USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 397 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 16 CYS SG : rot 34:sc= 0.153 USER MOD Set 1.2: A 34 CYS SG : rot -91:sc= 2.36 USER MOD Set 1.3: A 38 TYR OH : rot -115:sc= 0.531 USER MOD Set 1.4: A 43 CYS SG : rot -90:sc= 0.229 USER MOD Set 2.1: A 8 CYS SG : rot 140:sc= 0.752 USER MOD Set 2.2: A 15 TYR OH : rot 175:sc= -1.97! USER MOD Single : A 1 ARG N :NH3+ 154:sc= 0.00254 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 HIS : no HD1:sc= -0.309 X(o=-0.31,f=-0.16) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -148:sc= 0.329 (180deg=0.0466) USER MOD Single : A 14 HIS : no HD1:sc= -0.0558 X(o=-0.056,f=-0.0027) USER MOD Single : A 18 LYS NZ :NH3+ -162:sc= -0.613 (180deg=-1.05) USER MOD Single : A 21 CYS SG : rot 23:sc= 0.848 USER MOD Single : A 28 GLN : amide:sc= -0.0724 X(o=-0.072,f=0) USER MOD Single : A 29 THR OG1 : rot 84:sc= 0.686 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 CYS SG : rot 30:sc= 1.05 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -8.362 16.370 -9.404 1.00 0.00 N ATOM 2 CA ARG A 1 -7.433 17.204 -10.219 1.00 0.00 C ATOM 3 C ARG A 1 -6.012 16.638 -10.145 1.00 0.00 C ATOM 4 O ARG A 1 -5.556 16.225 -9.098 1.00 0.00 O ATOM 5 CB ARG A 1 -7.491 18.595 -9.585 1.00 0.00 C ATOM 6 CG ARG A 1 -8.345 19.519 -10.457 1.00 0.00 C ATOM 7 CD ARG A 1 -9.639 19.867 -9.719 1.00 0.00 C ATOM 8 NE ARG A 1 -9.936 21.274 -10.104 1.00 0.00 N ATOM 9 CZ ARG A 1 -10.943 21.537 -10.893 1.00 0.00 C ATOM 10 NH1 ARG A 1 -11.257 20.705 -11.848 1.00 0.00 N ATOM 11 NH2 ARG A 1 -11.635 22.630 -10.727 1.00 0.00 N ATOM 0 H1 ARG A 1 -9.167 16.950 -9.094 1.00 0.00 H new ATOM 0 H2 ARG A 1 -8.709 15.575 -9.978 1.00 0.00 H new ATOM 0 H3 ARG A 1 -7.859 16.003 -8.571 1.00 0.00 H new ATOM 0 HA ARG A 1 -7.712 17.225 -11.273 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -7.913 18.532 -8.582 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -6.485 19.002 -9.482 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -7.792 20.429 -10.691 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -8.574 19.032 -11.405 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -10.450 19.199 -10.008 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -9.516 19.771 -8.640 1.00 0.00 H new ATOM 0 HE ARG A 1 -9.353 22.033 -9.751 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -10.716 19.850 -11.978 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -12.043 20.910 -12.465 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -11.390 23.280 -9.980 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -12.421 22.834 -11.344 1.00 0.00 H new ATOM 27 N LYS A 2 -5.315 16.618 -11.251 1.00 0.00 N ATOM 28 CA LYS A 2 -3.922 16.078 -11.260 1.00 0.00 C ATOM 29 C LYS A 2 -3.816 14.852 -10.349 1.00 0.00 C ATOM 30 O LYS A 2 -4.783 14.149 -10.125 1.00 0.00 O ATOM 31 CB LYS A 2 -3.045 17.220 -10.739 1.00 0.00 C ATOM 32 CG LYS A 2 -3.291 17.422 -9.242 1.00 0.00 C ATOM 33 CD LYS A 2 -2.173 18.286 -8.652 1.00 0.00 C ATOM 34 CE LYS A 2 -2.038 19.574 -9.468 1.00 0.00 C ATOM 35 NZ LYS A 2 -0.702 20.122 -9.102 1.00 0.00 N ATOM 0 H LYS A 2 -5.652 16.954 -12.153 1.00 0.00 H new ATOM 0 HA LYS A 2 -3.615 15.754 -12.255 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -1.994 16.993 -10.917 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -3.269 18.139 -11.281 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -4.257 17.901 -9.083 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -3.326 16.458 -8.735 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -2.393 18.524 -7.611 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -1.231 17.737 -8.661 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -2.103 19.373 -10.537 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -2.834 20.279 -9.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -0.536 21.007 -9.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -0.672 20.310 -8.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 0.036 19.432 -9.349 1.00 0.00 H new ATOM 49 N GLY A 3 -2.652 14.589 -9.822 1.00 0.00 N ATOM 50 CA GLY A 3 -2.490 13.408 -8.927 1.00 0.00 C ATOM 51 C GLY A 3 -1.681 13.811 -7.693 1.00 0.00 C ATOM 52 O GLY A 3 -2.105 14.627 -6.899 1.00 0.00 O ATOM 0 H GLY A 3 -1.807 15.140 -9.972 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -3.467 13.029 -8.627 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -1.985 12.602 -9.459 1.00 0.00 H new ATOM 56 N HIS A 4 -0.516 13.246 -7.524 1.00 0.00 N ATOM 57 CA HIS A 4 0.321 13.598 -6.342 1.00 0.00 C ATOM 58 C HIS A 4 -0.444 13.312 -5.046 1.00 0.00 C ATOM 59 O HIS A 4 -0.922 14.213 -4.386 1.00 0.00 O ATOM 60 CB HIS A 4 0.596 15.095 -6.482 1.00 0.00 C ATOM 61 CG HIS A 4 1.947 15.301 -7.109 1.00 0.00 C ATOM 62 ND1 HIS A 4 2.240 16.411 -7.886 1.00 0.00 N ATOM 63 CD2 HIS A 4 3.094 14.548 -7.083 1.00 0.00 C ATOM 64 CE1 HIS A 4 3.517 16.295 -8.292 1.00 0.00 C ATOM 65 NE2 HIS A 4 4.086 15.178 -7.830 1.00 0.00 N ATOM 0 H HIS A 4 -0.108 12.555 -8.154 1.00 0.00 H new ATOM 0 HA HIS A 4 1.242 13.016 -6.302 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -0.176 15.561 -7.094 1.00 0.00 H new ATOM 0 HB3 HIS A 4 0.560 15.575 -5.504 1.00 0.00 H new ATOM 0 HD2 HIS A 4 3.210 13.609 -6.562 1.00 0.00 H new ATOM 0 HE1 HIS A 4 4.022 17.018 -8.916 1.00 0.00 H new ATOM 0 HE2 HIS A 4 5.041 14.856 -7.990 1.00 0.00 H new ATOM 73 N PHE A 5 -0.561 12.067 -4.678 1.00 0.00 N ATOM 74 CA PHE A 5 -1.294 11.727 -3.424 1.00 0.00 C ATOM 75 C PHE A 5 -0.304 11.511 -2.276 1.00 0.00 C ATOM 76 O PHE A 5 0.694 12.195 -2.168 1.00 0.00 O ATOM 77 CB PHE A 5 -2.039 10.430 -3.739 1.00 0.00 C ATOM 78 CG PHE A 5 -2.802 10.588 -5.033 1.00 0.00 C ATOM 79 CD1 PHE A 5 -3.978 11.346 -5.063 1.00 0.00 C ATOM 80 CD2 PHE A 5 -2.332 9.976 -6.202 1.00 0.00 C ATOM 81 CE1 PHE A 5 -4.686 11.492 -6.262 1.00 0.00 C ATOM 82 CE2 PHE A 5 -3.040 10.123 -7.400 1.00 0.00 C ATOM 83 CZ PHE A 5 -4.217 10.881 -7.431 1.00 0.00 C ATOM 0 H PHE A 5 -0.182 11.270 -5.190 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.973 12.522 -3.114 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -1.333 9.603 -3.819 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -2.725 10.186 -2.928 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -4.339 11.818 -4.161 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -1.424 9.391 -6.179 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -5.594 12.076 -6.285 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -2.678 9.651 -8.302 1.00 0.00 H new ATOM 0 HZ PHE A 5 -4.763 10.994 -8.356 1.00 0.00 H new ATOM 93 N SER A 6 -0.573 10.565 -1.418 1.00 0.00 N ATOM 94 CA SER A 6 0.353 10.307 -0.278 1.00 0.00 C ATOM 95 C SER A 6 0.389 8.812 0.047 1.00 0.00 C ATOM 96 O SER A 6 -0.565 8.094 -0.177 1.00 0.00 O ATOM 97 CB SER A 6 -0.231 11.096 0.892 1.00 0.00 C ATOM 98 OG SER A 6 0.732 12.036 1.353 1.00 0.00 O ATOM 0 H SER A 6 -1.393 9.960 -1.457 1.00 0.00 H new ATOM 0 HA SER A 6 1.377 10.607 -0.502 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.139 11.612 0.580 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.510 10.419 1.699 1.00 0.00 H new ATOM 0 HG SER A 6 0.359 12.545 2.103 1.00 0.00 H new ATOM 104 N ARG A 7 1.485 8.337 0.573 1.00 0.00 N ATOM 105 CA ARG A 7 1.583 6.888 0.911 1.00 0.00 C ATOM 106 C ARG A 7 1.540 6.692 2.429 1.00 0.00 C ATOM 107 O ARG A 7 2.218 7.374 3.172 1.00 0.00 O ATOM 108 CB ARG A 7 2.935 6.442 0.351 1.00 0.00 C ATOM 109 CG ARG A 7 2.744 5.195 -0.514 1.00 0.00 C ATOM 110 CD ARG A 7 3.241 5.477 -1.934 1.00 0.00 C ATOM 111 NE ARG A 7 2.485 6.682 -2.373 1.00 0.00 N ATOM 112 CZ ARG A 7 2.739 7.225 -3.532 1.00 0.00 C ATOM 113 NH1 ARG A 7 3.096 6.476 -4.539 1.00 0.00 N ATOM 114 NH2 ARG A 7 2.636 8.517 -3.684 1.00 0.00 N ATOM 0 H ARG A 7 2.316 8.889 0.783 1.00 0.00 H new ATOM 0 HA ARG A 7 0.757 6.311 0.494 1.00 0.00 H new ATOM 0 HB2 ARG A 7 3.378 7.243 -0.241 1.00 0.00 H new ATOM 0 HB3 ARG A 7 3.626 6.229 1.167 1.00 0.00 H new ATOM 0 HG2 ARG A 7 3.291 4.355 -0.086 1.00 0.00 H new ATOM 0 HG3 ARG A 7 1.692 4.912 -0.535 1.00 0.00 H new ATOM 0 HD2 ARG A 7 4.316 5.658 -1.948 1.00 0.00 H new ATOM 0 HD3 ARG A 7 3.052 4.630 -2.594 1.00 0.00 H new ATOM 0 HE ARG A 7 1.769 7.083 -1.768 1.00 0.00 H new ATOM 0 HH11 ARG A 7 3.176 5.466 -4.420 1.00 0.00 H new ATOM 0 HH12 ARG A 7 3.295 6.900 -5.445 1.00 0.00 H new ATOM 0 HH21 ARG A 7 2.357 9.102 -2.897 1.00 0.00 H new ATOM 0 HH22 ARG A 7 2.835 8.941 -4.590 1.00 0.00 H new ATOM 128 N CYS A 8 0.748 5.765 2.895 1.00 0.00 N ATOM 129 CA CYS A 8 0.661 5.526 4.364 1.00 0.00 C ATOM 130 C CYS A 8 1.999 4.999 4.893 1.00 0.00 C ATOM 131 O CYS A 8 2.669 4.231 4.233 1.00 0.00 O ATOM 132 CB CYS A 8 -0.433 4.473 4.530 1.00 0.00 C ATOM 133 SG CYS A 8 -1.786 5.158 5.519 1.00 0.00 S ATOM 0 H CYS A 8 0.157 5.163 2.322 1.00 0.00 H new ATOM 0 HA CYS A 8 0.436 6.437 4.919 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -0.804 4.162 3.553 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -0.027 3.585 5.015 1.00 0.00 H new ATOM 0 HG CYS A 8 -2.924 4.771 5.025 1.00 0.00 H new ATOM 138 N PRO A 9 2.339 5.435 6.076 1.00 0.00 N ATOM 139 CA PRO A 9 3.610 5.005 6.710 1.00 0.00 C ATOM 140 C PRO A 9 3.504 3.556 7.193 1.00 0.00 C ATOM 141 O PRO A 9 2.431 2.987 7.251 1.00 0.00 O ATOM 142 CB PRO A 9 3.761 5.960 7.889 1.00 0.00 C ATOM 143 CG PRO A 9 2.369 6.406 8.209 1.00 0.00 C ATOM 144 CD PRO A 9 1.582 6.360 6.925 1.00 0.00 C ATOM 0 HA PRO A 9 4.461 5.036 6.029 1.00 0.00 H new ATOM 0 HB2 PRO A 9 4.222 5.463 8.743 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.397 6.807 7.632 1.00 0.00 H new ATOM 0 HG2 PRO A 9 1.919 5.756 8.960 1.00 0.00 H new ATOM 0 HG3 PRO A 9 2.373 7.415 8.622 1.00 0.00 H new ATOM 0 HD2 PRO A 9 0.565 6.006 7.093 1.00 0.00 H new ATOM 0 HD3 PRO A 9 1.504 7.347 6.469 1.00 0.00 H new ATOM 152 N LYS A 10 4.608 2.955 7.540 1.00 0.00 N ATOM 153 CA LYS A 10 4.571 1.543 8.018 1.00 0.00 C ATOM 154 C LYS A 10 3.778 1.444 9.326 1.00 0.00 C ATOM 155 O LYS A 10 3.141 0.448 9.601 1.00 0.00 O ATOM 156 CB LYS A 10 6.035 1.166 8.249 1.00 0.00 C ATOM 157 CG LYS A 10 6.150 -0.350 8.423 1.00 0.00 C ATOM 158 CD LYS A 10 7.386 -0.857 7.678 1.00 0.00 C ATOM 159 CE LYS A 10 7.305 -0.438 6.209 1.00 0.00 C ATOM 160 NZ LYS A 10 7.578 -1.683 5.438 1.00 0.00 N ATOM 0 H LYS A 10 5.535 3.380 7.514 1.00 0.00 H new ATOM 0 HA LYS A 10 4.085 0.879 7.303 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.643 1.493 7.406 1.00 0.00 H new ATOM 0 HB3 LYS A 10 6.417 1.674 9.134 1.00 0.00 H new ATOM 0 HG2 LYS A 10 6.222 -0.601 9.481 1.00 0.00 H new ATOM 0 HG3 LYS A 10 5.255 -0.840 8.040 1.00 0.00 H new ATOM 0 HD2 LYS A 10 8.290 -0.452 8.133 1.00 0.00 H new ATOM 0 HD3 LYS A 10 7.450 -1.942 7.754 1.00 0.00 H new ATOM 0 HE2 LYS A 10 6.323 -0.032 5.968 1.00 0.00 H new ATOM 0 HE3 LYS A 10 8.036 0.337 5.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 7.540 -1.476 4.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 8.522 -2.043 5.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 6.863 -2.400 5.672 1.00 0.00 H new ATOM 174 N GLN A 11 3.816 2.469 10.133 1.00 0.00 N ATOM 175 CA GLN A 11 3.065 2.429 11.422 1.00 0.00 C ATOM 176 C GLN A 11 1.556 2.406 11.158 1.00 0.00 C ATOM 177 O GLN A 11 0.778 1.986 11.991 1.00 0.00 O ATOM 178 CB GLN A 11 3.463 3.712 12.153 1.00 0.00 C ATOM 179 CG GLN A 11 3.832 3.383 13.601 1.00 0.00 C ATOM 180 CD GLN A 11 4.450 4.615 14.263 1.00 0.00 C ATOM 181 OE1 GLN A 11 3.841 5.666 14.305 1.00 0.00 O ATOM 182 NE2 GLN A 11 5.642 4.531 14.788 1.00 0.00 N ATOM 0 H GLN A 11 4.333 3.331 9.957 1.00 0.00 H new ATOM 0 HA GLN A 11 3.297 1.538 12.006 1.00 0.00 H new ATOM 0 HB2 GLN A 11 4.308 4.183 11.650 1.00 0.00 H new ATOM 0 HB3 GLN A 11 2.640 4.426 12.130 1.00 0.00 H new ATOM 0 HG2 GLN A 11 2.945 3.068 14.151 1.00 0.00 H new ATOM 0 HG3 GLN A 11 4.536 2.551 13.628 1.00 0.00 H new ATOM 0 HE21 GLN A 11 6.154 3.649 14.753 1.00 0.00 H new ATOM 0 HE22 GLN A 11 6.062 5.347 15.233 1.00 0.00 H new ATOM 191 N TYR A 12 1.137 2.854 10.006 1.00 0.00 N ATOM 192 CA TYR A 12 -0.322 2.856 9.693 1.00 0.00 C ATOM 193 C TYR A 12 -0.655 1.719 8.724 1.00 0.00 C ATOM 194 O TYR A 12 -1.764 1.607 8.240 1.00 0.00 O ATOM 195 CB TYR A 12 -0.583 4.212 9.038 1.00 0.00 C ATOM 196 CG TYR A 12 -1.507 5.027 9.912 1.00 0.00 C ATOM 197 CD1 TYR A 12 -2.812 4.584 10.154 1.00 0.00 C ATOM 198 CD2 TYR A 12 -1.056 6.223 10.481 1.00 0.00 C ATOM 199 CE1 TYR A 12 -3.668 5.340 10.966 1.00 0.00 C ATOM 200 CE2 TYR A 12 -1.912 6.979 11.292 1.00 0.00 C ATOM 201 CZ TYR A 12 -3.218 6.537 11.533 1.00 0.00 C ATOM 202 OH TYR A 12 -4.062 7.281 12.333 1.00 0.00 O ATOM 0 H TYR A 12 1.740 3.218 9.269 1.00 0.00 H new ATOM 0 HA TYR A 12 -0.936 2.707 10.581 1.00 0.00 H new ATOM 0 HB2 TYR A 12 0.357 4.743 8.891 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -1.028 4.072 8.053 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -3.159 3.660 9.715 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -0.048 6.563 10.295 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -4.675 4.999 11.154 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -1.564 7.902 11.731 1.00 0.00 H new ATOM 0 HH TYR A 12 -3.593 8.082 12.647 1.00 0.00 H new ATOM 212 N LYS A 13 0.297 0.876 8.437 1.00 0.00 N ATOM 213 CA LYS A 13 0.037 -0.252 7.497 1.00 0.00 C ATOM 214 C LYS A 13 -0.451 -1.485 8.263 1.00 0.00 C ATOM 215 O LYS A 13 0.077 -2.569 8.115 1.00 0.00 O ATOM 216 CB LYS A 13 1.386 -0.532 6.833 1.00 0.00 C ATOM 217 CG LYS A 13 1.217 -0.541 5.313 1.00 0.00 C ATOM 218 CD LYS A 13 1.915 0.683 4.713 1.00 0.00 C ATOM 219 CE LYS A 13 3.270 0.267 4.136 1.00 0.00 C ATOM 220 NZ LYS A 13 4.129 1.476 4.262 1.00 0.00 N ATOM 0 H LYS A 13 1.244 0.919 8.812 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.736 -0.009 6.768 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.111 0.228 7.124 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.777 -1.491 7.171 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.639 -1.455 4.895 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.158 -0.532 5.054 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.295 1.122 3.932 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.053 1.447 5.478 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.691 -0.575 4.685 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.177 -0.045 3.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.811 1.501 3.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.535 2.329 4.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.643 1.444 5.166 1.00 0.00 H new ATOM 234 N HIS A 14 -1.468 -1.337 9.068 1.00 0.00 N ATOM 235 CA HIS A 14 -1.981 -2.510 9.830 1.00 0.00 C ATOM 236 C HIS A 14 -2.984 -3.268 8.967 1.00 0.00 C ATOM 237 O HIS A 14 -3.320 -4.406 9.233 1.00 0.00 O ATOM 238 CB HIS A 14 -2.667 -1.920 11.064 1.00 0.00 C ATOM 239 CG HIS A 14 -1.636 -1.612 12.115 1.00 0.00 C ATOM 240 ND1 HIS A 14 -1.563 -0.376 12.737 1.00 0.00 N ATOM 241 CD2 HIS A 14 -0.631 -2.369 12.663 1.00 0.00 C ATOM 242 CE1 HIS A 14 -0.546 -0.424 13.616 1.00 0.00 C ATOM 243 NE2 HIS A 14 0.057 -1.616 13.611 1.00 0.00 N ATOM 0 H HIS A 14 -1.963 -0.460 9.230 1.00 0.00 H new ATOM 0 HA HIS A 14 -1.193 -3.209 10.110 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -3.207 -1.013 10.793 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -3.401 -2.624 11.456 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -0.408 -3.392 12.399 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -0.253 0.401 14.249 1.00 0.00 H new ATOM 0 HE2 HIS A 14 0.851 -1.911 14.179 1.00 0.00 H new ATOM 251 N TYR A 15 -3.440 -2.652 7.913 1.00 0.00 N ATOM 252 CA TYR A 15 -4.395 -3.346 7.005 1.00 0.00 C ATOM 253 C TYR A 15 -3.612 -4.083 5.915 1.00 0.00 C ATOM 254 O TYR A 15 -4.179 -4.762 5.083 1.00 0.00 O ATOM 255 CB TYR A 15 -5.277 -2.247 6.395 1.00 0.00 C ATOM 256 CG TYR A 15 -4.430 -1.073 5.966 1.00 0.00 C ATOM 257 CD1 TYR A 15 -3.540 -1.202 4.894 1.00 0.00 C ATOM 258 CD2 TYR A 15 -4.536 0.148 6.644 1.00 0.00 C ATOM 259 CE1 TYR A 15 -2.754 -0.111 4.500 1.00 0.00 C ATOM 260 CE2 TYR A 15 -3.750 1.238 6.251 1.00 0.00 C ATOM 261 CZ TYR A 15 -2.859 1.109 5.180 1.00 0.00 C ATOM 262 OH TYR A 15 -2.084 2.183 4.795 1.00 0.00 O ATOM 0 H TYR A 15 -3.194 -1.700 7.641 1.00 0.00 H new ATOM 0 HA TYR A 15 -5.003 -4.083 7.530 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -5.823 -2.643 5.538 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -6.020 -1.921 7.123 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -3.459 -2.143 4.370 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -5.224 0.249 7.470 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -2.067 -0.211 3.672 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -3.832 2.179 6.775 1.00 0.00 H new ATOM 0 HH TYR A 15 -2.342 2.974 5.312 1.00 0.00 H new ATOM 272 N CYS A 16 -2.306 -3.959 5.919 1.00 0.00 N ATOM 273 CA CYS A 16 -1.486 -4.658 4.886 1.00 0.00 C ATOM 274 C CYS A 16 -0.036 -4.779 5.360 1.00 0.00 C ATOM 275 O CYS A 16 0.717 -3.825 5.326 1.00 0.00 O ATOM 276 CB CYS A 16 -1.565 -3.773 3.641 1.00 0.00 C ATOM 277 SG CYS A 16 -3.026 -4.216 2.668 1.00 0.00 S ATOM 0 H CYS A 16 -1.776 -3.405 6.592 1.00 0.00 H new ATOM 0 HA CYS A 16 -1.847 -5.667 4.690 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -1.614 -2.724 3.932 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -0.665 -3.895 3.039 1.00 0.00 H new ATOM 0 HG CYS A 16 -3.987 -4.575 3.467 1.00 0.00 H new ATOM 282 N ILE A 17 0.366 -5.941 5.795 1.00 0.00 N ATOM 283 CA ILE A 17 1.771 -6.111 6.265 1.00 0.00 C ATOM 284 C ILE A 17 2.745 -5.680 5.164 1.00 0.00 C ATOM 285 O ILE A 17 3.296 -4.597 5.199 1.00 0.00 O ATOM 286 CB ILE A 17 1.915 -7.603 6.561 1.00 0.00 C ATOM 287 CG1 ILE A 17 1.138 -7.948 7.833 1.00 0.00 C ATOM 288 CG2 ILE A 17 3.393 -7.944 6.760 1.00 0.00 C ATOM 289 CD1 ILE A 17 0.939 -9.462 7.916 1.00 0.00 C ATOM 0 H ILE A 17 -0.215 -6.778 5.846 1.00 0.00 H new ATOM 0 HA ILE A 17 1.993 -5.504 7.143 1.00 0.00 H new ATOM 0 HB ILE A 17 1.518 -8.178 5.725 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.680 -7.593 8.710 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.172 -7.443 7.830 1.00 0.00 H new ATOM 0 HG21 ILE A 17 3.496 -9.008 6.971 1.00 0.00 H new ATOM 0 HG22 ILE A 17 3.948 -7.699 5.855 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.790 -7.368 7.596 1.00 0.00 H new ATOM 0 HD11 ILE A 17 0.385 -9.707 8.822 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.379 -9.804 7.045 1.00 0.00 H new ATOM 0 HD13 ILE A 17 1.910 -9.956 7.939 1.00 0.00 H new ATOM 301 N LYS A 18 2.954 -6.513 4.180 1.00 0.00 N ATOM 302 CA LYS A 18 3.885 -6.142 3.076 1.00 0.00 C ATOM 303 C LYS A 18 3.101 -5.507 1.924 1.00 0.00 C ATOM 304 O LYS A 18 3.000 -6.061 0.847 1.00 0.00 O ATOM 305 CB LYS A 18 4.530 -7.457 2.633 1.00 0.00 C ATOM 306 CG LYS A 18 3.473 -8.363 1.999 1.00 0.00 C ATOM 307 CD LYS A 18 3.905 -9.825 2.137 1.00 0.00 C ATOM 308 CE LYS A 18 5.262 -10.023 1.457 1.00 0.00 C ATOM 309 NZ LYS A 18 6.160 -10.528 2.532 1.00 0.00 N ATOM 0 H LYS A 18 2.521 -7.433 4.093 1.00 0.00 H new ATOM 0 HA LYS A 18 4.634 -5.416 3.392 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.329 -7.259 1.918 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.985 -7.956 3.489 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.509 -8.210 2.484 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.344 -8.108 0.947 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.971 -10.098 3.190 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.160 -10.480 1.684 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.191 -10.735 0.635 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.634 -9.088 1.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.151 -10.401 2.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 5.984 -9.998 3.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.973 -11.538 2.695 1.00 0.00 H new ATOM 323 N GLY A 19 2.539 -4.350 2.144 1.00 0.00 N ATOM 324 CA GLY A 19 1.759 -3.687 1.062 1.00 0.00 C ATOM 325 C GLY A 19 1.715 -2.178 1.303 1.00 0.00 C ATOM 326 O GLY A 19 1.703 -1.717 2.427 1.00 0.00 O ATOM 0 H GLY A 19 2.586 -3.837 3.024 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.213 -3.896 0.094 1.00 0.00 H new ATOM 0 HA3 GLY A 19 0.746 -4.089 1.033 1.00 0.00 H new ATOM 330 N ARG A 20 1.686 -1.405 0.252 1.00 0.00 N ATOM 331 CA ARG A 20 1.636 0.077 0.413 1.00 0.00 C ATOM 332 C ARG A 20 0.232 0.591 0.088 1.00 0.00 C ATOM 333 O ARG A 20 -0.381 0.182 -0.878 1.00 0.00 O ATOM 334 CB ARG A 20 2.653 0.619 -0.591 1.00 0.00 C ATOM 335 CG ARG A 20 4.046 0.607 0.040 1.00 0.00 C ATOM 336 CD ARG A 20 5.096 0.906 -1.032 1.00 0.00 C ATOM 337 NE ARG A 20 6.397 0.878 -0.311 1.00 0.00 N ATOM 338 CZ ARG A 20 7.190 -0.152 -0.435 1.00 0.00 C ATOM 339 NH1 ARG A 20 6.813 -1.321 0.007 1.00 0.00 N ATOM 340 NH2 ARG A 20 8.358 -0.013 -0.999 1.00 0.00 N ATOM 0 H ARG A 20 1.695 -1.736 -0.713 1.00 0.00 H new ATOM 0 HA ARG A 20 1.864 0.393 1.431 1.00 0.00 H new ATOM 0 HB2 ARG A 20 2.646 0.011 -1.496 1.00 0.00 H new ATOM 0 HB3 ARG A 20 2.384 1.633 -0.886 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.102 1.349 0.836 1.00 0.00 H new ATOM 0 HG3 ARG A 20 4.242 -0.364 0.495 1.00 0.00 H new ATOM 0 HD2 ARG A 20 5.070 0.163 -1.829 1.00 0.00 H new ATOM 0 HD3 ARG A 20 4.922 1.877 -1.496 1.00 0.00 H new ATOM 0 HE ARG A 20 6.670 1.663 0.280 1.00 0.00 H new ATOM 0 HH11 ARG A 20 5.900 -1.429 0.449 1.00 0.00 H new ATOM 0 HH12 ARG A 20 7.431 -2.126 -0.089 1.00 0.00 H new ATOM 0 HH21 ARG A 20 8.652 0.901 -1.344 1.00 0.00 H new ATOM 0 HH22 ARG A 20 8.977 -0.818 -1.095 1.00 0.00 H new ATOM 354 N CYS A 21 -0.285 1.480 0.891 1.00 0.00 N ATOM 355 CA CYS A 21 -1.652 2.015 0.630 1.00 0.00 C ATOM 356 C CYS A 21 -1.577 3.465 0.145 1.00 0.00 C ATOM 357 O CYS A 21 -0.891 4.286 0.718 1.00 0.00 O ATOM 358 CB CYS A 21 -2.365 1.938 1.979 1.00 0.00 C ATOM 359 SG CYS A 21 -3.912 2.875 1.902 1.00 0.00 S ATOM 0 H CYS A 21 0.179 1.859 1.716 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.174 1.453 -0.145 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -2.570 0.898 2.235 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -1.724 2.339 2.764 1.00 0.00 H new ATOM 0 HG CYS A 21 -4.299 2.974 0.665 1.00 0.00 H new ATOM 364 N ARG A 22 -2.286 3.786 -0.903 1.00 0.00 N ATOM 365 CA ARG A 22 -2.263 5.184 -1.419 1.00 0.00 C ATOM 366 C ARG A 22 -3.481 5.950 -0.895 1.00 0.00 C ATOM 367 O ARG A 22 -4.593 5.746 -1.338 1.00 0.00 O ATOM 368 CB ARG A 22 -2.325 5.047 -2.940 1.00 0.00 C ATOM 369 CG ARG A 22 -0.995 4.493 -3.456 1.00 0.00 C ATOM 370 CD ARG A 22 -1.188 3.931 -4.866 1.00 0.00 C ATOM 371 NE ARG A 22 -1.918 4.995 -5.608 1.00 0.00 N ATOM 372 CZ ARG A 22 -2.391 4.753 -6.798 1.00 0.00 C ATOM 373 NH1 ARG A 22 -3.471 4.033 -6.937 1.00 0.00 N ATOM 374 NH2 ARG A 22 -1.784 5.229 -7.851 1.00 0.00 N ATOM 0 H ARG A 22 -2.880 3.141 -1.424 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.377 5.733 -1.100 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -3.142 4.384 -3.223 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -2.529 6.016 -3.395 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -0.241 5.280 -3.467 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.631 3.712 -2.789 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.230 3.708 -5.336 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -1.758 3.002 -4.846 1.00 0.00 H new ATOM 0 HE ARG A 22 -2.048 5.914 -5.185 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -3.945 3.660 -6.114 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -3.841 3.844 -7.868 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -0.939 5.790 -7.743 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -2.154 5.039 -8.782 1.00 0.00 H new ATOM 388 N PHE A 23 -3.279 6.825 0.052 1.00 0.00 N ATOM 389 CA PHE A 23 -4.426 7.598 0.610 1.00 0.00 C ATOM 390 C PHE A 23 -4.519 8.972 -0.059 1.00 0.00 C ATOM 391 O PHE A 23 -3.669 9.821 0.123 1.00 0.00 O ATOM 392 CB PHE A 23 -4.112 7.747 2.098 1.00 0.00 C ATOM 393 CG PHE A 23 -5.399 7.891 2.874 1.00 0.00 C ATOM 394 CD1 PHE A 23 -6.277 8.942 2.583 1.00 0.00 C ATOM 395 CD2 PHE A 23 -5.715 6.973 3.884 1.00 0.00 C ATOM 396 CE1 PHE A 23 -7.470 9.076 3.303 1.00 0.00 C ATOM 397 CE2 PHE A 23 -6.909 7.107 4.604 1.00 0.00 C ATOM 398 CZ PHE A 23 -7.786 8.160 4.313 1.00 0.00 C ATOM 0 H PHE A 23 -2.370 7.038 0.463 1.00 0.00 H new ATOM 0 HA PHE A 23 -5.381 7.100 0.440 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -3.557 6.878 2.452 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -3.478 8.618 2.261 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -6.034 9.649 1.804 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -5.038 6.162 4.108 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -8.147 9.887 3.079 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -7.153 6.399 5.383 1.00 0.00 H new ATOM 0 HZ PHE A 23 -8.706 8.265 4.868 1.00 0.00 H new ATOM 408 N VAL A 24 -5.548 9.198 -0.830 1.00 0.00 N ATOM 409 CA VAL A 24 -5.695 10.518 -1.506 1.00 0.00 C ATOM 410 C VAL A 24 -6.386 11.515 -0.573 1.00 0.00 C ATOM 411 O VAL A 24 -7.523 11.326 -0.180 1.00 0.00 O ATOM 412 CB VAL A 24 -6.564 10.242 -2.732 1.00 0.00 C ATOM 413 CG1 VAL A 24 -6.636 11.498 -3.601 1.00 0.00 C ATOM 414 CG2 VAL A 24 -5.954 9.096 -3.543 1.00 0.00 C ATOM 0 H VAL A 24 -6.292 8.527 -1.021 1.00 0.00 H new ATOM 0 HA VAL A 24 -4.733 10.951 -1.778 1.00 0.00 H new ATOM 0 HB VAL A 24 -7.568 9.966 -2.409 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -7.256 11.300 -4.475 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -7.071 12.315 -3.025 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -5.632 11.776 -3.923 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -6.574 8.899 -4.418 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.950 9.372 -3.865 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -5.903 8.200 -2.925 1.00 0.00 H new ATOM 424 N VAL A 25 -5.706 12.574 -0.217 1.00 0.00 N ATOM 425 CA VAL A 25 -6.315 13.589 0.691 1.00 0.00 C ATOM 426 C VAL A 25 -7.284 14.480 -0.089 1.00 0.00 C ATOM 427 O VAL A 25 -8.472 14.489 0.169 1.00 0.00 O ATOM 428 CB VAL A 25 -5.137 14.410 1.217 1.00 0.00 C ATOM 429 CG1 VAL A 25 -5.599 15.264 2.399 1.00 0.00 C ATOM 430 CG2 VAL A 25 -4.023 13.466 1.677 1.00 0.00 C ATOM 0 H VAL A 25 -4.753 12.779 -0.517 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.884 13.131 1.500 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.762 15.057 0.424 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.760 15.850 2.775 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.394 15.936 2.074 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.973 14.616 3.192 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.183 14.050 2.052 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.398 12.820 2.470 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.694 12.855 0.837 1.00 0.00 H new ATOM 440 N ALA A 26 -6.790 15.227 -1.044 1.00 0.00 N ATOM 441 CA ALA A 26 -7.691 16.111 -1.841 1.00 0.00 C ATOM 442 C ALA A 26 -8.980 15.359 -2.171 1.00 0.00 C ATOM 443 O ALA A 26 -10.068 15.793 -1.848 1.00 0.00 O ATOM 444 CB ALA A 26 -6.910 16.429 -3.115 1.00 0.00 C ATOM 0 H ALA A 26 -5.805 15.262 -1.305 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.972 17.018 -1.307 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -7.508 17.077 -3.756 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.980 16.934 -2.855 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.685 15.503 -3.644 1.00 0.00 H new ATOM 450 N GLU A 27 -8.862 14.221 -2.796 1.00 0.00 N ATOM 451 CA GLU A 27 -10.072 13.422 -3.129 1.00 0.00 C ATOM 452 C GLU A 27 -10.176 12.247 -2.157 1.00 0.00 C ATOM 453 O GLU A 27 -9.619 11.193 -2.388 1.00 0.00 O ATOM 454 CB GLU A 27 -9.844 12.925 -4.558 1.00 0.00 C ATOM 455 CG GLU A 27 -11.141 13.062 -5.358 1.00 0.00 C ATOM 456 CD GLU A 27 -11.468 14.543 -5.552 1.00 0.00 C ATOM 457 OE1 GLU A 27 -10.550 15.305 -5.809 1.00 0.00 O ATOM 458 OE2 GLU A 27 -12.632 14.893 -5.439 1.00 0.00 O ATOM 0 H GLU A 27 -7.977 13.809 -3.091 1.00 0.00 H new ATOM 0 HA GLU A 27 -10.995 13.996 -3.052 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -9.049 13.501 -5.032 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -9.520 11.884 -4.545 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -11.037 12.572 -6.326 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.957 12.564 -4.835 1.00 0.00 H new ATOM 465 N GLN A 28 -10.872 12.434 -1.063 1.00 0.00 N ATOM 466 CA GLN A 28 -11.012 11.344 -0.049 1.00 0.00 C ATOM 467 C GLN A 28 -11.077 9.971 -0.720 1.00 0.00 C ATOM 468 O GLN A 28 -12.135 9.494 -1.081 1.00 0.00 O ATOM 469 CB GLN A 28 -12.325 11.647 0.674 1.00 0.00 C ATOM 470 CG GLN A 28 -12.326 10.962 2.042 1.00 0.00 C ATOM 471 CD GLN A 28 -11.746 11.914 3.090 1.00 0.00 C ATOM 472 OE1 GLN A 28 -10.727 11.631 3.686 1.00 0.00 O ATOM 473 NE2 GLN A 28 -12.358 13.040 3.341 1.00 0.00 N ATOM 0 H GLN A 28 -11.353 13.302 -0.827 1.00 0.00 H new ATOM 0 HA GLN A 28 -10.160 11.313 0.630 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -12.446 12.724 0.795 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -13.169 11.296 0.080 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -13.341 10.677 2.317 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -11.737 10.046 2.002 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -13.214 13.278 2.840 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -11.980 13.682 4.038 1.00 0.00 H new ATOM 482 N THR A 29 -9.951 9.330 -0.890 1.00 0.00 N ATOM 483 CA THR A 29 -9.953 7.986 -1.539 1.00 0.00 C ATOM 484 C THR A 29 -8.824 7.121 -0.972 1.00 0.00 C ATOM 485 O THR A 29 -7.762 7.021 -1.555 1.00 0.00 O ATOM 486 CB THR A 29 -9.726 8.261 -3.026 1.00 0.00 C ATOM 487 OG1 THR A 29 -10.823 9.003 -3.540 1.00 0.00 O ATOM 488 CG2 THR A 29 -9.607 6.934 -3.779 1.00 0.00 C ATOM 0 H THR A 29 -9.034 9.677 -0.609 1.00 0.00 H new ATOM 0 HA THR A 29 -10.883 7.446 -1.364 1.00 0.00 H new ATOM 0 HB THR A 29 -8.807 8.833 -3.155 1.00 0.00 H new ATOM 0 HG1 THR A 29 -10.684 9.957 -3.363 1.00 0.00 H new ATOM 0 HG21 THR A 29 -9.445 7.130 -4.839 1.00 0.00 H new ATOM 0 HG22 THR A 29 -8.766 6.365 -3.383 1.00 0.00 H new ATOM 0 HG23 THR A 29 -10.525 6.360 -3.652 1.00 0.00 H new ATOM 496 N PRO A 30 -9.099 6.519 0.154 1.00 0.00 N ATOM 497 CA PRO A 30 -8.101 5.646 0.816 1.00 0.00 C ATOM 498 C PRO A 30 -8.015 4.295 0.098 1.00 0.00 C ATOM 499 O PRO A 30 -8.759 3.381 0.389 1.00 0.00 O ATOM 500 CB PRO A 30 -8.659 5.473 2.225 1.00 0.00 C ATOM 501 CG PRO A 30 -10.133 5.696 2.095 1.00 0.00 C ATOM 502 CD PRO A 30 -10.353 6.601 0.909 1.00 0.00 C ATOM 0 HA PRO A 30 -7.094 6.062 0.807 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -8.444 4.478 2.614 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -8.212 6.188 2.916 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -10.653 4.748 1.955 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -10.533 6.149 3.002 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -11.201 6.271 0.309 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -10.563 7.624 1.222 1.00 0.00 H new ATOM 510 N SER A 31 -7.113 4.162 -0.834 1.00 0.00 N ATOM 511 CA SER A 31 -6.984 2.868 -1.563 1.00 0.00 C ATOM 512 C SER A 31 -5.801 2.068 -1.012 1.00 0.00 C ATOM 513 O SER A 31 -4.766 2.617 -0.690 1.00 0.00 O ATOM 514 CB SER A 31 -6.737 3.255 -3.021 1.00 0.00 C ATOM 515 OG SER A 31 -6.724 2.081 -3.822 1.00 0.00 O ATOM 0 H SER A 31 -6.461 4.891 -1.122 1.00 0.00 H new ATOM 0 HA SER A 31 -7.870 2.243 -1.453 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.515 3.936 -3.366 1.00 0.00 H new ATOM 0 HB3 SER A 31 -5.788 3.783 -3.114 1.00 0.00 H new ATOM 0 HG SER A 31 -6.568 2.325 -4.758 1.00 0.00 H new ATOM 521 N CYS A 32 -5.945 0.776 -0.900 1.00 0.00 N ATOM 522 CA CYS A 32 -4.826 -0.054 -0.368 1.00 0.00 C ATOM 523 C CYS A 32 -4.240 -0.932 -1.478 1.00 0.00 C ATOM 524 O CYS A 32 -4.957 -1.561 -2.229 1.00 0.00 O ATOM 525 CB CYS A 32 -5.460 -0.918 0.722 1.00 0.00 C ATOM 526 SG CYS A 32 -6.604 -2.099 -0.036 1.00 0.00 S ATOM 0 H CYS A 32 -6.787 0.259 -1.153 1.00 0.00 H new ATOM 0 HA CYS A 32 -4.008 0.554 0.017 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -4.686 -1.449 1.276 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -5.990 -0.289 1.437 1.00 0.00 H new ATOM 0 HG CYS A 32 -6.194 -2.392 -1.235 1.00 0.00 H new ATOM 531 N VAL A 33 -2.939 -0.979 -1.583 1.00 0.00 N ATOM 532 CA VAL A 33 -2.304 -1.817 -2.641 1.00 0.00 C ATOM 533 C VAL A 33 -1.185 -2.667 -2.036 1.00 0.00 C ATOM 534 O VAL A 33 -0.240 -2.155 -1.471 1.00 0.00 O ATOM 535 CB VAL A 33 -1.734 -0.818 -3.648 1.00 0.00 C ATOM 536 CG1 VAL A 33 -1.095 -1.576 -4.813 1.00 0.00 C ATOM 537 CG2 VAL A 33 -2.861 0.070 -4.177 1.00 0.00 C ATOM 0 H VAL A 33 -2.288 -0.473 -0.982 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.011 -2.504 -3.106 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.981 -0.200 -3.160 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.689 -0.864 -5.531 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.292 -2.211 -4.438 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.848 -2.194 -5.302 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.456 0.783 -4.895 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.613 -0.549 -4.665 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.318 0.610 -3.348 1.00 0.00 H new ATOM 547 N CYS A 34 -1.286 -3.963 -2.145 1.00 0.00 N ATOM 548 CA CYS A 34 -0.229 -4.844 -1.570 1.00 0.00 C ATOM 549 C CYS A 34 0.896 -5.064 -2.586 1.00 0.00 C ATOM 550 O CYS A 34 0.720 -4.878 -3.774 1.00 0.00 O ATOM 551 CB CYS A 34 -0.937 -6.162 -1.261 1.00 0.00 C ATOM 552 SG CYS A 34 -2.457 -5.828 -0.338 1.00 0.00 S ATOM 0 H CYS A 34 -2.054 -4.450 -2.607 1.00 0.00 H new ATOM 0 HA CYS A 34 0.230 -4.408 -0.682 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -1.169 -6.688 -2.187 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.282 -6.812 -0.681 1.00 0.00 H new ATOM 0 HG CYS A 34 -2.204 -5.851 0.937 1.00 0.00 H new ATOM 557 N ASP A 35 2.053 -5.458 -2.126 1.00 0.00 N ATOM 558 CA ASP A 35 3.190 -5.691 -3.064 1.00 0.00 C ATOM 559 C ASP A 35 2.730 -6.535 -4.257 1.00 0.00 C ATOM 560 O ASP A 35 2.273 -7.649 -4.101 1.00 0.00 O ATOM 561 CB ASP A 35 4.232 -6.450 -2.241 1.00 0.00 C ATOM 562 CG ASP A 35 5.454 -5.558 -2.016 1.00 0.00 C ATOM 563 OD1 ASP A 35 5.367 -4.380 -2.319 1.00 0.00 O ATOM 564 OD2 ASP A 35 6.456 -6.069 -1.543 1.00 0.00 O ATOM 0 H ASP A 35 2.260 -5.629 -1.142 1.00 0.00 H new ATOM 0 HA ASP A 35 3.588 -4.761 -3.469 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.806 -6.750 -1.283 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.526 -7.363 -2.759 1.00 0.00 H new ATOM 569 N GLU A 36 2.845 -6.009 -5.446 1.00 0.00 N ATOM 570 CA GLU A 36 2.413 -6.782 -6.647 1.00 0.00 C ATOM 571 C GLU A 36 2.913 -8.226 -6.562 1.00 0.00 C ATOM 572 O GLU A 36 2.187 -9.161 -6.834 1.00 0.00 O ATOM 573 CB GLU A 36 3.058 -6.064 -7.833 1.00 0.00 C ATOM 574 CG GLU A 36 2.244 -4.816 -8.180 1.00 0.00 C ATOM 575 CD GLU A 36 2.265 -4.599 -9.693 1.00 0.00 C ATOM 576 OE1 GLU A 36 1.989 -5.546 -10.411 1.00 0.00 O ATOM 577 OE2 GLU A 36 2.555 -3.489 -10.109 1.00 0.00 O ATOM 0 H GLU A 36 3.218 -5.080 -5.638 1.00 0.00 H new ATOM 0 HA GLU A 36 1.328 -6.828 -6.736 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.083 -5.786 -7.589 1.00 0.00 H new ATOM 0 HB3 GLU A 36 3.105 -6.731 -8.694 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.217 -4.930 -7.832 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.658 -3.946 -7.671 1.00 0.00 H new ATOM 584 N GLY A 37 4.150 -8.414 -6.191 1.00 0.00 N ATOM 585 CA GLY A 37 4.697 -9.797 -6.096 1.00 0.00 C ATOM 586 C GLY A 37 4.460 -10.351 -4.689 1.00 0.00 C ATOM 587 O GLY A 37 5.349 -10.907 -4.074 1.00 0.00 O ATOM 0 H GLY A 37 4.805 -7.670 -5.950 1.00 0.00 H new ATOM 0 HA2 GLY A 37 4.218 -10.439 -6.835 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.764 -9.793 -6.320 1.00 0.00 H new ATOM 591 N TYR A 38 3.269 -10.208 -4.174 1.00 0.00 N ATOM 592 CA TYR A 38 2.984 -10.732 -2.808 1.00 0.00 C ATOM 593 C TYR A 38 1.831 -11.744 -2.857 1.00 0.00 C ATOM 594 O TYR A 38 1.175 -11.905 -3.867 1.00 0.00 O ATOM 595 CB TYR A 38 2.620 -9.489 -1.973 1.00 0.00 C ATOM 596 CG TYR A 38 1.119 -9.291 -1.925 1.00 0.00 C ATOM 597 CD1 TYR A 38 0.386 -9.175 -3.112 1.00 0.00 C ATOM 598 CD2 TYR A 38 0.464 -9.226 -0.689 1.00 0.00 C ATOM 599 CE1 TYR A 38 -1.001 -8.993 -3.064 1.00 0.00 C ATOM 600 CE2 TYR A 38 -0.922 -9.045 -0.640 1.00 0.00 C ATOM 601 CZ TYR A 38 -1.656 -8.928 -1.828 1.00 0.00 C ATOM 602 OH TYR A 38 -3.023 -8.750 -1.780 1.00 0.00 O ATOM 0 H TYR A 38 2.483 -9.752 -4.638 1.00 0.00 H new ATOM 0 HA TYR A 38 3.832 -11.263 -2.375 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.009 -9.599 -0.961 1.00 0.00 H new ATOM 0 HB3 TYR A 38 3.094 -8.606 -2.402 1.00 0.00 H new ATOM 0 HD1 TYR A 38 0.891 -9.226 -4.065 1.00 0.00 H new ATOM 0 HD2 TYR A 38 1.029 -9.316 0.227 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.566 -8.903 -3.980 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -1.427 -8.995 0.314 1.00 0.00 H new ATOM 0 HH TYR A 38 -3.226 -7.886 -1.363 1.00 0.00 H new ATOM 612 N ILE A 39 1.582 -12.424 -1.772 1.00 0.00 N ATOM 613 CA ILE A 39 0.473 -13.422 -1.756 1.00 0.00 C ATOM 614 C ILE A 39 -0.123 -13.527 -0.349 1.00 0.00 C ATOM 615 O ILE A 39 0.568 -13.380 0.641 1.00 0.00 O ATOM 616 CB ILE A 39 1.124 -14.743 -2.163 1.00 0.00 C ATOM 617 CG1 ILE A 39 1.505 -14.689 -3.646 1.00 0.00 C ATOM 618 CG2 ILE A 39 0.139 -15.890 -1.933 1.00 0.00 C ATOM 619 CD1 ILE A 39 2.039 -16.053 -4.087 1.00 0.00 C ATOM 0 H ILE A 39 2.097 -12.333 -0.896 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.342 -13.146 -2.426 1.00 0.00 H new ATOM 0 HB ILE A 39 2.019 -14.906 -1.563 1.00 0.00 H new ATOM 0 HG12 ILE A 39 0.637 -14.416 -4.246 1.00 0.00 H new ATOM 0 HG13 ILE A 39 2.260 -13.921 -3.810 1.00 0.00 H new ATOM 0 HG21 ILE A 39 0.604 -16.832 -2.223 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.133 -15.930 -0.878 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.756 -15.727 -2.533 1.00 0.00 H new ATOM 0 HD11 ILE A 39 2.310 -16.014 -5.142 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.919 -16.308 -3.496 1.00 0.00 H new ATOM 0 HD13 ILE A 39 1.270 -16.811 -3.938 1.00 0.00 H new ATOM 631 N GLY A 40 -1.400 -13.779 -0.252 1.00 0.00 N ATOM 632 CA GLY A 40 -2.037 -13.894 1.091 1.00 0.00 C ATOM 633 C GLY A 40 -3.116 -12.821 1.242 1.00 0.00 C ATOM 634 O GLY A 40 -3.224 -11.918 0.436 1.00 0.00 O ATOM 0 H GLY A 40 -2.029 -13.910 -1.044 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.476 -14.884 1.213 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.285 -13.780 1.872 1.00 0.00 H new ATOM 638 N ALA A 41 -3.916 -12.910 2.270 1.00 0.00 N ATOM 639 CA ALA A 41 -4.988 -11.893 2.472 1.00 0.00 C ATOM 640 C ALA A 41 -4.445 -10.706 3.272 1.00 0.00 C ATOM 641 O ALA A 41 -4.743 -9.563 2.986 1.00 0.00 O ATOM 642 CB ALA A 41 -6.079 -12.620 3.259 1.00 0.00 C ATOM 0 H ALA A 41 -3.874 -13.643 2.978 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.364 -11.494 1.530 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.907 -11.937 3.449 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.437 -13.473 2.682 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.672 -12.969 4.208 1.00 0.00 H new ATOM 648 N ARG A 42 -3.647 -10.967 4.272 1.00 0.00 N ATOM 649 CA ARG A 42 -3.084 -9.852 5.085 1.00 0.00 C ATOM 650 C ARG A 42 -1.713 -9.443 4.540 1.00 0.00 C ATOM 651 O ARG A 42 -0.996 -8.674 5.148 1.00 0.00 O ATOM 652 CB ARG A 42 -2.951 -10.418 6.499 1.00 0.00 C ATOM 653 CG ARG A 42 -4.141 -9.961 7.346 1.00 0.00 C ATOM 654 CD ARG A 42 -3.819 -10.163 8.828 1.00 0.00 C ATOM 655 NE ARG A 42 -4.264 -8.908 9.492 1.00 0.00 N ATOM 656 CZ ARG A 42 -3.578 -8.416 10.487 1.00 0.00 C ATOM 657 NH1 ARG A 42 -2.273 -8.420 10.446 1.00 0.00 N ATOM 658 NH2 ARG A 42 -4.196 -7.923 11.527 1.00 0.00 N ATOM 0 H ARG A 42 -3.361 -11.903 4.560 1.00 0.00 H new ATOM 0 HA ARG A 42 -3.715 -8.964 5.061 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.913 -11.507 6.464 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -2.018 -10.080 6.951 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.359 -8.911 7.150 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -5.032 -10.527 7.076 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -4.342 -11.030 9.231 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -2.753 -10.334 8.981 1.00 0.00 H new ATOM 0 HE ARG A 42 -5.106 -8.432 9.169 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -1.789 -8.808 9.636 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -1.737 -8.035 11.224 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -5.215 -7.923 11.562 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -3.659 -7.539 12.304 1.00 0.00 H new ATOM 672 N CYS A 43 -1.348 -9.953 3.395 1.00 0.00 N ATOM 673 CA CYS A 43 -0.025 -9.596 2.801 1.00 0.00 C ATOM 674 C CYS A 43 1.110 -10.154 3.666 1.00 0.00 C ATOM 675 O CYS A 43 1.968 -9.425 4.122 1.00 0.00 O ATOM 676 CB CYS A 43 0.018 -8.063 2.784 1.00 0.00 C ATOM 677 SG CYS A 43 -1.581 -7.402 2.247 1.00 0.00 S ATOM 0 H CYS A 43 -1.909 -10.602 2.844 1.00 0.00 H new ATOM 0 HA CYS A 43 0.098 -10.013 1.801 1.00 0.00 H new ATOM 0 HB2 CYS A 43 0.260 -7.687 3.778 1.00 0.00 H new ATOM 0 HB3 CYS A 43 0.806 -7.721 2.113 1.00 0.00 H new ATOM 0 HG CYS A 43 -1.584 -7.270 0.954 1.00 0.00 H new ATOM 682 N GLU A 44 1.124 -11.438 3.894 1.00 0.00 N ATOM 683 CA GLU A 44 2.206 -12.033 4.731 1.00 0.00 C ATOM 684 C GLU A 44 3.100 -12.941 3.882 1.00 0.00 C ATOM 685 O GLU A 44 4.255 -13.155 4.195 1.00 0.00 O ATOM 686 CB GLU A 44 1.478 -12.847 5.801 1.00 0.00 C ATOM 687 CG GLU A 44 0.432 -13.745 5.139 1.00 0.00 C ATOM 688 CD GLU A 44 0.501 -15.146 5.750 1.00 0.00 C ATOM 689 OE1 GLU A 44 1.068 -15.275 6.822 1.00 0.00 O ATOM 690 OE2 GLU A 44 -0.015 -16.065 5.136 1.00 0.00 O ATOM 0 H GLU A 44 0.435 -12.101 3.538 1.00 0.00 H new ATOM 0 HA GLU A 44 2.853 -11.272 5.167 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.191 -13.453 6.359 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.998 -12.179 6.517 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -0.564 -13.325 5.278 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.609 -13.796 4.065 1.00 0.00 H new ATOM 697 N ARG A 45 2.580 -13.478 2.813 1.00 0.00 N ATOM 698 CA ARG A 45 3.407 -14.372 1.953 1.00 0.00 C ATOM 699 C ARG A 45 4.129 -13.553 0.879 1.00 0.00 C ATOM 700 O ARG A 45 3.658 -12.519 0.451 1.00 0.00 O ATOM 701 CB ARG A 45 2.413 -15.340 1.313 1.00 0.00 C ATOM 702 CG ARG A 45 3.109 -16.672 1.029 1.00 0.00 C ATOM 703 CD ARG A 45 3.072 -16.958 -0.474 1.00 0.00 C ATOM 704 NE ARG A 45 3.225 -18.435 -0.589 1.00 0.00 N ATOM 705 CZ ARG A 45 4.347 -18.943 -1.021 1.00 0.00 C ATOM 706 NH1 ARG A 45 5.399 -18.957 -0.248 1.00 0.00 N ATOM 707 NH2 ARG A 45 4.418 -19.439 -2.227 1.00 0.00 N ATOM 0 H ARG A 45 1.620 -13.337 2.498 1.00 0.00 H new ATOM 0 HA ARG A 45 4.175 -14.896 2.522 1.00 0.00 H new ATOM 0 HB2 ARG A 45 1.562 -15.496 1.977 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.022 -14.917 0.388 1.00 0.00 H new ATOM 0 HG2 ARG A 45 4.141 -16.637 1.378 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.615 -17.476 1.575 1.00 0.00 H new ATOM 0 HD2 ARG A 45 2.134 -16.623 -0.917 1.00 0.00 H new ATOM 0 HD3 ARG A 45 3.875 -16.436 -0.995 1.00 0.00 H new ATOM 0 HE ARG A 45 2.453 -19.049 -0.330 1.00 0.00 H new ATOM 0 HH11 ARG A 45 5.345 -18.571 0.694 1.00 0.00 H new ATOM 0 HH12 ARG A 45 6.275 -19.354 -0.587 1.00 0.00 H new ATOM 0 HH21 ARG A 45 3.597 -19.429 -2.832 1.00 0.00 H new ATOM 0 HH22 ARG A 45 5.295 -19.836 -2.564 1.00 0.00 H new ATOM 721 N VAL A 46 5.269 -14.011 0.441 1.00 0.00 N ATOM 722 CA VAL A 46 6.022 -13.264 -0.606 1.00 0.00 C ATOM 723 C VAL A 46 6.361 -14.194 -1.773 1.00 0.00 C ATOM 724 O VAL A 46 6.705 -15.344 -1.583 1.00 0.00 O ATOM 725 CB VAL A 46 7.297 -12.784 0.087 1.00 0.00 C ATOM 726 CG1 VAL A 46 7.896 -13.927 0.909 1.00 0.00 C ATOM 727 CG2 VAL A 46 8.309 -12.330 -0.967 1.00 0.00 C ATOM 0 H VAL A 46 5.712 -14.871 0.763 1.00 0.00 H new ATOM 0 HA VAL A 46 5.447 -12.434 -1.017 1.00 0.00 H new ATOM 0 HB VAL A 46 7.058 -11.950 0.747 1.00 0.00 H new ATOM 0 HG11 VAL A 46 8.805 -13.583 1.402 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.176 -14.251 1.660 1.00 0.00 H new ATOM 0 HG13 VAL A 46 8.134 -14.762 0.251 1.00 0.00 H new ATOM 0 HG21 VAL A 46 9.219 -11.987 -0.474 1.00 0.00 H new ATOM 0 HG22 VAL A 46 8.546 -13.164 -1.627 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.884 -11.514 -1.552 1.00 0.00 H new ATOM 737 N ASP A 47 6.267 -13.707 -2.980 1.00 0.00 N ATOM 738 CA ASP A 47 6.583 -14.568 -4.156 1.00 0.00 C ATOM 739 C ASP A 47 7.252 -13.742 -5.256 1.00 0.00 C ATOM 740 O ASP A 47 6.706 -13.557 -6.326 1.00 0.00 O ATOM 741 CB ASP A 47 5.230 -15.099 -4.631 1.00 0.00 C ATOM 742 CG ASP A 47 5.289 -16.624 -4.742 1.00 0.00 C ATOM 743 OD1 ASP A 47 6.197 -17.205 -4.171 1.00 0.00 O ATOM 744 OD2 ASP A 47 4.425 -17.185 -5.397 1.00 0.00 O ATOM 0 H ASP A 47 5.986 -12.752 -3.203 1.00 0.00 H new ATOM 0 HA ASP A 47 7.273 -15.373 -3.904 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.447 -14.805 -3.932 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.976 -14.663 -5.597 1.00 0.00 H new ATOM 749 N LEU A 48 8.433 -13.246 -5.005 1.00 0.00 N ATOM 750 CA LEU A 48 9.135 -12.433 -6.043 1.00 0.00 C ATOM 751 C LEU A 48 10.444 -13.119 -6.460 1.00 0.00 C ATOM 752 O LEU A 48 11.091 -12.717 -7.407 1.00 0.00 O ATOM 753 CB LEU A 48 9.393 -11.068 -5.381 1.00 0.00 C ATOM 754 CG LEU A 48 10.755 -11.046 -4.671 1.00 0.00 C ATOM 755 CD1 LEU A 48 11.769 -10.301 -5.540 1.00 0.00 C ATOM 756 CD2 LEU A 48 10.615 -10.327 -3.328 1.00 0.00 C ATOM 0 H LEU A 48 8.942 -13.367 -4.129 1.00 0.00 H new ATOM 0 HA LEU A 48 8.548 -12.322 -6.954 1.00 0.00 H new ATOM 0 HB2 LEU A 48 9.360 -10.282 -6.136 1.00 0.00 H new ATOM 0 HB3 LEU A 48 8.602 -10.853 -4.663 1.00 0.00 H new ATOM 0 HG LEU A 48 11.096 -12.068 -4.506 1.00 0.00 H new ATOM 0 HD11 LEU A 48 12.736 -10.284 -5.038 1.00 0.00 H new ATOM 0 HD12 LEU A 48 11.867 -10.808 -6.500 1.00 0.00 H new ATOM 0 HD13 LEU A 48 11.427 -9.279 -5.703 1.00 0.00 H new ATOM 0 HD21 LEU A 48 11.580 -10.310 -2.822 1.00 0.00 H new ATOM 0 HD22 LEU A 48 10.275 -9.305 -3.496 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.889 -10.853 -2.708 1.00 0.00 H new ATOM 768 N PHE A 49 10.835 -14.148 -5.759 1.00 0.00 N ATOM 769 CA PHE A 49 12.099 -14.856 -6.113 1.00 0.00 C ATOM 770 C PHE A 49 11.983 -15.478 -7.508 1.00 0.00 C ATOM 771 O PHE A 49 12.549 -14.989 -8.466 1.00 0.00 O ATOM 772 CB PHE A 49 12.255 -15.947 -5.054 1.00 0.00 C ATOM 773 CG PHE A 49 13.418 -15.611 -4.152 1.00 0.00 C ATOM 774 CD1 PHE A 49 13.330 -14.528 -3.270 1.00 0.00 C ATOM 775 CD2 PHE A 49 14.585 -16.383 -4.198 1.00 0.00 C ATOM 776 CE1 PHE A 49 14.408 -14.217 -2.433 1.00 0.00 C ATOM 777 CE2 PHE A 49 15.664 -16.072 -3.361 1.00 0.00 C ATOM 778 CZ PHE A 49 15.575 -14.989 -2.479 1.00 0.00 C ATOM 0 H PHE A 49 10.334 -14.529 -4.956 1.00 0.00 H new ATOM 0 HA PHE A 49 12.956 -14.183 -6.133 1.00 0.00 H new ATOM 0 HB2 PHE A 49 11.340 -16.033 -4.468 1.00 0.00 H new ATOM 0 HB3 PHE A 49 12.419 -16.912 -5.533 1.00 0.00 H new ATOM 0 HD1 PHE A 49 12.430 -13.932 -3.235 1.00 0.00 H new ATOM 0 HD2 PHE A 49 14.653 -17.218 -4.879 1.00 0.00 H new ATOM 0 HE1 PHE A 49 14.339 -13.382 -1.752 1.00 0.00 H new ATOM 0 HE2 PHE A 49 16.564 -16.668 -3.396 1.00 0.00 H new ATOM 0 HZ PHE A 49 16.407 -14.749 -1.834 1.00 0.00 H new ATOM 788 N TYR A 50 11.255 -16.555 -7.628 1.00 0.00 N ATOM 789 CA TYR A 50 11.104 -17.209 -8.960 1.00 0.00 C ATOM 790 C TYR A 50 9.946 -16.573 -9.734 1.00 0.00 C ATOM 791 O TYR A 50 10.181 -15.580 -10.402 1.00 0.00 O ATOM 792 CB TYR A 50 10.800 -18.674 -8.646 1.00 0.00 C ATOM 793 CG TYR A 50 11.785 -19.184 -7.622 1.00 0.00 C ATOM 794 CD1 TYR A 50 13.152 -18.927 -7.777 1.00 0.00 C ATOM 795 CD2 TYR A 50 11.331 -19.911 -6.515 1.00 0.00 C ATOM 796 CE1 TYR A 50 14.065 -19.399 -6.826 1.00 0.00 C ATOM 797 CE2 TYR A 50 12.244 -20.383 -5.565 1.00 0.00 C ATOM 798 CZ TYR A 50 13.611 -20.127 -5.720 1.00 0.00 C ATOM 799 OH TYR A 50 14.512 -20.592 -4.783 1.00 0.00 O ATOM 800 OXT TYR A 50 8.844 -17.091 -9.644 1.00 0.00 O ATOM 0 H TYR A 50 10.758 -17.010 -6.862 1.00 0.00 H new ATOM 0 HA TYR A 50 11.995 -17.100 -9.579 1.00 0.00 H new ATOM 0 HB2 TYR A 50 9.782 -18.772 -8.268 1.00 0.00 H new ATOM 0 HB3 TYR A 50 10.862 -19.272 -9.555 1.00 0.00 H new ATOM 0 HD1 TYR A 50 13.503 -18.365 -8.630 1.00 0.00 H new ATOM 0 HD2 TYR A 50 10.276 -20.108 -6.394 1.00 0.00 H new ATOM 0 HE1 TYR A 50 15.120 -19.201 -6.946 1.00 0.00 H new ATOM 0 HE2 TYR A 50 11.893 -20.945 -4.712 1.00 0.00 H new ATOM 0 HH TYR A 50 14.032 -21.076 -4.079 1.00 0.00 H new TER 810 TYR A 50