USER MOD reduce.3.24.130724 H: found=0, std=0, add=251, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 249 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ASP N :NH3+ -121:sc= 0.168 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.0012 K(o=-0.0012,f=-0.84) USER MOD Single : A 13 ASN : amide:sc= -0.0309 K(o=-0.031,f=0.94) USER MOD Single : A 15 LYS NZ :NH3+ -169:sc=-0.00807 (180deg=-0.141) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -175:sc= 0.351 (180deg=0.205) USER MOD Single : A 24 SER OG : rot 180:sc= 0.0268 USER MOD Single : A 25 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 152:sc= 0.122 (180deg=0.00312) USER MOD Single : A 32 HIS : no HD1:sc= -0.422 X(o=-0.42,f=-0.017) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -11.165 -3.496 -2.393 1.00 0.00 N ATOM 2 CA ASP A 1 -10.144 -4.518 -2.145 1.00 0.00 C ATOM 3 C ASP A 1 -8.843 -3.842 -1.805 1.00 0.00 C ATOM 4 O ASP A 1 -8.787 -2.601 -1.704 1.00 0.00 O ATOM 5 CB ASP A 1 -9.960 -5.461 -3.352 1.00 0.00 C ATOM 6 CG ASP A 1 -11.186 -6.283 -3.657 1.00 0.00 C ATOM 7 OD1 ASP A 1 -12.070 -5.809 -4.390 1.00 0.00 O ATOM 8 OD2 ASP A 1 -11.295 -7.424 -3.177 1.00 0.00 O ATOM 0 H1 ASP A 1 -11.955 -3.626 -1.729 1.00 0.00 H new ATOM 0 H2 ASP A 1 -10.751 -2.552 -2.258 1.00 0.00 H new ATOM 0 H3 ASP A 1 -11.515 -3.585 -3.368 1.00 0.00 H new ATOM 0 HA ASP A 1 -10.475 -5.134 -1.309 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -9.699 -4.870 -4.230 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -9.121 -6.130 -3.158 1.00 0.00 H new ATOM 15 N CYS A 2 -7.815 -4.621 -1.597 1.00 0.00 N ATOM 16 CA CYS A 2 -6.518 -4.101 -1.260 1.00 0.00 C ATOM 17 C CYS A 2 -5.736 -3.725 -2.504 1.00 0.00 C ATOM 18 O CYS A 2 -6.010 -4.221 -3.605 1.00 0.00 O ATOM 19 CB CYS A 2 -5.751 -5.121 -0.430 1.00 0.00 C ATOM 20 SG CYS A 2 -5.595 -6.778 -1.203 1.00 0.00 S ATOM 0 H CYS A 2 -7.855 -5.638 -1.657 1.00 0.00 H new ATOM 0 HA CYS A 2 -6.653 -3.194 -0.671 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -4.752 -4.732 -0.233 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -6.246 -5.230 0.535 1.00 0.00 H new ATOM 25 N LEU A 3 -4.798 -2.833 -2.334 1.00 0.00 N ATOM 26 CA LEU A 3 -3.944 -2.404 -3.406 1.00 0.00 C ATOM 27 C LEU A 3 -2.876 -3.449 -3.628 1.00 0.00 C ATOM 28 O LEU A 3 -2.282 -3.957 -2.661 1.00 0.00 O ATOM 29 CB LEU A 3 -3.297 -1.078 -3.058 1.00 0.00 C ATOM 30 CG LEU A 3 -4.239 0.064 -2.725 1.00 0.00 C ATOM 31 CD1 LEU A 3 -3.456 1.249 -2.228 1.00 0.00 C ATOM 32 CD2 LEU A 3 -5.044 0.447 -3.942 1.00 0.00 C ATOM 0 H LEU A 3 -4.604 -2.381 -1.441 1.00 0.00 H new ATOM 0 HA LEU A 3 -4.534 -2.277 -4.314 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -2.634 -1.234 -2.207 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -2.672 -0.772 -3.897 1.00 0.00 H new ATOM 0 HG LEU A 3 -4.923 -0.261 -1.941 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -4.140 2.064 -1.991 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -2.902 0.969 -1.332 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -2.758 1.574 -3.000 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -5.716 1.267 -3.690 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -4.371 0.761 -4.740 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -5.628 -0.411 -4.277 1.00 0.00 H new ATOM 44 N LYS A 4 -2.637 -3.764 -4.871 1.00 0.00 N ATOM 45 CA LYS A 4 -1.678 -4.787 -5.239 1.00 0.00 C ATOM 46 C LYS A 4 -0.281 -4.221 -5.434 1.00 0.00 C ATOM 47 O LYS A 4 -0.047 -3.020 -5.257 1.00 0.00 O ATOM 48 CB LYS A 4 -2.118 -5.539 -6.490 1.00 0.00 C ATOM 49 CG LYS A 4 -3.331 -6.420 -6.300 1.00 0.00 C ATOM 50 CD LYS A 4 -3.590 -7.232 -7.549 1.00 0.00 C ATOM 51 CE LYS A 4 -4.670 -8.268 -7.327 1.00 0.00 C ATOM 52 NZ LYS A 4 -4.834 -9.139 -8.504 1.00 0.00 N ATOM 0 H LYS A 4 -3.100 -3.321 -5.665 1.00 0.00 H new ATOM 0 HA LYS A 4 -1.641 -5.488 -4.405 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -2.330 -4.815 -7.277 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -1.289 -6.155 -6.838 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -3.176 -7.086 -5.451 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -4.202 -5.807 -6.070 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -3.884 -6.567 -8.361 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -2.669 -7.726 -7.860 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -4.420 -8.874 -6.456 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -5.614 -7.769 -7.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -5.582 -9.837 -8.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -5.096 -8.562 -9.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -3.940 -9.633 -8.698 1.00 0.00 H new ATOM 66 N PHE A 5 0.640 -5.096 -5.787 1.00 0.00 N ATOM 67 CA PHE A 5 2.029 -4.754 -5.965 1.00 0.00 C ATOM 68 C PHE A 5 2.194 -3.787 -7.119 1.00 0.00 C ATOM 69 O PHE A 5 1.852 -4.091 -8.265 1.00 0.00 O ATOM 70 CB PHE A 5 2.858 -6.028 -6.183 1.00 0.00 C ATOM 71 CG PHE A 5 4.338 -5.807 -6.305 1.00 0.00 C ATOM 72 CD1 PHE A 5 5.058 -5.292 -5.247 1.00 0.00 C ATOM 73 CD2 PHE A 5 5.009 -6.140 -7.468 1.00 0.00 C ATOM 74 CE1 PHE A 5 6.419 -5.108 -5.343 1.00 0.00 C ATOM 75 CE2 PHE A 5 6.373 -5.955 -7.571 1.00 0.00 C ATOM 76 CZ PHE A 5 7.077 -5.439 -6.503 1.00 0.00 C ATOM 0 H PHE A 5 0.436 -6.080 -5.960 1.00 0.00 H new ATOM 0 HA PHE A 5 2.392 -4.259 -5.064 1.00 0.00 H new ATOM 0 HB2 PHE A 5 2.675 -6.710 -5.352 1.00 0.00 H new ATOM 0 HB3 PHE A 5 2.504 -6.524 -7.087 1.00 0.00 H new ATOM 0 HD1 PHE A 5 4.548 -5.030 -4.332 1.00 0.00 H new ATOM 0 HD2 PHE A 5 4.460 -6.549 -8.304 1.00 0.00 H new ATOM 0 HE1 PHE A 5 6.970 -4.703 -4.507 1.00 0.00 H new ATOM 0 HE2 PHE A 5 6.887 -6.213 -8.485 1.00 0.00 H new ATOM 0 HZ PHE A 5 8.145 -5.295 -6.578 1.00 0.00 H new ATOM 86 N GLY A 6 2.687 -2.624 -6.803 1.00 0.00 N ATOM 87 CA GLY A 6 2.881 -1.613 -7.788 1.00 0.00 C ATOM 88 C GLY A 6 1.721 -0.654 -7.859 1.00 0.00 C ATOM 89 O GLY A 6 1.724 0.267 -8.674 1.00 0.00 O ATOM 0 H GLY A 6 2.963 -2.356 -5.858 1.00 0.00 H new ATOM 0 HA2 GLY A 6 3.793 -1.060 -7.563 1.00 0.00 H new ATOM 0 HA3 GLY A 6 3.023 -2.081 -8.762 1.00 0.00 H new ATOM 93 N TRP A 7 0.726 -0.838 -7.020 1.00 0.00 N ATOM 94 CA TRP A 7 -0.409 0.063 -7.043 1.00 0.00 C ATOM 95 C TRP A 7 -0.099 1.290 -6.235 1.00 0.00 C ATOM 96 O TRP A 7 0.656 1.219 -5.256 1.00 0.00 O ATOM 97 CB TRP A 7 -1.694 -0.606 -6.543 1.00 0.00 C ATOM 98 CG TRP A 7 -2.290 -1.606 -7.498 1.00 0.00 C ATOM 99 CD1 TRP A 7 -1.627 -2.401 -8.385 1.00 0.00 C ATOM 100 CD2 TRP A 7 -3.679 -1.934 -7.634 1.00 0.00 C ATOM 101 NE1 TRP A 7 -2.513 -3.190 -9.063 1.00 0.00 N ATOM 102 CE2 TRP A 7 -3.779 -2.927 -8.621 1.00 0.00 C ATOM 103 CE3 TRP A 7 -4.846 -1.483 -7.016 1.00 0.00 C ATOM 104 CZ2 TRP A 7 -4.997 -3.478 -9.004 1.00 0.00 C ATOM 105 CZ3 TRP A 7 -6.055 -2.029 -7.395 1.00 0.00 C ATOM 106 CH2 TRP A 7 -6.123 -3.019 -8.380 1.00 0.00 C ATOM 0 H TRP A 7 0.676 -1.585 -6.327 1.00 0.00 H new ATOM 0 HA TRP A 7 -0.587 0.347 -8.080 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -1.484 -1.106 -5.598 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -2.435 0.167 -6.337 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -0.557 -2.406 -8.531 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -2.268 -3.868 -9.785 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -4.803 -0.719 -6.254 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -5.051 -4.241 -9.767 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -6.964 -1.686 -6.923 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -7.084 -3.429 -8.653 1.00 0.00 H new ATOM 117 N LYS A 8 -0.629 2.411 -6.665 1.00 0.00 N ATOM 118 CA LYS A 8 -0.418 3.656 -5.972 1.00 0.00 C ATOM 119 C LYS A 8 -1.168 3.647 -4.665 1.00 0.00 C ATOM 120 O LYS A 8 -2.382 3.375 -4.623 1.00 0.00 O ATOM 121 CB LYS A 8 -0.849 4.858 -6.819 1.00 0.00 C ATOM 122 CG LYS A 8 -0.109 5.007 -8.140 1.00 0.00 C ATOM 123 CD LYS A 8 1.391 5.094 -7.940 1.00 0.00 C ATOM 124 CE LYS A 8 2.100 5.351 -9.253 1.00 0.00 C ATOM 125 NZ LYS A 8 3.562 5.309 -9.097 1.00 0.00 N ATOM 0 H LYS A 8 -1.213 2.484 -7.498 1.00 0.00 H new ATOM 0 HA LYS A 8 0.650 3.755 -5.780 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.916 4.776 -7.024 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -0.706 5.767 -6.234 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.341 4.159 -8.784 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -0.459 5.902 -8.654 1.00 0.00 H new ATOM 0 HD2 LYS A 8 1.622 5.893 -7.236 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.757 4.166 -7.500 1.00 0.00 H new ATOM 0 HE2 LYS A 8 1.790 4.606 -9.986 1.00 0.00 H new ATOM 0 HE3 LYS A 8 1.803 6.325 -9.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 4.014 5.489 -10.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 3.859 6.037 -8.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 3.847 4.371 -8.749 1.00 0.00 H new ATOM 139 N CYS A 9 -0.461 3.920 -3.626 1.00 0.00 N ATOM 140 CA CYS A 9 -1.003 3.934 -2.308 1.00 0.00 C ATOM 141 C CYS A 9 -0.835 5.313 -1.729 1.00 0.00 C ATOM 142 O CYS A 9 -0.133 6.165 -2.310 1.00 0.00 O ATOM 143 CB CYS A 9 -0.269 2.915 -1.433 1.00 0.00 C ATOM 144 SG CYS A 9 1.507 3.255 -1.251 1.00 0.00 S ATOM 0 H CYS A 9 0.533 4.145 -3.667 1.00 0.00 H new ATOM 0 HA CYS A 9 -2.060 3.672 -2.342 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -0.730 2.898 -0.445 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -0.398 1.921 -1.862 1.00 0.00 H new ATOM 149 N ASN A 10 -1.474 5.549 -0.633 1.00 0.00 N ATOM 150 CA ASN A 10 -1.346 6.783 0.082 1.00 0.00 C ATOM 151 C ASN A 10 -0.531 6.498 1.315 1.00 0.00 C ATOM 152 O ASN A 10 -1.003 5.806 2.204 1.00 0.00 O ATOM 153 CB ASN A 10 -2.722 7.366 0.469 1.00 0.00 C ATOM 154 CG ASN A 10 -3.515 7.891 -0.721 1.00 0.00 C ATOM 155 OD1 ASN A 10 -2.949 8.358 -1.717 1.00 0.00 O ATOM 156 ND2 ASN A 10 -4.820 7.833 -0.633 1.00 0.00 N ATOM 0 H ASN A 10 -2.111 4.882 -0.198 1.00 0.00 H new ATOM 0 HA ASN A 10 -0.860 7.528 -0.549 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -3.306 6.596 0.973 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -2.577 8.175 1.185 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -5.399 8.178 -1.399 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -5.258 7.442 0.201 1.00 0.00 H new ATOM 163 N PRO A 11 0.706 7.018 1.391 1.00 0.00 N ATOM 164 CA PRO A 11 1.654 6.718 2.490 1.00 0.00 C ATOM 165 C PRO A 11 1.133 7.057 3.898 1.00 0.00 C ATOM 166 O PRO A 11 1.734 6.653 4.902 1.00 0.00 O ATOM 167 CB PRO A 11 2.886 7.559 2.149 1.00 0.00 C ATOM 168 CG PRO A 11 2.400 8.579 1.186 1.00 0.00 C ATOM 169 CD PRO A 11 1.311 7.925 0.406 1.00 0.00 C ATOM 0 HA PRO A 11 1.845 5.646 2.545 1.00 0.00 H new ATOM 0 HB2 PRO A 11 3.304 8.026 3.041 1.00 0.00 H new ATOM 0 HB3 PRO A 11 3.673 6.946 1.711 1.00 0.00 H new ATOM 0 HG2 PRO A 11 2.030 9.462 1.707 1.00 0.00 H new ATOM 0 HG3 PRO A 11 3.205 8.910 0.530 1.00 0.00 H new ATOM 0 HD2 PRO A 11 0.591 8.651 0.029 1.00 0.00 H new ATOM 0 HD3 PRO A 11 1.700 7.384 -0.457 1.00 0.00 H new ATOM 177 N ARG A 12 0.041 7.806 3.967 1.00 0.00 N ATOM 178 CA ARG A 12 -0.604 8.112 5.230 1.00 0.00 C ATOM 179 C ARG A 12 -1.250 6.856 5.816 1.00 0.00 C ATOM 180 O ARG A 12 -1.120 6.579 7.010 1.00 0.00 O ATOM 181 CB ARG A 12 -1.672 9.198 5.055 1.00 0.00 C ATOM 182 CG ARG A 12 -1.144 10.589 4.734 1.00 0.00 C ATOM 183 CD ARG A 12 -0.332 11.163 5.884 1.00 0.00 C ATOM 184 NE ARG A 12 0.048 12.553 5.637 1.00 0.00 N ATOM 185 CZ ARG A 12 0.562 13.388 6.540 1.00 0.00 C ATOM 186 NH1 ARG A 12 0.832 12.969 7.776 1.00 0.00 N ATOM 187 NH2 ARG A 12 0.803 14.650 6.208 1.00 0.00 N ATOM 0 H ARG A 12 -0.418 8.215 3.153 1.00 0.00 H new ATOM 0 HA ARG A 12 0.162 8.480 5.913 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -2.349 8.892 4.258 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -2.262 9.254 5.970 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -0.525 10.545 3.838 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -1.980 11.253 4.512 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -0.912 11.103 6.805 1.00 0.00 H new ATOM 0 HD3 ARG A 12 0.565 10.561 6.032 1.00 0.00 H new ATOM 0 HE ARG A 12 -0.092 12.915 4.694 1.00 0.00 H new ATOM 0 HH11 ARG A 12 0.645 12.001 8.039 1.00 0.00 H new ATOM 0 HH12 ARG A 12 1.225 13.616 8.459 1.00 0.00 H new ATOM 0 HH21 ARG A 12 0.595 14.978 5.265 1.00 0.00 H new ATOM 0 HH22 ARG A 12 1.196 15.292 6.896 1.00 0.00 H new ATOM 201 N ASN A 13 -1.907 6.091 4.973 1.00 0.00 N ATOM 202 CA ASN A 13 -2.618 4.913 5.398 1.00 0.00 C ATOM 203 C ASN A 13 -2.500 3.782 4.391 1.00 0.00 C ATOM 204 O ASN A 13 -2.886 3.903 3.234 1.00 0.00 O ATOM 205 CB ASN A 13 -4.083 5.231 5.772 1.00 0.00 C ATOM 206 CG ASN A 13 -4.888 6.036 4.738 1.00 0.00 C ATOM 207 OD1 ASN A 13 -4.678 5.959 3.529 1.00 0.00 O ATOM 208 ND2 ASN A 13 -5.815 6.831 5.224 1.00 0.00 N ATOM 0 H ASN A 13 -1.961 6.272 3.971 1.00 0.00 H new ATOM 0 HA ASN A 13 -2.138 4.557 6.310 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.602 4.290 5.953 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -4.085 5.782 6.712 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -6.379 7.402 4.594 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -5.970 6.877 6.231 1.00 0.00 H new ATOM 215 N ASP A 14 -1.947 2.693 4.845 1.00 0.00 N ATOM 216 CA ASP A 14 -1.686 1.531 4.013 1.00 0.00 C ATOM 217 C ASP A 14 -2.980 0.821 3.665 1.00 0.00 C ATOM 218 O ASP A 14 -3.728 0.393 4.554 1.00 0.00 O ATOM 219 CB ASP A 14 -0.766 0.562 4.751 1.00 0.00 C ATOM 220 CG ASP A 14 -0.262 -0.580 3.888 1.00 0.00 C ATOM 221 OD1 ASP A 14 -1.060 -1.466 3.497 1.00 0.00 O ATOM 222 OD2 ASP A 14 0.964 -0.623 3.618 1.00 0.00 O ATOM 0 H ASP A 14 -1.657 2.576 5.816 1.00 0.00 H new ATOM 0 HA ASP A 14 -1.207 1.868 3.094 1.00 0.00 H new ATOM 0 HB2 ASP A 14 0.089 1.114 5.143 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.299 0.150 5.608 1.00 0.00 H new ATOM 227 N LYS A 15 -3.255 0.731 2.391 1.00 0.00 N ATOM 228 CA LYS A 15 -4.422 0.023 1.893 1.00 0.00 C ATOM 229 C LYS A 15 -3.963 -1.106 0.978 1.00 0.00 C ATOM 230 O LYS A 15 -4.735 -1.637 0.174 1.00 0.00 O ATOM 231 CB LYS A 15 -5.343 0.987 1.123 1.00 0.00 C ATOM 232 CG LYS A 15 -5.920 2.138 1.961 1.00 0.00 C ATOM 233 CD LYS A 15 -6.904 1.659 3.023 1.00 0.00 C ATOM 234 CE LYS A 15 -8.157 1.033 2.409 1.00 0.00 C ATOM 235 NZ LYS A 15 -8.926 1.989 1.578 1.00 0.00 N ATOM 0 H LYS A 15 -2.678 1.146 1.660 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.982 -0.390 2.732 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.785 1.410 0.287 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.169 0.416 0.699 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.103 2.675 2.444 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.421 2.847 1.301 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.414 0.929 3.667 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -7.192 2.499 3.655 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -7.869 0.177 1.798 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.797 0.654 3.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.851 1.577 1.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.066 2.874 2.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.401 2.188 0.703 1.00 0.00 H new ATOM 249 N CYS A 16 -2.714 -1.488 1.128 1.00 0.00 N ATOM 250 CA CYS A 16 -2.115 -2.520 0.313 1.00 0.00 C ATOM 251 C CYS A 16 -2.503 -3.889 0.864 1.00 0.00 C ATOM 252 O CYS A 16 -2.961 -3.997 2.005 1.00 0.00 O ATOM 253 CB CYS A 16 -0.585 -2.367 0.299 1.00 0.00 C ATOM 254 SG CYS A 16 0.014 -0.697 -0.172 1.00 0.00 S ATOM 0 H CYS A 16 -2.083 -1.089 1.823 1.00 0.00 H new ATOM 0 HA CYS A 16 -2.479 -2.427 -0.710 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -0.200 -2.610 1.289 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -0.167 -3.097 -0.394 1.00 0.00 H new ATOM 259 N CYS A 17 -2.362 -4.910 0.056 1.00 0.00 N ATOM 260 CA CYS A 17 -2.674 -6.275 0.462 1.00 0.00 C ATOM 261 C CYS A 17 -1.757 -6.777 1.590 1.00 0.00 C ATOM 262 O CYS A 17 -0.739 -6.149 1.917 1.00 0.00 O ATOM 263 CB CYS A 17 -2.602 -7.206 -0.749 1.00 0.00 C ATOM 264 SG CYS A 17 -3.766 -6.774 -2.093 1.00 0.00 S ATOM 0 H CYS A 17 -2.028 -4.828 -0.904 1.00 0.00 H new ATOM 0 HA CYS A 17 -3.688 -6.276 0.861 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -1.586 -7.193 -1.144 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -2.804 -8.226 -0.422 1.00 0.00 H new ATOM 269 N SER A 18 -2.136 -7.874 2.196 1.00 0.00 N ATOM 270 CA SER A 18 -1.366 -8.490 3.241 1.00 0.00 C ATOM 271 C SER A 18 -0.052 -9.042 2.666 1.00 0.00 C ATOM 272 O SER A 18 -0.050 -9.676 1.598 1.00 0.00 O ATOM 273 CB SER A 18 -2.206 -9.598 3.873 1.00 0.00 C ATOM 274 OG SER A 18 -3.448 -9.062 4.341 1.00 0.00 O ATOM 0 H SER A 18 -3.000 -8.369 1.973 1.00 0.00 H new ATOM 0 HA SER A 18 -1.109 -7.759 4.007 1.00 0.00 H new ATOM 0 HB2 SER A 18 -2.392 -10.386 3.143 1.00 0.00 H new ATOM 0 HB3 SER A 18 -1.661 -10.052 4.701 1.00 0.00 H new ATOM 0 HG SER A 18 -3.982 -9.778 4.744 1.00 0.00 H new ATOM 280 N GLY A 19 1.057 -8.753 3.332 1.00 0.00 N ATOM 281 CA GLY A 19 2.362 -9.196 2.860 1.00 0.00 C ATOM 282 C GLY A 19 2.953 -8.180 1.911 1.00 0.00 C ATOM 283 O GLY A 19 4.059 -8.353 1.376 1.00 0.00 O ATOM 0 H GLY A 19 1.080 -8.215 4.198 1.00 0.00 H new ATOM 0 HA2 GLY A 19 3.031 -9.343 3.708 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.266 -10.159 2.358 1.00 0.00 H new ATOM 287 N LEU A 20 2.224 -7.115 1.731 1.00 0.00 N ATOM 288 CA LEU A 20 2.572 -6.047 0.862 1.00 0.00 C ATOM 289 C LEU A 20 2.527 -4.789 1.716 1.00 0.00 C ATOM 290 O LEU A 20 1.800 -4.764 2.714 1.00 0.00 O ATOM 291 CB LEU A 20 1.504 -5.975 -0.217 1.00 0.00 C ATOM 292 CG LEU A 20 1.897 -5.387 -1.541 1.00 0.00 C ATOM 293 CD1 LEU A 20 2.857 -6.318 -2.233 1.00 0.00 C ATOM 294 CD2 LEU A 20 0.681 -5.186 -2.381 1.00 0.00 C ATOM 0 H LEU A 20 1.335 -6.970 2.210 1.00 0.00 H new ATOM 0 HA LEU A 20 3.551 -6.170 0.398 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.135 -6.985 -0.394 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.669 -5.395 0.174 1.00 0.00 H new ATOM 0 HG LEU A 20 2.381 -4.423 -1.386 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.145 -5.894 -3.195 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.745 -6.451 -1.615 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.377 -7.284 -2.391 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.969 -4.759 -3.342 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.188 -6.145 -2.543 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.004 -4.507 -1.873 1.00 0.00 H new ATOM 306 N LYS A 21 3.275 -3.779 1.375 1.00 0.00 N ATOM 307 CA LYS A 21 3.295 -2.584 2.180 1.00 0.00 C ATOM 308 C LYS A 21 3.516 -1.344 1.336 1.00 0.00 C ATOM 309 O LYS A 21 4.269 -1.359 0.361 1.00 0.00 O ATOM 310 CB LYS A 21 4.379 -2.681 3.261 1.00 0.00 C ATOM 311 CG LYS A 21 4.416 -1.492 4.197 1.00 0.00 C ATOM 312 CD LYS A 21 5.532 -1.583 5.208 1.00 0.00 C ATOM 313 CE LYS A 21 5.569 -0.343 6.079 1.00 0.00 C ATOM 314 NZ LYS A 21 5.692 0.893 5.274 1.00 0.00 N ATOM 0 H LYS A 21 3.876 -3.755 0.552 1.00 0.00 H new ATOM 0 HA LYS A 21 2.319 -2.497 2.658 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.216 -3.587 3.845 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.351 -2.783 2.779 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.533 -0.579 3.614 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.463 -1.416 4.720 1.00 0.00 H new ATOM 0 HD2 LYS A 21 5.394 -2.467 5.831 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.486 -1.701 4.694 1.00 0.00 H new ATOM 0 HE2 LYS A 21 4.662 -0.295 6.681 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.408 -0.410 6.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 5.799 1.711 5.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.525 0.823 4.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 4.838 1.015 4.693 1.00 0.00 H new ATOM 328 N CYS A 22 2.849 -0.305 1.714 1.00 0.00 N ATOM 329 CA CYS A 22 2.983 0.997 1.106 1.00 0.00 C ATOM 330 C CYS A 22 4.214 1.675 1.683 1.00 0.00 C ATOM 331 O CYS A 22 4.426 1.652 2.910 1.00 0.00 O ATOM 332 CB CYS A 22 1.731 1.839 1.412 1.00 0.00 C ATOM 333 SG CYS A 22 1.759 3.533 0.735 1.00 0.00 S ATOM 0 H CYS A 22 2.172 -0.329 2.477 1.00 0.00 H new ATOM 0 HA CYS A 22 3.087 0.899 0.025 1.00 0.00 H new ATOM 0 HB2 CYS A 22 0.857 1.320 1.018 1.00 0.00 H new ATOM 0 HB3 CYS A 22 1.606 1.898 2.493 1.00 0.00 H new ATOM 338 N GLY A 23 5.048 2.230 0.831 1.00 0.00 N ATOM 339 CA GLY A 23 6.215 2.910 1.322 1.00 0.00 C ATOM 340 C GLY A 23 5.867 4.272 1.837 1.00 0.00 C ATOM 341 O GLY A 23 5.146 5.016 1.191 1.00 0.00 O ATOM 0 H GLY A 23 4.940 2.223 -0.183 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.674 2.323 2.118 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.952 2.997 0.524 1.00 0.00 H new ATOM 345 N SER A 24 6.409 4.606 2.965 1.00 0.00 N ATOM 346 CA SER A 24 6.115 5.858 3.629 1.00 0.00 C ATOM 347 C SER A 24 6.707 7.045 2.869 1.00 0.00 C ATOM 348 O SER A 24 6.106 8.128 2.795 1.00 0.00 O ATOM 349 CB SER A 24 6.629 5.796 5.060 1.00 0.00 C ATOM 350 OG SER A 24 7.969 5.315 5.091 1.00 0.00 O ATOM 0 H SER A 24 7.076 4.018 3.465 1.00 0.00 H new ATOM 0 HA SER A 24 5.036 6.008 3.647 1.00 0.00 H new ATOM 0 HB2 SER A 24 6.582 6.787 5.512 1.00 0.00 H new ATOM 0 HB3 SER A 24 5.989 5.144 5.654 1.00 0.00 H new ATOM 0 HG SER A 24 8.284 5.283 6.019 1.00 0.00 H new ATOM 356 N ASN A 25 7.857 6.824 2.276 1.00 0.00 N ATOM 357 CA ASN A 25 8.534 7.843 1.485 1.00 0.00 C ATOM 358 C ASN A 25 8.303 7.574 0.015 1.00 0.00 C ATOM 359 O ASN A 25 8.914 8.189 -0.859 1.00 0.00 O ATOM 360 CB ASN A 25 10.044 7.879 1.789 1.00 0.00 C ATOM 361 CG ASN A 25 10.362 8.281 3.221 1.00 0.00 C ATOM 362 OD1 ASN A 25 9.624 9.045 3.857 1.00 0.00 O ATOM 363 ND2 ASN A 25 11.444 7.771 3.747 1.00 0.00 N ATOM 0 H ASN A 25 8.355 5.935 2.324 1.00 0.00 H new ATOM 0 HA ASN A 25 8.121 8.816 1.749 1.00 0.00 H new ATOM 0 HB2 ASN A 25 10.470 6.895 1.592 1.00 0.00 H new ATOM 0 HB3 ASN A 25 10.528 8.578 1.107 1.00 0.00 H new ATOM 0 HD21 ASN A 25 11.701 7.999 4.707 1.00 0.00 H new ATOM 0 HD22 ASN A 25 12.032 7.144 3.197 1.00 0.00 H new ATOM 370 N HIS A 26 7.392 6.677 -0.250 1.00 0.00 N ATOM 371 CA HIS A 26 7.049 6.294 -1.593 1.00 0.00 C ATOM 372 C HIS A 26 5.558 6.483 -1.780 1.00 0.00 C ATOM 373 O HIS A 26 4.901 7.073 -0.919 1.00 0.00 O ATOM 374 CB HIS A 26 7.465 4.833 -1.870 1.00 0.00 C ATOM 375 CG HIS A 26 8.938 4.599 -1.818 1.00 0.00 C ATOM 376 ND1 HIS A 26 9.607 4.049 -0.744 1.00 0.00 N ATOM 377 CD2 HIS A 26 9.868 4.864 -2.738 1.00 0.00 C ATOM 378 CE1 HIS A 26 10.903 4.001 -1.045 1.00 0.00 C ATOM 379 NE2 HIS A 26 11.124 4.489 -2.255 1.00 0.00 N ATOM 0 H HIS A 26 6.861 6.186 0.469 1.00 0.00 H new ATOM 0 HA HIS A 26 7.587 6.920 -2.305 1.00 0.00 H new ATOM 0 HB2 HIS A 26 6.979 4.184 -1.142 1.00 0.00 H new ATOM 0 HB3 HIS A 26 7.096 4.542 -2.853 1.00 0.00 H new ATOM 0 HD2 HIS A 26 9.679 5.301 -3.707 1.00 0.00 H new ATOM 0 HE1 HIS A 26 11.670 3.616 -0.390 1.00 0.00 H new ATOM 0 HE2 HIS A 26 12.021 4.573 -2.733 1.00 0.00 H new ATOM 387 N ASN A 27 5.036 6.041 -2.891 1.00 0.00 N ATOM 388 CA ASN A 27 3.606 6.155 -3.175 1.00 0.00 C ATOM 389 C ASN A 27 3.092 4.906 -3.817 1.00 0.00 C ATOM 390 O ASN A 27 2.058 4.911 -4.484 1.00 0.00 O ATOM 391 CB ASN A 27 3.305 7.358 -4.075 1.00 0.00 C ATOM 392 CG ASN A 27 3.336 8.676 -3.337 1.00 0.00 C ATOM 393 OD1 ASN A 27 4.381 9.329 -3.224 1.00 0.00 O ATOM 394 ND2 ASN A 27 2.204 9.089 -2.843 1.00 0.00 N ATOM 0 H ASN A 27 5.575 5.591 -3.631 1.00 0.00 H new ATOM 0 HA ASN A 27 3.099 6.303 -2.222 1.00 0.00 H new ATOM 0 HB2 ASN A 27 4.031 7.387 -4.887 1.00 0.00 H new ATOM 0 HB3 ASN A 27 2.323 7.227 -4.530 1.00 0.00 H new ATOM 0 HD21 ASN A 27 2.159 9.977 -2.344 1.00 0.00 H new ATOM 0 HD22 ASN A 27 1.362 8.524 -2.955 1.00 0.00 H new ATOM 401 N TRP A 28 3.768 3.822 -3.581 1.00 0.00 N ATOM 402 CA TRP A 28 3.394 2.568 -4.173 1.00 0.00 C ATOM 403 C TRP A 28 3.485 1.408 -3.189 1.00 0.00 C ATOM 404 O TRP A 28 4.247 1.449 -2.202 1.00 0.00 O ATOM 405 CB TRP A 28 4.188 2.277 -5.467 1.00 0.00 C ATOM 406 CG TRP A 28 5.693 2.405 -5.354 1.00 0.00 C ATOM 407 CD1 TRP A 28 6.460 2.165 -4.255 1.00 0.00 C ATOM 408 CD2 TRP A 28 6.612 2.776 -6.392 1.00 0.00 C ATOM 409 NE1 TRP A 28 7.773 2.356 -4.542 1.00 0.00 N ATOM 410 CE2 TRP A 28 7.900 2.730 -5.834 1.00 0.00 C ATOM 411 CE3 TRP A 28 6.476 3.141 -7.733 1.00 0.00 C ATOM 412 CZ2 TRP A 28 9.038 3.027 -6.554 1.00 0.00 C ATOM 413 CZ3 TRP A 28 7.614 3.442 -8.457 1.00 0.00 C ATOM 414 CH2 TRP A 28 8.882 3.382 -7.865 1.00 0.00 C ATOM 0 H TRP A 28 4.589 3.779 -2.977 1.00 0.00 H new ATOM 0 HA TRP A 28 2.344 2.664 -4.451 1.00 0.00 H new ATOM 0 HB2 TRP A 28 3.951 1.266 -5.798 1.00 0.00 H new ATOM 0 HB3 TRP A 28 3.841 2.956 -6.245 1.00 0.00 H new ATOM 0 HD1 TRP A 28 6.078 1.865 -3.291 1.00 0.00 H new ATOM 0 HE1 TRP A 28 8.544 2.236 -3.885 1.00 0.00 H new ATOM 0 HE3 TRP A 28 5.501 3.187 -8.195 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 10.016 2.981 -6.099 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 7.524 3.728 -9.495 1.00 0.00 H new ATOM 0 HH2 TRP A 28 9.754 3.621 -8.456 1.00 0.00 H new ATOM 425 N CYS A 29 2.688 0.419 -3.452 1.00 0.00 N ATOM 426 CA CYS A 29 2.653 -0.801 -2.681 1.00 0.00 C ATOM 427 C CYS A 29 3.764 -1.735 -3.141 1.00 0.00 C ATOM 428 O CYS A 29 3.746 -2.220 -4.280 1.00 0.00 O ATOM 429 CB CYS A 29 1.295 -1.488 -2.864 1.00 0.00 C ATOM 430 SG CYS A 29 -0.144 -0.581 -2.201 1.00 0.00 S ATOM 0 H CYS A 29 2.024 0.431 -4.227 1.00 0.00 H new ATOM 0 HA CYS A 29 2.799 -0.562 -1.627 1.00 0.00 H new ATOM 0 HB2 CYS A 29 1.135 -1.659 -3.929 1.00 0.00 H new ATOM 0 HB3 CYS A 29 1.336 -2.467 -2.387 1.00 0.00 H new ATOM 435 N LYS A 30 4.730 -1.961 -2.287 1.00 0.00 N ATOM 436 CA LYS A 30 5.836 -2.849 -2.582 1.00 0.00 C ATOM 437 C LYS A 30 5.722 -4.066 -1.684 1.00 0.00 C ATOM 438 O LYS A 30 4.823 -4.125 -0.847 1.00 0.00 O ATOM 439 CB LYS A 30 7.183 -2.139 -2.360 1.00 0.00 C ATOM 440 CG LYS A 30 7.395 -0.897 -3.231 1.00 0.00 C ATOM 441 CD LYS A 30 7.468 -1.219 -4.728 1.00 0.00 C ATOM 442 CE LYS A 30 8.740 -1.966 -5.081 1.00 0.00 C ATOM 443 NZ LYS A 30 8.811 -2.297 -6.516 1.00 0.00 N ATOM 0 H LYS A 30 4.776 -1.534 -1.362 1.00 0.00 H new ATOM 0 HA LYS A 30 5.795 -3.152 -3.628 1.00 0.00 H new ATOM 0 HB2 LYS A 30 7.259 -1.850 -1.312 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.989 -2.846 -2.555 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.581 -0.194 -3.056 1.00 0.00 H new ATOM 0 HG3 LYS A 30 8.316 -0.400 -2.927 1.00 0.00 H new ATOM 0 HD2 LYS A 30 6.603 -1.818 -5.014 1.00 0.00 H new ATOM 0 HD3 LYS A 30 7.418 -0.294 -5.302 1.00 0.00 H new ATOM 0 HE2 LYS A 30 9.603 -1.360 -4.806 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.795 -2.883 -4.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 9.807 -2.356 -6.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.345 -3.212 -6.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 8.331 -1.557 -7.067 1.00 0.00 H new ATOM 457 N LEU A 31 6.604 -5.029 -1.843 1.00 0.00 N ATOM 458 CA LEU A 31 6.560 -6.237 -1.029 1.00 0.00 C ATOM 459 C LEU A 31 6.960 -5.892 0.386 1.00 0.00 C ATOM 460 O LEU A 31 7.895 -5.111 0.587 1.00 0.00 O ATOM 461 CB LEU A 31 7.511 -7.311 -1.585 1.00 0.00 C ATOM 462 CG LEU A 31 7.262 -7.780 -3.027 1.00 0.00 C ATOM 463 CD1 LEU A 31 8.324 -8.780 -3.447 1.00 0.00 C ATOM 464 CD2 LEU A 31 5.878 -8.396 -3.172 1.00 0.00 C ATOM 0 H LEU A 31 7.361 -5.005 -2.526 1.00 0.00 H new ATOM 0 HA LEU A 31 5.546 -6.636 -1.048 1.00 0.00 H new ATOM 0 HB2 LEU A 31 8.529 -6.927 -1.524 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.459 -8.182 -0.931 1.00 0.00 H new ATOM 0 HG LEU A 31 7.317 -6.908 -3.678 1.00 0.00 H new ATOM 0 HD11 LEU A 31 8.135 -9.103 -4.471 1.00 0.00 H new ATOM 0 HD12 LEU A 31 9.307 -8.312 -3.390 1.00 0.00 H new ATOM 0 HD13 LEU A 31 8.294 -9.643 -2.782 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.730 -8.719 -4.202 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.790 -9.255 -2.507 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.121 -7.656 -2.911 1.00 0.00 H new ATOM 476 N HIS A 32 6.250 -6.414 1.361 1.00 0.00 N ATOM 477 CA HIS A 32 6.607 -6.165 2.733 1.00 0.00 C ATOM 478 C HIS A 32 7.821 -6.993 3.069 1.00 0.00 C ATOM 479 O HIS A 32 7.732 -8.212 3.251 1.00 0.00 O ATOM 480 CB HIS A 32 5.450 -6.460 3.701 1.00 0.00 C ATOM 481 CG HIS A 32 5.768 -6.166 5.148 1.00 0.00 C ATOM 482 ND1 HIS A 32 5.635 -7.078 6.170 1.00 0.00 N ATOM 483 CD2 HIS A 32 6.200 -5.024 5.725 1.00 0.00 C ATOM 484 CE1 HIS A 32 5.977 -6.479 7.309 1.00 0.00 C ATOM 485 NE2 HIS A 32 6.334 -5.221 7.095 1.00 0.00 N ATOM 0 H HIS A 32 5.431 -7.007 1.229 1.00 0.00 H new ATOM 0 HA HIS A 32 6.834 -5.105 2.850 1.00 0.00 H new ATOM 0 HB2 HIS A 32 4.582 -5.871 3.404 1.00 0.00 H new ATOM 0 HB3 HIS A 32 5.170 -7.509 3.607 1.00 0.00 H new ATOM 0 HD2 HIS A 32 6.409 -4.102 5.204 1.00 0.00 H new ATOM 0 HE1 HIS A 32 5.965 -6.955 8.278 1.00 0.00 H new ATOM 0 HE2 HIS A 32 6.642 -4.540 7.789 1.00 0.00 H new ATOM 493 N LEU A 33 8.936 -6.348 3.047 1.00 0.00 N ATOM 494 CA LEU A 33 10.185 -6.956 3.358 1.00 0.00 C ATOM 495 C LEU A 33 10.623 -6.410 4.690 1.00 0.00 C ATOM 496 O LEU A 33 10.328 -7.027 5.722 1.00 0.00 O ATOM 497 CB LEU A 33 11.225 -6.627 2.272 1.00 0.00 C ATOM 498 CG LEU A 33 10.866 -7.023 0.830 1.00 0.00 C ATOM 499 CD1 LEU A 33 11.950 -6.568 -0.131 1.00 0.00 C ATOM 500 CD2 LEU A 33 10.655 -8.527 0.710 1.00 0.00 C ATOM 501 OXT LEU A 33 11.194 -5.302 4.729 1.00 0.00 O ATOM 0 H LEU A 33 9.007 -5.359 2.807 1.00 0.00 H new ATOM 0 HA LEU A 33 10.088 -8.041 3.400 1.00 0.00 H new ATOM 0 HB2 LEU A 33 11.412 -5.553 2.294 1.00 0.00 H new ATOM 0 HB3 LEU A 33 12.161 -7.119 2.537 1.00 0.00 H new ATOM 0 HG LEU A 33 9.932 -6.526 0.569 1.00 0.00 H new ATOM 0 HD11 LEU A 33 11.680 -6.856 -1.147 1.00 0.00 H new ATOM 0 HD12 LEU A 33 12.053 -5.484 -0.077 1.00 0.00 H new ATOM 0 HD13 LEU A 33 12.896 -7.036 0.140 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.402 -8.778 -0.320 1.00 0.00 H new ATOM 0 HD22 LEU A 33 11.569 -9.047 0.996 1.00 0.00 H new ATOM 0 HD23 LEU A 33 9.842 -8.834 1.368 1.00 0.00 H new TER 513 LEU A 33