0.00 N ATOM 281 CA THR A 19 -2.112 1.181 -1.014 1.00 0.00 C ATOM 282 C THR A 19 -1.057 0.214 -1.523 1.00 0.00 C ATOM 283 O THR A 19 -0.584 0.392 -2.630 1.00 0.00 O ATOM 284 CB THR A 19 -1.470 2.381 -0.342 1.00 0.00 C ATOM 285 OG1 THR A 19 -1.897 3.588 -0.945 1.00 0.00 O ATOM 286 CG2 THR A 19 0.042 2.375 -0.342 1.00 0.00 C ATOM 0 H THR A 19 -2.650 0.441 0.858 1.00 0.00 H new ATOM 0 HA THR A 19 -2.678 1.504 -1.888 1.00 0.00 H new ATOM 0 HB THR A 19 -1.799 2.311 0.695 1.00 0.00 H new ATOM 0 HG1 THR A 19 -1.472 4.347 -0.494 1.00 0.00 H new ATOM 0 HG21 THR A 19 0.409 3.270 0.159 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.402 1.491 0.184 1.00 0.00 H new ATOM 0 HG23 THR A 19 0.406 2.359 -1.369 1.00 0.00 H new ATOM 294 N ARG A 20 -0.699 -0.826 -0.751 1.00 0.00 N ATOM 295 CA ARG A 20 0.292 -1.787 -1.248 1.00 0.00 C ATOM 296 C ARG A 20 -0.245 -2.353 -2.515 1.00 0.00 C ATOM 297 O ARG A 20 0.488 -2.612 -3.469 1.00 0.00 O ATOM 298 CB ARG A 20 0.603 -2.930 -0.285 1.00 0.00 C ATOM 299 CG ARG A 20 -0.463 -4.006 -0.257 1.00 0.00 C ATOM 300 CD ARG A 20 -0.550 -4.651 1.108 1.00 0.00 C ATOM 301 NE ARG A 20 0.113 -5.953 1.145 1.00 0.00 N ATOM 302 CZ ARG A 20 -0.112 -6.872 2.080 1.00 0.00 C ATOM 303 NH1 ARG A 20 -0.981 -6.638 3.056 1.00 0.00 N ATOM 304 NH2 ARG A 20 0.533 -8.030 2.041 1.00 0.00 N ATOM 0 H ARG A 20 -1.065 -1.017 0.182 1.00 0.00 H new ATOM 0 HA ARG A 20 1.232 -1.252 -1.381 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.555 -3.381 -0.565 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.725 -2.525 0.719 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.428 -3.573 -0.520 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.239 -4.764 -1.007 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.096 -3.993 1.849 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -1.597 -4.770 1.386 1.00 0.00 H new ATOM 0 HE ARG A 20 0.787 -6.170 0.411 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -1.481 -5.749 3.092 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -1.149 -7.347 3.770 1.00 0.00 H new ATOM 0 HH21 ARG A 20 1.202 -8.216 1.294 1.00 0.00 H new ATOM 0 HH22 ARG A 20 0.360 -8.734 2.758 1.00 0.00 H new ATOM 318 N GLU A 21 -1.563 -2.469 -2.545 1.00 0.00 N ATOM 319 CA GLU A 21 -2.200 -2.926 -3.761 1.00 0.00 C ATOM 320 C GLU A 21 -1.859 -1.897 -4.843 1.00 0.00 C ATOM 321 O GLU A 21 -1.521 -2.232 -5.982 1.00 0.00 O ATOM 322 CB GLU A 21 -3.718 -3.060 -3.558 1.00 0.00 C ATOM 323 CG GLU A 21 -4.558 -2.498 -4.695 1.00 0.00 C ATOM 324 CD GLU A 21 -5.955 -3.083 -4.732 1.00 0.00 C ATOM 325 OE1 GLU A 21 -6.804 -2.647 -3.925 1.00 0.00 O ATOM 326 OE2 GLU A 21 -6.203 -3.978 -5.569 1.00 0.00 O ATOM 0 H GLU A 21 -2.191 -2.260 -1.769 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.844 -3.914 -4.053 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.963 -4.114 -3.429 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.994 -2.553 -2.634 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.624 -1.415 -4.592 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.059 -2.698 -5.643 1.00 0.00 H new ATOM 333 N SER A 22 -1.978 -0.633 -4.442 1.00 0.00 N ATOM 334 CA SER A 22 -1.722 0.494 -5.331 1.00 0.00 C ATOM 335 C SER A 22 -0.245 0.603 -5.700 1.00 0.00 C ATOM 336 O SER A 22 0.126 1.296 -6.647 1.00 0.00 O ATOM 337 CB SER A 22 -2.198 1.798 -4.688 1.00 0.00 C ATOM 338 OG SER A 22 -3.489 1.647 -4.123 1.00 0.00 O ATOM 0 H SER A 22 -2.253 -0.364 -3.497 1.00 0.00 H new ATOM 0 HA SER A 22 -2.282 0.318 -6.249 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.493 2.104 -3.915 1.00 0.00 H new ATOM 0 HB3 SER A 22 -2.215 2.591 -5.436 1.00 0.00 H new ATOM 0 HG SER A 22 -3.769 2.494 -3.717 1.00 0.00 H new ATOM 344 N ILE A 23 0.585 -0.072 -4.929 1.00 0.00 N ATOM 345 CA ILE A 23 2.017 -0.047 -5.143 1.00 0.00 C ATOM 346 C ILE A 23 2.433 -1.078 -6.171 1.00 0.00 C ATOM 347 O ILE A 23 3.025 -0.746 -7.197 1.00 0.00 O ATOM 348 CB ILE A 23 2.783 -0.309 -3.843 1.00 0.00 C ATOM 349 CG1 ILE A 23 2.154 0.472 -2.695 1.00 0.00 C ATOM 350 CG2 ILE A 23 4.244 0.064 -4.015 1.00 0.00 C ATOM 351 CD1 ILE A 23 3.005 0.555 -1.440 1.00 0.00 C ATOM 0 H ILE A 23 0.288 -0.649 -4.142 1.00 0.00 H new ATOM 0 HA ILE A 23 2.263 0.950 -5.508 1.00 0.00 H new ATOM 0 HB ILE A 23 2.726 -1.371 -3.604 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.938 1.484 -3.038 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.200 0.011 -2.440 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.780 -0.126 -3.085 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.681 -0.535 -4.814 1.00 0.00 H new ATOM 0 HG23 ILE A 23 4.322 1.121 -4.269 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.476 1.129 -0.679 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.201 -0.450 -1.066 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.950 1.046 -1.673 1.00 0.00 H new ATOM 363 N LYS A 24 2.150 -2.337 -5.873 1.00 0.00 N ATOM 364 CA LYS A 24 2.535 -3.413 -6.769 1.00 0.00 C ATOM 365 C LYS A 24 2.056 -3.148 -8.196 1.00 0.00 C ATOM 366 O LYS A 24 2.748 -3.482 -9.155 1.00 0.00 O ATOM 367 CB LYS A 24 2.036 -4.764 -6.270 1.00 0.00 C ATOM 368 CG LYS A 24 3.135 -5.811 -6.182 1.00 0.00 C ATOM 369 CD LYS A 24 4.119 -5.482 -5.078 1.00 0.00 C ATOM 370 CE LYS A 24 5.150 -6.585 -4.906 1.00 0.00 C ATOM 371 NZ LYS A 24 4.513 -7.902 -4.624 1.00 0.00 N ATOM 0 H LYS A 24 1.661 -2.635 -5.029 1.00 0.00 H new ATOM 0 HA LYS A 24 3.624 -3.447 -6.782 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.584 -4.637 -5.286 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.252 -5.124 -6.937 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.694 -6.791 -5.999 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.661 -5.871 -7.135 1.00 0.00 H new ATOM 0 HD2 LYS A 24 4.623 -4.543 -5.306 1.00 0.00 H new ATOM 0 HD3 LYS A 24 3.581 -5.335 -4.141 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.755 -6.660 -5.810 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.826 -6.326 -4.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 5.184 -8.509 -4.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 3.662 -7.759 -4.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.248 -8.359 -5.520 1.00 0.00 H new ATOM 385 N ARG A 25 0.894 -2.513 -8.341 1.00 0.00 N ATOM 386 CA ARG A 25 0.392 -2.179 -9.670 1.00 0.00 C ATOM 387 C ARG A 25 1.269 -1.072 -10.243 1.00 0.00 C ATOM 388 O ARG A 25 1.665 -1.097 -11.407 1.00 0.00 O ATOM 389 CB ARG A 25 -1.067 -1.722 -9.606 1.00 0.00 C ATOM 390 CG ARG A 25 -2.000 -2.749 -8.982 1.00 0.00 C ATOM 391 CD ARG A 25 -3.411 -2.204 -8.817 1.00 0.00 C ATOM 392 NE ARG A 25 -3.421 -0.818 -8.352 1.00 0.00 N ATOM 393 CZ ARG A 25 -4.458 0.004 -8.491 1.00 0.00 C ATOM 394 NH1 ARG A 25 -5.574 -0.416 -9.077 1.00 0.00 N ATOM 395 NH2 ARG A 25 -4.382 1.249 -8.042 1.00 0.00 N ATOM 0 H ARG A 25 0.293 -2.224 -7.569 1.00 0.00 H new ATOM 0 HA ARG A 25 0.430 -3.061 -10.309 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.124 -0.796 -9.033 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -1.413 -1.495 -10.615 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -2.026 -3.643 -9.606 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.611 -3.050 -8.009 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -3.937 -2.269 -9.770 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -3.958 -2.826 -8.108 1.00 0.00 H new ATOM 0 HE ARG A 25 -2.583 -0.460 -7.894 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -5.639 -1.373 -9.423 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -6.366 0.219 -9.181 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -3.528 1.577 -7.590 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -5.177 1.879 -8.149 1.00 0.00 H new ATOM 409 N GLU A 26 1.581 -0.117 -9.374 1.00 0.00 N ATOM 410 CA GLU A 26 2.435 1.005 -9.722 1.00 0.00 C ATOM 411 C GLU A 26 3.855 0.506 -9.960 1.00 0.00 C ATOM 412 O GLU A 26 4.692 1.213 -10.520 1.00 0.00 O ATOM 413 CB GLU A 26 2.420 2.057 -8.612 1.00 0.00 C ATOM 414 CG GLU A 26 1.160 2.908 -8.600 1.00 0.00 C ATOM 415 CD GLU A 26 1.316 4.189 -9.395 1.00 0.00 C ATOM 416 OE1 GLU A 26 2.051 5.088 -8.936 1.00 0.00 O ATOM 417 OE2 GLU A 26 0.700 4.294 -10.477 1.00 0.00 O ATOM 0 H GLU A 26 1.248 -0.102 -8.410 1.00 0.00 H new ATOM 0 HA GLU A 26 2.059 1.469 -10.634 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.521 1.558 -7.648 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.287 2.707 -8.727 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.331 2.330 -9.008 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.901 3.153 -7.570 1.00 0.00 H new ATOM 424 N ASN A 27 4.106 -0.736 -9.545 1.00 0.00 N ATOM 425 CA ASN A 27 5.399 -1.361 -9.722 1.00 0.00 C ATOM 426 C ASN A 27 5.226 -2.872 -9.837 1.00 0.00 C ATOM 427 O ASN A 27 5.455 -3.609 -8.877 1.00 0.00 O ATOM 428 CB ASN A 27 6.332 -1.009 -8.563 1.00 0.00 C ATOM 429 CG ASN A 27 6.281 0.463 -8.202 1.00 0.00 C ATOM 430 OD1 ASN A 27 7.200 1.221 -8.511 1.00 0.00 O ATOM 431 ND2 ASN A 27 5.204 0.874 -7.544 1.00 0.00 N ATOM 0 H ASN A 27 3.417 -1.327 -9.080 1.00 0.00 H new ATOM 0 HA ASN A 27 5.852 -0.986 -10.640 1.00 0.00 H new ATOM 0 HB2 ASN A 27 6.062 -1.603 -7.690 1.00 0.00 H new ATOM 0 HB3 ASN A 27 7.354 -1.279 -8.829 1.00 0.00 H new ATOM 0 HD21 ASN A 27 5.114 1.853 -7.274 1.00 0.00 H new ATOM 0 HD22 ASN A 27 4.466 0.210 -7.308 1.00 0.00 H new ATOM 438 N PRO A 28 4.792 -3.353 -11.019 1.00 0.00 N ATOM 439 CA PRO A 28 4.558 -4.782 -11.262 1.00 0.00 C ATOM 440 C PRO A 28 5.844 -5.587 -11.403 1.00 0.00 C ATOM 441 O PRO A 28 5.960 -6.442 -12.282 1.00 0.00 O ATOM 442 CB PRO A 28 3.781 -4.791 -12.579 1.00 0.00 C ATOM 443 CG PRO A 28 4.220 -3.554 -13.282 1.00 0.00 C ATOM 444 CD PRO A 28 4.475 -2.533 -12.206 1.00 0.00 C ATOM 0 HA PRO A 28 4.034 -5.247 -10.427 1.00 0.00 H new ATOM 0 HB2 PRO A 28 4.006 -5.682 -13.166 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.705 -4.787 -12.405 1.00 0.00 H new ATOM 0 HG2 PRO A 28 5.121 -3.737 -13.868 1.00 0.00 H new ATOM 0 HG3 PRO A 28 3.454 -3.207 -13.976 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.300 -1.871 -12.468 1.00 0.00 H new ATOM 0 HD3 PRO A 28 3.602 -1.902 -12.036 1.00 0.00 H new ATOM 452 N GLY A 29 6.806 -5.318 -10.531 1.00 0.00 N ATOM 453 CA GLY A 29 8.066 -6.031 -10.572 1.00 0.00 C ATOM 454 C GLY A 29 8.852 -5.891 -9.285 1.00 0.00 C ATOM 455 O GLY A 29 10.050 -6.170 -9.254 1.00 0.00 O ATOM 0 H GLY A 29 6.735 -4.616 -9.794 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.877 -7.087 -10.766 1.00 0.00 H new ATOM 0 HA3 GLY A 29 8.665 -5.657 -11.403 1.00 0.00 H new ATOM 459 N ILE A 30 8.185 -5.454 -8.216 1.00 0.00 N ATOM 460 CA ILE A 30 8.840 -5.280 -6.942 1.00 0.00 C ATOM 461 C ILE A 30 8.699 -6.533 -6.081 1.00 0.00 C ATOM 462 O ILE A 30 8.592 -7.645 -6.596 1.00 0.00 O ATOM 463 CB ILE A 30 8.305 -4.024 -6.199 1.00 0.00 C ATOM 464 CG1 ILE A 30 6.975 -4.280 -5.479 1.00 0.00 C ATOM 465 CG2 ILE A 30 8.122 -2.882 -7.179 1.00 0.00 C ATOM 466 CD1 ILE A 30 6.450 -3.057 -4.751 1.00 0.00 C ATOM 0 H ILE A 30 7.193 -5.217 -8.218 1.00 0.00 H new ATOM 0 HA ILE A 30 9.902 -5.121 -7.132 1.00 0.00 H new ATOM 0 HB ILE A 30 9.048 -3.768 -5.443 1.00 0.00 H new ATOM 0 HG12 ILE A 30 6.233 -4.610 -6.206 1.00 0.00 H new ATOM 0 HG13 ILE A 30 7.105 -5.093 -4.765 1.00 0.00 H new ATOM 0 HG21 ILE A 30 7.747 -2.006 -6.651 1.00 0.00 H new ATOM 0 HG22 ILE A 30 9.079 -2.644 -7.643 1.00 0.00 H new ATOM 0 HG23 ILE A 30 7.408 -3.174 -7.949 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.507 -3.302 -4.262 1.00 0.00 H new ATOM 0 HD12 ILE A 30 7.176 -2.740 -4.002 1.00 0.00 H new ATOM 0 HD13 ILE A 30 6.289 -2.249 -5.465 1.00 0.00 H new ATOM 478 N LYS A 31 8.713 -6.341 -4.778 1.00 0.00 N ATOM 479 CA LYS A 31 8.605 -7.416 -3.832 1.00 0.00 C ATOM 480 C LYS A 31 7.932 -6.931 -2.571 1.00 0.00 C ATOM 481 O LYS A 31 8.024 -5.763 -2.198 1.00 0.00 O ATOM 482 CB LYS A 31 9.992 -7.970 -3.508 1.00 0.00 C ATOM 483 CG LYS A 31 10.298 -9.290 -4.194 1.00 0.00 C ATOM 484 CD LYS A 31 9.353 -10.390 -3.736 1.00 0.00 C ATOM 485 CE LYS A 31 8.270 -10.660 -4.769 1.00 0.00 C ATOM 486 NZ LYS A 31 6.945 -10.902 -4.134 1.00 0.00 N ATOM 0 H LYS A 31 8.801 -5.420 -4.348 1.00 0.00 H new ATOM 0 HA LYS A 31 8.001 -8.211 -4.269 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.744 -7.236 -3.800 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.078 -8.103 -2.430 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.218 -9.167 -5.274 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.327 -9.581 -3.982 1.00 0.00 H new ATOM 0 HD2 LYS A 31 9.918 -11.304 -3.553 1.00 0.00 H new ATOM 0 HD3 LYS A 31 8.892 -10.105 -2.790 1.00 0.00 H new ATOM 0 HE2 LYS A 31 8.197 -9.811 -5.449 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.549 -11.526 -5.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.299 -11.326 -4.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 7.059 -11.549 -3.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.550 -10.000 -3.800 1.00 0.00 H new ATOM 500 N VAL A 32 7.278 -7.860 -1.928 1.00 0.00 N ATOM 501 CA VAL A 32 6.578 -7.636 -0.678 1.00 0.00 C ATOM 502 C VAL A 32 7.296 -6.624 0.221 1.00 0.00 C ATOM 503 O VAL A 32 6.668 -5.874 0.968 1.00 0.00 O ATOM 504 CB VAL A 32 6.470 -8.983 0.066 1.00 0.00 C ATOM 505 CG1 VAL A 32 7.256 -10.063 -0.667 1.00 0.00 C ATOM 506 CG2 VAL A 32 6.960 -8.870 1.493 1.00 0.00 C ATOM 0 H VAL A 32 7.211 -8.821 -2.262 1.00 0.00 H new ATOM 0 HA VAL A 32 5.595 -7.226 -0.909 1.00 0.00 H new ATOM 0 HB VAL A 32 5.416 -9.260 0.089 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.168 -11.006 -0.128 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.857 -10.183 -1.674 1.00 0.00 H new ATOM 0 HG13 VAL A 32 8.305 -9.774 -0.724 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.869 -9.838 1.987 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.004 -8.558 1.495 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.360 -8.133 2.026 1.00 0.00 H new ATOM 516 N THR A 33 8.617 -6.658 0.167 1.00 0.00 N ATOM 517 CA THR A 33 9.459 -5.793 0.999 1.00 0.00 C ATOM 518 C THR A 33 9.659 -4.400 0.401 1.00 0.00 C ATOM 519 O THR A 33 9.882 -3.426 1.129 1.00 0.00 O ATOM 520 CB THR A 33 10.824 -6.452 1.228 1.00 0.00 C ATOM 521 OG1 THR A 33 11.729 -6.109 0.194 1.00 0.00 O ATOM 522 CG2 THR A 33 10.763 -7.965 1.296 1.00 0.00 C ATOM 0 H THR A 33 9.141 -7.280 -0.449 1.00 0.00 H new ATOM 0 HA THR A 33 8.936 -5.665 1.947 1.00 0.00 H new ATOM 0 HB THR A 33 11.161 -6.075 2.193 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.594 -6.538 0.361 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.765 -8.363 1.460 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.114 -8.266 2.118 1.00 0.00 H new ATOM 0 HG23 THR A 33 10.366 -8.356 0.359 1.00 0.00 H new ATOM 530 N GLU A 34 9.549 -4.289 -0.913 1.00 0.00 N ATOM 531 CA GLU A 34 9.701 -3.001 -1.570 1.00 0.00 C ATOM 532 C GLU A 34 8.441 -2.172 -1.372 1.00 0.00 C ATOM 533 O GLU A 34 8.495 -0.950 -1.269 1.00 0.00 O ATOM 534 CB GLU A 34 9.988 -3.201 -3.063 1.00 0.00 C ATOM 535 CG GLU A 34 9.656 -1.994 -3.926 1.00 0.00 C ATOM 536 CD GLU A 34 10.720 -1.709 -4.967 1.00 0.00 C ATOM 537 OE1 GLU A 34 11.118 -2.653 -5.683 1.00 0.00 O ATOM 538 OE2 GLU A 34 11.157 -0.543 -5.066 1.00 0.00 O ATOM 0 H GLU A 34 9.356 -5.069 -1.542 1.00 0.00 H new ATOM 0 HA GLU A 34 10.543 -2.469 -1.128 1.00 0.00 H new ATOM 0 HB2 GLU A 34 11.043 -3.446 -3.190 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.417 -4.058 -3.420 1.00 0.00 H new ATOM 0 HG2 GLU A 34 8.701 -2.161 -4.425 1.00 0.00 H new ATOM 0 HG3 GLU A 34 9.534 -1.119 -3.288 1.00 0.00 H new ATOM 545 N ILE A 35 7.309 -2.857 -1.327 1.00 0.00 N ATOM 546 CA ILE A 35 6.032 -2.202 -1.148 1.00 0.00 C ATOM 547 C ILE A 35 5.985 -1.537 0.207 1.00 0.00 C ATOM 548 O ILE A 35 5.527 -0.403 0.354 1.00 0.00 O ATOM 549 CB ILE A 35 4.849 -3.192 -1.219 1.00 0.00 C ATOM 550 CG1 ILE A 35 5.066 -4.287 -2.263 1.00 0.00 C ATOM 551 CG2 ILE A 35 3.572 -2.442 -1.515 1.00 0.00 C ATOM 552 CD1 ILE A 35 4.322 -5.563 -1.933 1.00 0.00 C ATOM 0 H ILE A 35 7.254 -3.872 -1.413 1.00 0.00 H new ATOM 0 HA ILE A 35 5.937 -1.476 -1.956 1.00 0.00 H new ATOM 0 HB ILE A 35 4.776 -3.683 -0.248 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.741 -3.923 -3.238 1.00 0.00 H new ATOM 0 HG13 ILE A 35 6.132 -4.502 -2.342 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.740 -3.145 -1.564 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.386 -1.714 -0.725 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.667 -1.925 -2.470 1.00 0.00 H new ATOM 0 HD11 ILE A 35 4.512 -6.306 -2.708 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.665 -5.946 -0.972 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.253 -5.358 -1.882 1.00 0.00 H new ATOM 564 N ALA A 36 6.446 -2.276 1.200 1.00 0.00 N ATOM 565 CA ALA A 36 6.445 -1.799 2.559 1.00 0.00 C ATOM 566 C ALA A 36 7.482 -0.712 2.795 1.00 0.00 C ATOM 567 O ALA A 36 7.380 0.048 3.755 1.00 0.00 O ATOM 568 CB ALA A 36 6.678 -2.954 3.515 1.00 0.00 C ATOM 0 H ALA A 36 6.827 -3.215 1.083 1.00 0.00 H new ATOM 0 HA ALA A 36 5.466 -1.357 2.744 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.676 -2.584 4.540 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.885 -3.692 3.394 1.00 0.00 H new ATOM 0 HB3 ALA A 36 7.641 -3.417 3.299 1.00 0.00 H new ATOM 574 N LYS A 37 8.495 -0.649 1.941 1.00 0.00 N ATOM 575 CA LYS A 37 9.552 0.345 2.105 1.00 0.00 C ATOM 576 C LYS A 37 9.282 1.610 1.296 1.00 0.00 C ATOM 577 O LYS A 37 9.249 2.726 1.838 1.00 0.00 O ATOM 578 CB LYS A 37 10.901 -0.249 1.698 1.00 0.00 C ATOM 579 CG LYS A 37 12.076 0.681 1.949 1.00 0.00 C ATOM 580 CD LYS A 37 13.172 0.488 0.914 1.00 0.00 C ATOM 581 CE LYS A 37 13.857 1.801 0.575 1.00 0.00 C ATOM 582 NZ LYS A 37 14.215 1.886 -0.868 1.00 0.00 N ATOM 0 H LYS A 37 8.609 -1.265 1.136 1.00 0.00 H new ATOM 0 HA LYS A 37 9.574 0.623 3.159 1.00 0.00 H new ATOM 0 HB2 LYS A 37 11.060 -1.178 2.246 1.00 0.00 H new ATOM 0 HB3 LYS A 37 10.871 -0.505 0.639 1.00 0.00 H new ATOM 0 HG2 LYS A 37 11.733 1.715 1.928 1.00 0.00 H new ATOM 0 HG3 LYS A 37 12.479 0.499 2.945 1.00 0.00 H new ATOM 0 HD2 LYS A 37 13.909 -0.221 1.291 1.00 0.00 H new ATOM 0 HD3 LYS A 37 12.747 0.054 0.009 1.00 0.00 H new ATOM 0 HE2 LYS A 37 13.200 2.631 0.835 1.00 0.00 H new ATOM 0 HE3 LYS A 37 14.758 1.907 1.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 14.680 2.797 -1.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 14.863 1.109 -1.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 13.353 1.811 -1.445 1.00 0.00 H new ATOM 596 N LYS A 38 9.080 1.436 -0.003 1.00 0.00 N ATOM 597 CA LYS A 38 8.820 2.568 -0.875 1.00 0.00 C ATOM 598 C LYS A 38 7.400 3.087 -0.683 1.00 0.00 C ATOM 599 O LYS A 38 7.043 4.149 -1.193 1.00 0.00 O ATOM 600 CB LYS A 38 9.080 2.193 -2.336 1.00 0.00 C ATOM 601 CG LYS A 38 7.887 2.402 -3.247 1.00 0.00 C ATOM 602 CD LYS A 38 6.861 1.309 -3.052 1.00 0.00 C ATOM 603 CE LYS A 38 7.123 0.146 -3.993 1.00 0.00 C ATOM 604 NZ LYS A 38 6.711 0.460 -5.388 1.00 0.00 N ATOM 0 H LYS A 38 9.091 0.530 -0.471 1.00 0.00 H new ATOM 0 HA LYS A 38 9.505 3.372 -0.607 1.00 0.00 H new ATOM 0 HB2 LYS A 38 9.917 2.784 -2.709 1.00 0.00 H new ATOM 0 HB3 LYS A 38 9.382 1.147 -2.384 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.434 3.372 -3.043 1.00 0.00 H new ATOM 0 HG3 LYS A 38 8.216 2.416 -4.286 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.887 0.960 -2.020 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.862 1.707 -3.229 1.00 0.00 H new ATOM 0 HE2 LYS A 38 8.184 -0.104 -3.975 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.582 -0.733 -3.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.202 -0.352 -5.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.089 1.293 -5.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.555 0.659 -5.963 1.00 0.00 H new ATOM 618 N GLY A 39 6.607 2.364 0.086 1.00 0.00 N ATOM 619 CA GLY A 39 5.277 2.822 0.355 1.00 0.00 C ATOM 620 C GLY A 39 5.300 3.732 1.558 1.00 0.00 C ATOM 621 O GLY A 39 4.610 4.747 1.621 1.00 0.00 O ATOM 0 H GLY A 39 6.862 1.478 0.522 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.880 3.353 -0.510 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.617 1.974 0.538 1.00 0.00 H new ATOM 625 N GLY A 40 6.125 3.357 2.511 1.00 0.00 N ATOM 626 CA GLY A 40 6.274 4.132 3.723 1.00 0.00 C ATOM 627 C GLY A 40 6.705 5.546 3.428 1.00 0.00 C ATOM 628 O GLY A 40 6.219 6.494 4.042 1.00 0.00 O ATOM 0 H GLY A 40 6.704 2.518 2.470 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.329 4.145 4.266 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.008 3.655 4.372 1.00 0.00 H new ATOM 632 N GLU A 41 7.614 5.691 2.470 1.00 0.00 N ATOM 633 CA GLU A 41 8.094 7.015 2.087 1.00 0.00 C ATOM 634 C GLU A 41 6.929 7.900 1.653 1.00 0.00 C ATOM 635 O GLU A 41 6.842 9.068 2.033 1.00 0.00 O ATOM 636 CB GLU A 41 9.098 6.904 0.945 1.00 0.00 C ATOM 637 CG GLU A 41 8.553 6.133 -0.240 1.00 0.00 C ATOM 638 CD GLU A 41 9.566 5.979 -1.357 1.00 0.00 C ATOM 639 OE1 GLU A 41 10.604 5.322 -1.131 1.00 0.00 O ATOM 640 OE2 GLU A 41 9.322 6.516 -2.458 1.00 0.00 O ATOM 0 H GLU A 41 8.030 4.919 1.949 1.00 0.00 H new ATOM 0 HA GLU A 41 8.581 7.464 2.953 1.00 0.00 H new ATOM 0 HB2 GLU A 41 9.386 7.904 0.621 1.00 0.00 H new ATOM 0 HB3 GLU A 41 10.002 6.414 1.307 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.232 5.146 0.092 1.00 0.00 H new ATOM 0 HG3 GLU A 41 7.670 6.643 -0.624 1.00 0.00 H new ATOM 647 N MET A 42 6.032 7.328 0.854 1.00 0.00 N ATOM 648 CA MET A 42 4.865 8.048 0.363 1.00 0.00 C ATOM 649 C MET A 42 3.820 8.187 1.457 1.00 0.00 C ATOM 650 O MET A 42 3.101 9.183 1.533 1.00 0.00 O ATOM 651 CB MET A 42 4.254 7.308 -0.821 1.00 0.00 C ATOM 652 CG MET A 42 3.517 6.044 -0.422 1.00 0.00 C ATOM 653 SD MET A 42 2.400 5.470 -1.703 1.00 0.00 S ATOM 654 CE MET A 42 3.095 3.854 -1.966 1.00 0.00 C ATOM 0 H MET A 42 6.094 6.362 0.532 1.00 0.00 H new ATOM 0 HA MET A 42 5.186 9.041 0.050 1.00 0.00 H new ATOM 0 HB2 MET A 42 3.565 7.974 -1.340 1.00 0.00 H new ATOM 0 HB3 MET A 42 5.044 7.052 -1.528 1.00 0.00 H new ATOM 0 HG2 MET A 42 4.241 5.261 -0.197 1.00 0.00 H new ATOM 0 HG3 MET A 42 2.953 6.229 0.492 1.00 0.00 H new ATOM 0 HE1 MET A 42 2.609 3.384 -2.821 1.00 0.00 H new ATOM 0 HE2 MET A 42 4.164 3.945 -2.161 1.00 0.00 H new ATOM 0 HE3 MET A 42 2.939 3.242 -1.078 1.00 0.00 H new ATOM 664 N TRP A 43 3.739 7.158 2.286 1.00 0.00 N ATOM 665 CA TRP A 43 2.791 7.104 3.372 1.00 0.00 C ATOM 666 C TRP A 43 3.043 8.204 4.404 1.00 0.00 C ATOM 667 O TRP A 43 2.147 8.986 4.716 1.00 0.00 O ATOM 668 CB TRP A 43 2.891 5.704 3.967 1.00 0.00 C ATOM 669 CG TRP A 43 2.580 5.578 5.406 1.00 0.00 C ATOM 670 CD1 TRP A 43 3.470 5.401 6.405 1.00 0.00 C ATOM 671 CD2 TRP A 43 1.289 5.566 5.992 1.00 0.00 C ATOM 672 NE1 TRP A 43 2.808 5.278 7.606 1.00 0.00 N ATOM 673 CE2 TRP A 43 1.457 5.377 7.371 1.00 0.00 C ATOM 674 CE3 TRP A 43 0.008 5.702 5.475 1.00 0.00 C ATOM 675 CZ2 TRP A 43 0.374 5.313 8.244 1.00 0.00 C ATOM 676 CZ3 TRP A 43 -1.068 5.641 6.333 1.00 0.00 C ATOM 677 CH2 TRP A 43 -0.882 5.446 7.708 1.00 0.00 C ATOM 0 H TRP A 43 4.337 6.334 2.218 1.00 0.00 H new ATOM 0 HA TRP A 43 1.778 7.289 3.015 1.00 0.00 H new ATOM 0 HB2 TRP A 43 2.218 5.049 3.413 1.00 0.00 H new ATOM 0 HB3 TRP A 43 3.903 5.334 3.803 1.00 0.00 H new ATOM 0 HD1 TRP A 43 4.542 5.362 6.281 1.00 0.00 H new ATOM 0 HE1 TRP A 43 3.246 5.137 8.516 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -0.143 5.853 4.416 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 0.517 5.164 9.304 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.069 5.745 5.940 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -1.743 5.400 8.358 1.00 0.00 H new ATOM 688 N LYS A 44 4.257 8.254 4.939 1.00 0.00 N ATOM 689 CA LYS A 44 4.611 9.254 5.943 1.00 0.00 C ATOM 690 C LYS A 44 4.300 10.680 5.478 1.00 0.00 C ATOM 691 O LYS A 44 4.176 11.588 6.299 1.00 0.00 O ATOM 692 CB LYS A 44 6.095 9.140 6.295 1.00 0.00 C ATOM 693 CG LYS A 44 6.398 9.429 7.756 1.00 0.00 C ATOM 694 CD LYS A 44 7.809 8.998 8.129 1.00 0.00 C ATOM 695 CE LYS A 44 7.801 7.779 9.036 1.00 0.00 C ATOM 696 NZ LYS A 44 7.214 8.083 10.371 1.00 0.00 N ATOM 0 H LYS A 44 5.014 7.615 4.696 1.00 0.00 H new ATOM 0 HA LYS A 44 4.002 9.055 6.825 1.00 0.00 H new ATOM 0 HB2 LYS A 44 6.441 8.135 6.053 1.00 0.00 H new ATOM 0 HB3 LYS A 44 6.662 9.831 5.671 1.00 0.00 H new ATOM 0 HG2 LYS A 44 6.279 10.495 7.949 1.00 0.00 H new ATOM 0 HG3 LYS A 44 5.678 8.908 8.388 1.00 0.00 H new ATOM 0 HD2 LYS A 44 8.373 8.775 7.223 1.00 0.00 H new ATOM 0 HD3 LYS A 44 8.321 9.820 8.629 1.00 0.00 H new ATOM 0 HE2 LYS A 44 7.232 6.979 8.563 1.00 0.00 H new ATOM 0 HE3 LYS A 44 8.820 7.414 9.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 7.549 7.384 11.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.506 9.035 10.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 6.177 8.042 10.312 1.00 0.00 H new ATOM 710 N GLU A 45 4.191 10.881 4.166 1.00 0.00 N ATOM 711 CA GLU A 45 3.912 12.212 3.625 1.00 0.00 C ATOM 712 C GLU A 45 2.527 12.298 2.978 1.00 0.00 C ATOM 713 O GLU A 45 2.215 13.278 2.302 1.00 0.00 O ATOM 714 CB GLU A 45 4.982 12.595 2.600 1.00 0.00 C ATOM 715 CG GLU A 45 6.283 13.068 3.229 1.00 0.00 C ATOM 716 CD GLU A 45 6.237 14.527 3.638 1.00 0.00 C ATOM 717 OE1 GLU A 45 5.155 14.993 4.052 1.00 0.00 O ATOM 718 OE2 GLU A 45 7.283 15.204 3.544 1.00 0.00 O ATOM 0 H GLU A 45 4.290 10.148 3.463 1.00 0.00 H new ATOM 0 HA GLU A 45 3.929 12.910 4.462 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.187 11.735 1.963 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.591 13.383 1.956 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.503 12.456 4.104 1.00 0.00 H new ATOM 0 HG3 GLU A 45 7.099 12.918 2.522 1.00 0.00 H new ATOM 725 N LEU A 46 1.704 11.274 3.178 1.00 0.00 N ATOM 726 CA LEU A 46 0.362 11.259 2.599 1.00 0.00 C ATOM 727 C LEU A 46 -0.689 11.694 3.625 1.00 0.00 C ATOM 728 O LEU A 46 -0.553 11.434 4.820 1.00 0.00 O ATOM 729 CB LEU A 46 0.055 9.863 2.024 1.00 0.00 C ATOM 730 CG LEU A 46 -1.141 9.119 2.629 1.00 0.00 C ATOM 731 CD1 LEU A 46 -1.608 8.015 1.699 1.00 0.00 C ATOM 732 CD2 LEU A 46 -0.778 8.537 3.979 1.00 0.00 C ATOM 0 H LEU A 46 1.938 10.450 3.731 1.00 0.00 H new ATOM 0 HA LEU A 46 0.323 11.980 1.783 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.115 9.966 0.952 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.941 9.241 2.148 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.953 9.834 2.761 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.458 7.498 2.146 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.907 8.446 0.744 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.796 7.306 1.539 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.639 8.013 4.393 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.051 7.838 3.863 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.484 9.340 4.654 1.00 0.00 H new ATOM 744 N LYS A 47 -1.737 12.366 3.145 1.00 0.00 N ATOM 745 CA LYS A 47 -2.812 12.844 4.013 1.00 0.00 C ATOM 746 C LYS A 47 -3.507 11.684 4.701 1.00 0.00 C ATOM 747 O LYS A 47 -3.350 11.499 5.903 1.00 0.00 O ATOM 748 CB LYS A 47 -3.824 13.664 3.209 1.00 0.00 C ATOM 749 CG LYS A 47 -4.968 14.210 4.047 1.00 0.00 C ATOM 750 CD LYS A 47 -6.180 13.293 4.002 1.00 0.00 C ATOM 751 CE LYS A 47 -7.448 14.024 4.409 1.00 0.00 C ATOM 752 NZ LYS A 47 -7.585 14.118 5.889 1.00 0.00 N ATOM 0 H LYS A 47 -1.863 12.591 2.158 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.371 13.483 4.778 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.307 14.495 2.730 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.233 13.042 2.413 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.639 14.329 5.079 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.246 15.200 3.684 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.297 12.893 2.995 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.020 12.444 4.666 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -7.442 15.026 3.981 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -8.314 13.506 3.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.581 13.980 6.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.002 13.384 6.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.268 15.056 6.208 1.00 0.00 H new ATOM 766 N ASP A 48 -4.300 10.931 3.941 1.00 0.00 N ATOM 767 CA ASP A 48 -5.063 9.791 4.459 1.00 0.00 C ATOM 768 C ASP A 48 -4.428 9.101 5.671 1.00 0.00 C ATOM 769 O ASP A 48 -5.142 8.508 6.467 1.00 0.00 O ATOM 770 CB ASP A 48 -5.270 8.763 3.346 1.00 0.00 C ATOM 771 CG ASP A 48 -6.270 9.232 2.307 1.00 0.00 C ATOM 772 OD1 ASP A 48 -5.986 10.237 1.621 1.00 0.00 O ATOM 773 OD2 ASP A 48 -7.336 8.594 2.179 1.00 0.00 O ATOM 0 H ASP A 48 -4.434 11.093 2.943 1.00 0.00 H new ATOM 0 HA ASP A 48 -6.012 10.201 4.804 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.315 8.558 2.862 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -5.614 7.825 3.781 1.00 0.00 H new ATOM 778 N LYS A 49 -3.107 9.173 5.827 1.00 0.00 N ATOM 779 CA LYS A 49 -2.458 8.538 6.963 1.00 0.00 C ATOM 780 C LYS A 49 -2.948 9.161 8.247 1.00 0.00 C ATOM 781 O LYS A 49 -3.095 8.487 9.255 1.00 0.00 O ATOM 782 CB LYS A 49 -0.939 8.662 6.880 1.00 0.00 C ATOM 783 CG LYS A 49 -0.230 8.229 8.145 1.00 0.00 C ATOM 784 CD LYS A 49 0.486 9.390 8.809 1.00 0.00 C ATOM 785 CE LYS A 49 1.584 9.939 7.911 1.00 0.00 C ATOM 786 NZ LYS A 49 2.440 10.929 8.620 1.00 0.00 N ATOM 0 H LYS A 49 -2.476 9.658 5.189 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.713 7.478 6.945 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.578 8.060 6.046 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.678 9.698 6.662 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.953 7.801 8.840 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.489 7.444 7.910 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.229 10.180 9.039 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.915 9.063 9.756 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.203 9.117 7.550 1.00 0.00 H new ATOM 0 HE3 LYS A 49 1.136 10.408 7.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.165 11.291 7.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.852 11.718 8.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.902 10.471 9.431 1.00 0.00 H new ATOM 800 N SER A 50 -3.253 10.444 8.198 1.00 0.00 N ATOM 801 CA SER A 50 -3.774 11.109 9.365 1.00 0.00 C ATOM 802 C SER A 50 -5.200 10.632 9.589 1.00 0.00 C ATOM 803 O SER A 50 -5.692 10.567 10.716 1.00 0.00 O ATOM 804 CB SER A 50 -3.733 12.630 9.192 1.00 0.00 C ATOM 805 OG SER A 50 -2.407 13.087 8.995 1.00 0.00 O ATOM 0 H SER A 50 -3.149 11.035 7.373 1.00 0.00 H new ATOM 0 HA SER A 50 -3.160 10.865 10.232 1.00 0.00 H new ATOM 0 HB2 SER A 50 -4.350 12.919 8.341 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.159 13.111 10.073 1.00 0.00 H new ATOM 0 HG SER A 50 -2.409 14.061 8.886 1.00 0.00 H new ATOM 811 N LYS A 51 -5.850 10.314 8.477 1.00 0.00 N ATOM 812 CA LYS A 51 -7.238 9.848 8.494 1.00 0.00 C ATOM 813 C LYS A 51 -7.331 8.318 8.434 1.00 0.00 C ATOM 814 O LYS A 51 -8.426 7.757 8.481 1.00 0.00 O ATOM 815 CB LYS A 51 -8.028 10.487 7.341 1.00 0.00 C ATOM 816 CG LYS A 51 -8.148 9.615 6.098 1.00 0.00 C ATOM 817 CD LYS A 51 -8.489 10.443 4.870 1.00 0.00 C ATOM 818 CE LYS A 51 -9.985 10.453 4.602 1.00 0.00 C ATOM 819 NZ LYS A 51 -10.638 11.678 5.138 1.00 0.00 N ATOM 0 H LYS A 51 -5.439 10.369 7.545 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.679 10.159 9.441 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.029 10.732 7.695 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.548 11.426 7.066 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -7.210 9.085 5.932 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.918 8.860 6.255 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.137 11.465 5.010 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -7.966 10.041 4.002 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -10.162 10.388 3.528 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -10.440 9.572 5.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -11.657 11.645 4.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -10.492 11.728 6.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -10.222 12.518 4.688 1.00 0.00 H new ATOM 833 N TRP A 52 -6.186 7.651 8.319 1.00 0.00 N ATOM 834 CA TRP A 52 -6.153 6.194 8.238 1.00 0.00 C ATOM 835 C TRP A 52 -5.335 5.599 9.379 1.00 0.00 C ATOM 836 O TRP A 52 -5.701 4.569 9.954 1.00 0.00 O ATOM 837 CB TRP A 52 -5.560 5.753 6.900 1.00 0.00 C ATOM 838 CG TRP A 52 -6.573 5.651 5.800 1.00 0.00 C ATOM 839 CD1 TRP A 52 -7.727 6.367 5.677 1.00 0.00 C ATOM 840 CD2 TRP A 52 -6.519 4.777 4.669 1.00 0.00 C ATOM 841 NE1 TRP A 52 -8.395 5.992 4.536 1.00 0.00 N ATOM 842 CE2 TRP A 52 -7.672 5.018 3.899 1.00 0.00 C ATOM 843 CE3 TRP A 52 -5.605 3.818 4.231 1.00 0.00 C ATOM 844 CZ2 TRP A 52 -7.935 4.330 2.717 1.00 0.00 C ATOM 845 CZ3 TRP A 52 -5.865 3.135 3.058 1.00 0.00 C ATOM 846 CH2 TRP A 52 -7.023 3.394 2.313 1.00 0.00 C ATOM 0 H TRP A 52 -5.269 8.096 8.280 1.00 0.00 H new ATOM 0 HA TRP A 52 -7.178 5.831 8.319 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -4.785 6.460 6.605 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -5.076 4.785 7.028 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -8.066 7.119 6.374 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -9.284 6.376 4.216 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -4.710 3.613 4.799 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -8.826 4.528 2.140 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -5.165 2.390 2.710 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -7.199 2.843 1.401 1.00 0.00 H new ATOM 857 N GLU A 53 -4.231 6.259 9.714 1.00 0.00 N ATOM 858 CA GLU A 53 -3.369 5.799 10.794 1.00 0.00 C ATOM 859 C GLU A 53 -4.192 5.518 12.035 1.00 0.00 C ATOM 860 O GLU A 53 -3.909 4.593 12.800 1.00 0.00 O ATOM 861 CB GLU A 53 -2.298 6.847 11.108 1.00 0.00 C ATOM 862 CG GLU A 53 -2.815 8.044 11.896 1.00 0.00 C ATOM 863 CD GLU A 53 -1.804 9.171 11.973 1.00 0.00 C ATOM 864 OE1 GLU A 53 -0.600 8.902 11.785 1.00 0.00 O ATOM 865 OE2 GLU A 53 -2.218 10.323 12.223 1.00 0.00 O ATOM 0 H GLU A 53 -3.914 7.112 9.254 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.878 4.880 10.475 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.495 6.373 11.672 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.865 7.201 10.172 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.730 8.412 11.432 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.076 7.725 12.905 1.00 0.00 H new ATOM 872 N ASP A 54 -5.217 6.331 12.226 1.00 0.00 N ATOM 873 CA ASP A 54 -6.083 6.175 13.369 1.00 0.00 C ATOM 874 C ASP A 54 -6.892 4.911 13.244 1.00 0.00 C ATOM 875 O ASP A 54 -7.225 4.290 14.245 1.00 0.00 O ATOM 876 CB ASP A 54 -6.992 7.391 13.547 1.00 0.00 C ATOM 877 CG ASP A 54 -7.333 7.650 15.002 1.00 0.00 C ATOM 878 OD1 ASP A 54 -7.901 6.745 15.648 1.00 0.00 O ATOM 879 OD2 ASP A 54 -7.032 8.758 15.494 1.00 0.00 O ATOM 0 H ASP A 54 -5.464 7.101 11.604 1.00 0.00 H new ATOM 0 HA ASP A 54 -5.459 6.100 14.260 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -6.503 8.271 13.129 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -7.912 7.239 12.982 1.00 0.00 H new ATOM 884 N ALA A 55 -7.172 4.498 12.016 1.00 0.00 N ATOM 885 CA ALA A 55 -7.897 3.264 11.808 1.00 0.00 C ATOM 886 C ALA A 55 -7.137 2.149 12.504 1.00 0.00 C ATOM 887 O ALA A 55 -7.713 1.333 13.221 1.00 0.00 O ATOM 888 CB ALA A 55 -8.053 2.972 10.322 1.00 0.00 C ATOM 0 H ALA A 55 -6.911 4.994 11.164 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.901 3.345 12.225 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.601 2.039 10.190 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.601 3.786 9.847 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.068 2.882 9.864 1.00 0.00 H new ATOM 894 N ALA A 56 -5.824 2.129 12.275 1.00 0.00 N ATOM 895 CA ALA A 56 -4.942 1.122 12.864 1.00 0.00 C ATOM 896 C ALA A 56 -5.080 1.081 14.378 1.00 0.00 C ATOM 897 O ALA A 56 -5.287 0.020 14.965 1.00 0.00 O ATOM 898 CB ALA A 56 -3.505 1.420 12.491 1.00 0.00 C ATOM 0 H ALA A 56 -5.345 2.805 11.680 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.232 0.148 12.471 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.851 0.667 12.932 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.399 1.402 11.406 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.229 2.405 12.866 1.00 0.00 H new ATOM 904 N ALA A 57 -4.976 2.249 15.007 1.00 0.00 N ATOM 905 CA ALA A 57 -5.104 2.341 16.456 1.00 0.00 C ATOM 906 C ALA A 57 -6.538 2.048 16.884 1.00 0.00 C ATOM 907 O ALA A 57 -6.799 1.709 18.036 1.00 0.00 O ATOM 908 CB ALA A 57 -4.674 3.718 16.939 1.00 0.00 C ATOM 0 H ALA A 57 -4.805 3.139 14.538 1.00 0.00 H new ATOM 0 HA ALA A 57 -4.451 1.596 16.910 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -4.775 3.771 18.023 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.634 3.892 16.663 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.304 4.478 16.478 1.00 0.00 H new ATOM 914 N LYS A 58 -7.458 2.188 15.936 1.00 0.00 N ATOM 915 CA LYS A 58 -8.868 1.944 16.190 1.00 0.00 C ATOM 916 C LYS A 58 -9.168 0.458 16.065 1.00 0.00 C ATOM 917 O LYS A 58 -9.955 -0.091 16.837 1.00 0.00 O ATOM 918 CB LYS A 58 -9.743 2.775 15.230 1.00 0.00 C ATOM 919 CG LYS A 58 -10.654 1.959 14.319 1.00 0.00 C ATOM 920 CD LYS A 58 -11.755 2.819 13.716 1.00 0.00 C ATOM 921 CE LYS A 58 -11.185 3.967 12.899 1.00 0.00 C ATOM 922 NZ LYS A 58 -12.199 5.030 12.651 1.00 0.00 N ATOM 0 H LYS A 58 -7.248 2.471 14.979 1.00 0.00 H new ATOM 0 HA LYS A 58 -9.106 2.256 17.207 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -10.358 3.455 15.820 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -9.092 3.391 14.610 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -10.064 1.509 13.521 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -11.099 1.141 14.886 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -12.393 2.203 13.083 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -12.385 3.216 14.512 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -10.330 4.396 13.422 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -10.817 3.587 11.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -11.771 5.794 12.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -13.004 4.627 12.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -12.532 5.411 13.560 1.00 0.00 H new ATOM 936 N ASP A 59 -8.539 -0.193 15.091 1.00 0.00 N ATOM 937 CA ASP A 59 -8.753 -1.612 14.886 1.00 0.00 C ATOM 938 C ASP A 59 -7.975 -2.417 15.913 1.00 0.00 C ATOM 939 O ASP A 59 -8.433 -3.459 16.366 1.00 0.00 O ATOM 940 CB ASP A 59 -8.342 -2.009 13.469 1.00 0.00 C ATOM 941 CG ASP A 59 -9.460 -1.813 12.465 1.00 0.00 C ATOM 942 OD1 ASP A 59 -10.004 -0.690 12.394 1.00 0.00 O ATOM 943 OD2 ASP A 59 -9.793 -2.780 11.750 1.00 0.00 O ATOM 0 H ASP A 59 -7.884 0.239 14.439 1.00 0.00 H new ATOM 0 HA ASP A 59 -9.814 -1.828 15.012 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -7.478 -1.418 13.166 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.032 -3.054 13.463 1.00 0.00 H new ATOM 948 N LYS A 60 -6.795 -1.932 16.281 1.00 0.00 N ATOM 949 CA LYS A 60 -5.971 -2.623 17.268 1.00 0.00 C ATOM 950 C LYS A 60 -6.682 -2.600 18.609 1.00 0.00 C ATOM 951 O LYS A 60 -6.692 -3.578 19.355 1.00 0.00 O ATOM 952 CB LYS A 60 -4.589 -1.961 17.372 1.00 0.00 C ATOM 953 CG LYS A 60 -3.955 -2.045 18.756 1.00 0.00 C ATOM 954 CD LYS A 60 -4.242 -0.797 19.576 1.00 0.00 C ATOM 955 CE LYS A 60 -3.146 0.243 19.407 1.00 0.00 C ATOM 956 NZ LYS A 60 -3.268 1.344 20.402 1.00 0.00 N ATOM 0 H LYS A 60 -6.389 -1.071 15.915 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.821 -3.657 16.959 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -3.920 -2.429 16.650 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -4.679 -0.912 17.090 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -4.336 -2.922 19.280 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -2.878 -2.177 18.657 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -5.199 -0.372 19.272 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -4.332 -1.065 20.629 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -2.172 -0.235 19.512 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -3.191 0.657 18.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -2.503 2.032 20.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -4.187 1.817 20.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -3.200 0.952 21.363 1.00 0.00 H new ATOM 970 N GLN A 61 -7.282 -1.459 18.884 1.00 0.00 N ATOM 971 CA GLN A 61 -8.017 -1.238 20.098 1.00 0.00 C ATOM 972 C GLN A 61 -9.320 -2.022 20.059 1.00 0.00 C ATOM 973 O GLN A 61 -9.740 -2.601 21.055 1.00 0.00 O ATOM 974 CB GLN A 61 -8.290 0.260 20.280 1.00 0.00 C ATOM 975 CG GLN A 61 -9.701 0.588 20.741 1.00 0.00 C ATOM 976 CD GLN A 61 -9.742 1.122 22.158 1.00 0.00 C ATOM 977 OE1 GLN A 61 -9.647 2.328 22.385 1.00 0.00 O ATOM 978 NE2 GLN A 61 -9.884 0.219 23.122 1.00 0.00 N ATOM 0 H GLN A 61 -7.268 -0.654 18.258 1.00 0.00 H new ATOM 0 HA GLN A 61 -7.427 -1.585 20.946 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -7.581 0.661 21.005 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -8.102 0.769 19.335 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -10.138 1.325 20.066 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -10.318 -0.308 20.677 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -9.959 -0.771 22.887 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -9.918 0.515 24.097 1.00 0.00 H new ATOM 987 N ARG A 62 -9.967 -2.013 18.902 1.00 0.00 N ATOM 988 CA ARG A 62 -11.234 -2.703 18.743 1.00 0.00 C ATOM 989 C ARG A 62 -11.052 -4.210 18.585 1.00 0.00 C ATOM 990 O ARG A 62 -12.020 -4.968 18.666 1.00 0.00 O ATOM 991 CB ARG A 62 -11.995 -2.151 17.538 1.00 0.00 C ATOM 992 CG ARG A 62 -12.996 -3.138 16.964 1.00 0.00 C ATOM 993 CD ARG A 62 -13.682 -2.588 15.727 1.00 0.00 C ATOM 994 NE ARG A 62 -12.873 -2.778 14.523 1.00 0.00 N ATOM 995 CZ ARG A 62 -13.363 -2.739 13.287 1.00 0.00 C ATOM 996 NH1 ARG A 62 -14.655 -2.509 13.085 1.00 0.00 N ATOM 997 NH2 ARG A 62 -12.560 -2.928 12.249 1.00 0.00 N ATOM 0 H ARG A 62 -9.635 -1.536 18.064 1.00 0.00 H new ATOM 0 HA ARG A 62 -11.809 -2.528 19.653 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -12.518 -1.241 17.832 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -11.282 -1.872 16.762 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -12.487 -4.069 16.714 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -13.745 -3.377 17.719 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -14.646 -3.080 15.598 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -13.882 -1.526 15.865 1.00 0.00 H new ATOM 0 HE ARG A 62 -11.874 -2.951 14.638 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -15.277 -2.361 13.880 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -15.025 -2.480 12.135 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -11.566 -3.103 12.398 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -12.936 -2.898 11.301 1.00 0.00 H new ATOM 1011 N TYR A 63 -9.829 -4.643 18.351 1.00 0.00 N ATOM 1012 CA TYR A 63 -9.564 -6.063 18.174 1.00 0.00 C ATOM 1013 C TYR A 63 -9.241 -6.675 19.513 1.00 0.00 C ATOM 1014 O TYR A 63 -9.794 -7.696 19.901 1.00 0.00 O ATOM 1015 CB TYR A 63 -8.414 -6.281 17.191 1.00 0.00 C ATOM 1016 CG TYR A 63 -8.845 -6.260 15.741 1.00 0.00 C ATOM 1017 CD1 TYR A 63 -9.905 -5.466 15.317 1.00 0.00 C ATOM 1018 CD2 TYR A 63 -8.189 -7.032 14.794 1.00 0.00 C ATOM 1019 CE1 TYR A 63 -10.295 -5.443 13.991 1.00 0.00 C ATOM 1020 CE2 TYR A 63 -8.572 -7.016 13.467 1.00 0.00 C ATOM 1021 CZ TYR A 63 -9.626 -6.220 13.071 1.00 0.00 C ATOM 1022 OH TYR A 63 -10.011 -6.201 11.750 1.00 0.00 O ATOM 0 H TYR A 63 -9.008 -4.042 18.279 1.00 0.00 H new ATOM 0 HA TYR A 63 -10.450 -6.545 17.760 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -7.661 -5.509 17.349 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -7.939 -7.238 17.407 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -10.433 -4.857 16.036 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -7.363 -7.657 15.100 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -11.119 -4.819 13.678 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -8.049 -7.624 12.744 1.00 0.00 H new ATOM 0 HH TYR A 63 -10.387 -5.323 11.531 1.00 0.00 H new ATOM 1032 N HIS A 64 -8.372 -5.996 20.227 1.00 0.00 N ATOM 1033 CA HIS A 64 -7.975 -6.387 21.545 1.00 0.00 C ATOM 1034 C HIS A 64 -9.133 -6.104 22.502 1.00 0.00 C ATOM 1035 O HIS A 64 -9.128 -6.514 23.661 1.00 0.00 O ATOM 1036 CB HIS A 64 -6.722 -5.618 21.923 1.00 0.00 C ATOM 1037 CG HIS A 64 -7.011 -4.367 22.650 1.00 0.00 C ATOM 1038 ND1 HIS A 64 -7.634 -3.329 22.046 1.00 0.00 N ATOM 1039 CD2 HIS A 64 -6.783 -3.995 23.921 1.00 0.00 C ATOM 1040 CE1 HIS A 64 -7.785 -2.345 22.901 1.00 0.00 C ATOM 1041 NE2 HIS A 64 -7.276 -2.721 24.060 1.00 0.00 N ATOM 0 H HIS A 64 -7.919 -5.144 19.896 1.00 0.00 H new ATOM 0 HA HIS A 64 -7.744 -7.451 21.596 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -6.086 -6.252 22.540 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -6.159 -5.385 21.019 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -6.303 -4.586 24.687 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -8.246 -1.391 22.692 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -7.253 -2.161 24.912 1.00 0.00 H new ATOM 1050 N ASP A 65 -10.094 -5.344 21.991 1.00 0.00 N ATOM 1051 CA ASP A 65 -11.256 -4.953 22.753 1.00 0.00 C ATOM 1052 C ASP A 65 -12.245 -6.096 22.836 1.00 0.00 C ATOM 1053 O ASP A 65 -13.215 -6.015 23.590 1.00 0.00 O ATOM 1054 CB ASP A 65 -11.938 -3.740 22.122 1.00 0.00 C ATOM 1055 CG ASP A 65 -11.699 -2.466 22.905 1.00 0.00 C ATOM 1056 OD1 ASP A 65 -10.682 -2.394 23.627 1.00 0.00 O ATOM 1057 OD2 ASP A 65 -12.529 -1.538 22.800 1.00 0.00 O ATOM 0 H ASP A 65 -10.082 -4.985 21.036 1.00 0.00 H new ATOM 0 HA ASP A 65 -10.922 -4.690 23.757 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -11.572 -3.611 21.104 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -13.010 -3.925 22.054 1.00 0.00 H new ATOM 1062 N GLU A 66 -12.040 -7.162 22.049 1.00 0.00 N ATOM 1063 CA GLU A 66 -12.981 -8.241 22.085 1.00 0.00 C ATOM 1064 C GLU A 66 -12.453 -9.447 21.362 1.00 0.00 C ATOM 1065 O GLU A 66 -12.755 -10.580 21.736 1.00 0.00 O ATOM 1066 CB GLU A 66 -14.305 -7.797 21.468 1.00 0.00 C ATOM 1067 CG GLU A 66 -14.208 -7.459 19.991 1.00 0.00 C ATOM 1068 CD GLU A 66 -15.290 -6.498 19.539 1.00 0.00 C ATOM 1069 OE1 GLU A 66 -15.257 -5.324 19.965 1.00 0.00 O ATOM 1070 OE2 GLU A 66 -16.172 -6.920 18.761 1.00 0.00 O ATOM 0 H GLU A 66 -11.255 -7.281 21.409 1.00 0.00 H new ATOM 0 HA GLU A 66 -13.143 -8.517 23.127 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -15.042 -8.589 21.603 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -14.673 -6.924 22.008 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -13.231 -7.022 19.786 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -14.276 -8.377 19.407 1.00 0.00 H new ATOM 1077 N MET A 67 -11.671 -9.227 20.317 1.00 0.00 N ATOM 1078 CA MET A 67 -11.115 -10.303 19.546 1.00 0.00 C ATOM 1079 C MET A 67 -9.635 -10.424 19.849 1.00 0.00 C ATOM 1080 O MET A 67 -8.891 -11.085 19.125 1.00 0.00 O ATOM 1081 CB MET A 67 -11.307 -9.971 18.070 1.00 0.00 C ATOM 1082 CG MET A 67 -12.582 -9.187 17.788 1.00 0.00 C ATOM 1083 SD MET A 67 -12.769 -8.733 16.052 1.00 0.00 S ATOM 1084 CE MET A 67 -12.862 -10.346 15.279 1.00 0.00 C ATOM 0 H MET A 67 -11.411 -8.297 19.988 1.00 0.00 H new ATOM 0 HA MET A 67 -11.607 -11.244 19.791 1.00 0.00 H new ATOM 0 HB2 MET A 67 -10.450 -9.395 17.720 1.00 0.00 H new ATOM 0 HB3 MET A 67 -11.324 -10.897 17.496 1.00 0.00 H new ATOM 0 HG2 MET A 67 -13.442 -9.782 18.096 1.00 0.00 H new ATOM 0 HG3 MET A 67 -12.586 -8.282 18.396 1.00 0.00 H new ATOM 0 HE1 MET A 67 -12.161 -10.391 14.445 1.00 0.00 H new ATOM 0 HE2 MET A 67 -12.607 -11.114 16.009 1.00 0.00 H new ATOM 0 HE3 MET A 67 -13.874 -10.516 14.912 1.00 0.00 H new ATOM 1094 N ARG A 68 -9.218 -9.770 20.937 1.00 0.00 N ATOM 1095 CA ARG A 68 -7.831 -9.787 21.366 1.00 0.00 C ATOM 1096 C ARG A 68 -7.282 -11.169 21.169 1.00 0.00 C ATOM 1097 O ARG A 68 -6.284 -11.375 20.477 1.00 0.00 O ATOM 1098 CB ARG A 68 -7.693 -9.385 22.848 1.00 0.00 C ATOM 1099 CG ARG A 68 -8.896 -9.731 23.719 1.00 0.00 C ATOM 1100 CD ARG A 68 -10.080 -8.822 23.456 1.00 0.00 C ATOM 1101 NE ARG A 68 -10.598 -8.222 24.684 1.00 0.00 N ATOM 1102 CZ ARG A 68 -11.280 -8.895 25.609 1.00 0.00 C ATOM 1103 NH1 ARG A 68 -11.528 -10.189 25.448 1.00 0.00 N ATOM 1104 NH2 ARG A 68 -11.715 -8.273 26.696 1.00 0.00 N ATOM 0 H ARG A 68 -9.833 -9.220 21.536 1.00 0.00 H new ATOM 0 HA ARG A 68 -7.274 -9.064 20.770 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.810 -9.873 23.262 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.519 -8.310 22.904 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -9.188 -10.765 23.537 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -8.613 -9.660 24.769 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -9.784 -8.033 22.765 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -10.872 -9.391 22.969 1.00 0.00 H new ATOM 0 HE ARG A 68 -10.427 -7.229 24.842 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -11.196 -10.672 24.613 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -12.051 -10.700 26.159 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -11.527 -7.279 26.824 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -12.237 -8.789 27.404 1.00 0.00 H new ATOM 1118 N ASN A 69 -7.935 -12.113 21.807 1.00 0.00 N ATOM 1119 CA ASN A 69 -7.514 -13.509 21.738 1.00 0.00 C ATOM 1120 C ASN A 69 -8.156 -14.230 20.560 1.00 0.00 C ATOM 1121 O ASN A 69 -7.491 -14.983 19.849 1.00 0.00 O ATOM 1122 CB ASN A 69 -7.870 -14.231 23.041 1.00 0.00 C ATOM 1123 CG ASN A 69 -7.558 -13.400 24.271 1.00 0.00 C ATOM 1124 OD1 ASN A 69 -6.455 -13.459 24.812 1.00 0.00 O ATOM 1125 ND2 ASN A 69 -8.536 -12.620 24.719 1.00 0.00 N ATOM 0 H ASN A 69 -8.761 -11.948 22.382 1.00 0.00 H new ATOM 0 HA ASN A 69 -6.433 -13.522 21.595 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -8.931 -14.481 23.035 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -7.321 -15.171 23.093 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -8.387 -12.038 25.544 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -9.435 -12.603 24.238 1.00 0.00 H new ATOM 1132 N TYR A 70 -9.454 -14.006 20.370 1.00 0.00 N ATOM 1133 CA TYR A 70 -10.200 -14.638 19.283 1.00 0.00 C ATOM 1134 C TYR A 70 -9.986 -16.153 19.267 1.00 0.00 C ATOM 1135 O TYR A 70 -9.225 -16.690 20.071 1.00 0.00 O ATOM 1136 CB TYR A 70 -9.809 -14.021 17.933 1.00 0.00 C ATOM 1137 CG TYR A 70 -8.452 -14.454 17.416 1.00 0.00 C ATOM 1138 CD1 TYR A 70 -8.287 -15.679 16.785 1.00 0.00 C ATOM 1139 CD2 TYR A 70 -7.340 -13.632 17.554 1.00 0.00 C ATOM 1140 CE1 TYR A 70 -7.053 -16.076 16.308 1.00 0.00 C ATOM 1141 CE2 TYR A 70 -6.102 -14.021 17.079 1.00 0.00 C ATOM 1142 CZ TYR A 70 -5.963 -15.244 16.458 1.00 0.00 C ATOM 1143 OH TYR A 70 -4.732 -15.635 15.984 1.00 0.00 O ATOM 0 H TYR A 70 -10.014 -13.388 20.958 1.00 0.00 H new ATOM 0 HA TYR A 70 -11.261 -14.455 19.455 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -10.566 -14.284 17.194 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -9.819 -12.935 18.027 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -9.138 -16.333 16.665 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -7.445 -12.673 18.040 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -6.942 -17.033 15.820 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -5.248 -13.370 17.194 1.00 0.00 H new ATOM 0 HH TYR A 70 -4.073 -14.934 16.169 1.00 0.00 H new ATOM 1153 N LYS A 71 -10.671 -16.834 18.354 1.00 0.00 N ATOM 1154 CA LYS A 71 -10.562 -18.286 18.241 1.00 0.00 C ATOM 1155 C LYS A 71 -9.423 -18.680 17.300 1.00 0.00 C ATOM 1156 O LYS A 71 -9.502 -18.451 16.093 1.00 0.00 O ATOM 1157 CB LYS A 71 -11.880 -18.877 17.737 1.00 0.00 C ATOM 1158 CG LYS A 71 -12.425 -18.181 16.500 1.00 0.00 C ATOM 1159 CD LYS A 71 -13.477 -17.146 16.862 1.00 0.00 C ATOM 1160 CE LYS A 71 -14.865 -17.763 16.932 1.00 0.00 C ATOM 1161 NZ LYS A 71 -15.681 -17.171 18.028 1.00 0.00 N ATOM 0 H LYS A 71 -11.307 -16.405 17.682 1.00 0.00 H new ATOM 0 HA LYS A 71 -10.344 -18.686 19.231 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -11.733 -19.934 17.514 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -12.622 -18.819 18.533 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -11.608 -17.699 15.963 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -12.857 -18.920 15.826 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -13.229 -16.695 17.823 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -13.471 -16.345 16.123 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -15.375 -17.617 15.980 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -14.777 -18.839 17.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -16.620 -17.618 18.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -15.207 -17.332 18.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -15.787 -16.149 17.869 1.00 0.00 H new ATOM 1175 N PRO A 72 -8.345 -19.282 17.837 1.00 0.00 N ATOM 1176 CA PRO A 72 -7.195 -19.703 17.029 1.00 0.00 C ATOM 1177 C PRO A 72 -7.608 -20.557 15.835 1.00 0.00 C ATOM 1178 O PRO A 72 -7.708 -21.779 15.939 1.00 0.00 O ATOM 1179 CB PRO A 72 -6.353 -20.525 18.007 1.00 0.00 C ATOM 1180 CG PRO A 72 -6.713 -19.995 19.351 1.00 0.00 C ATOM 1181 CD PRO A 72 -8.161 -19.598 19.266 1.00 0.00 C ATOM 0 HA PRO A 72 -6.665 -18.852 16.602 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -6.578 -21.588 17.927 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -5.288 -20.409 17.808 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -6.560 -20.750 20.122 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -6.089 -19.141 19.613 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -8.819 -20.406 19.587 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -8.380 -18.738 19.899 1.00 0.00 H new ATOM 1189 N GLU A 73 -7.846 -19.903 14.701 1.00 0.00 N ATOM 1190 CA GLU A 73 -8.249 -20.599 13.483 1.00 0.00 C ATOM 1191 C GLU A 73 -9.602 -21.282 13.665 1.00 0.00 C ATOM 1192 O GLU A 73 -10.630 -20.770 13.223 1.00 0.00 O ATOM 1193 CB GLU A 73 -7.190 -21.629 13.082 1.00 0.00 C ATOM 1194 CG GLU A 73 -6.166 -21.097 12.094 1.00 0.00 C ATOM 1195 CD GLU A 73 -6.705 -21.027 10.677 1.00 0.00 C ATOM 1196 OE1 GLU A 73 -7.798 -20.452 10.486 1.00 0.00 O ATOM 1197 OE2 GLU A 73 -6.035 -21.547 9.762 1.00 0.00 O ATOM 0 H GLU A 73 -7.767 -18.891 14.601 1.00 0.00 H new ATOM 0 HA GLU A 73 -8.343 -19.859 12.688 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -6.673 -21.974 13.978 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -7.686 -22.497 12.647 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -5.847 -20.103 12.407 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -5.283 -21.736 12.112 1.00 0.00 H new ATOM 1204 N ALA A 74 -9.595 -22.440 14.319 1.00 0.00 N ATOM 1205 CA ALA A 74 -10.822 -23.190 14.558 1.00 0.00 C ATOM 1206 C ALA A 74 -10.686 -24.087 15.783 1.00 0.00 C ATOM 1207 O ALA A 74 -9.611 -24.700 15.951 1.00 0.00 O ATOM 1208 CB ALA A 74 -11.182 -24.016 13.332 1.00 0.00 C ATOM 1209 OXT ALA A 74 -11.657 -24.168 16.566 1.00 0.00 O ATOM 0 H ALA A 74 -8.753 -22.878 14.692 1.00 0.00 H new ATOM 0 HA ALA A 74 -11.624 -22.477 14.750 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -12.100 -24.571 13.524 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -11.330 -23.355 12.478 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -10.374 -24.715 13.114 1.00 0.00 H new TER 1215 ALA A 74