USER MOD reduce.3.24.130724 H: found=0, std=0, add=251, rem=0, adj=7 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+ -137:sc= 0.24 (180deg=-0.0176) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -166:sc= 1.22 (180deg=0.918) USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 13 ASN : amide:sc= -1.87! K(o=-1.9!,f=-1.1) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 168:sc= 1.1 (180deg=0.798) USER MOD Single : A 24 SER OG : rot 180:sc= 0.0145 USER MOD Single : A 25 ASN : amide:sc= -0.166 K(o=-0.17,f=-1.1) USER MOD Single : A 26 HIS : no HE2:sc= 1.16 K(o=1.2,f=-3.7!) USER MOD Single : A 27 ASN : amide:sc= -0.605 X(o=-0.6,f=-0.22) USER MOD Single : A 30 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0437) USER MOD Single : A 32 HIS : no HD1:sc=-0.00146 X(o=-0.0015,f=-0.014) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -11.290 -3.789 -0.928 1.00 0.00 N ATOM 2 CA ASP A 1 -10.252 -4.603 -1.544 1.00 0.00 C ATOM 3 C ASP A 1 -8.933 -3.909 -1.404 1.00 0.00 C ATOM 4 O ASP A 1 -8.852 -2.678 -1.485 1.00 0.00 O ATOM 5 CB ASP A 1 -10.568 -4.900 -3.020 1.00 0.00 C ATOM 6 CG ASP A 1 -10.739 -3.658 -3.845 1.00 0.00 C ATOM 7 OD1 ASP A 1 -11.793 -3.017 -3.733 1.00 0.00 O ATOM 8 OD2 ASP A 1 -9.830 -3.308 -4.623 1.00 0.00 O ATOM 0 H1 ASP A 1 -11.926 -4.398 -0.375 1.00 0.00 H new ATOM 0 H2 ASP A 1 -10.852 -3.085 -0.300 1.00 0.00 H new ATOM 0 H3 ASP A 1 -11.834 -3.302 -1.668 1.00 0.00 H new ATOM 0 HA ASP A 1 -10.209 -5.564 -1.031 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -9.765 -5.503 -3.443 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -11.479 -5.496 -3.078 1.00 0.00 H new ATOM 15 N CYS A 2 -7.917 -4.681 -1.156 1.00 0.00 N ATOM 16 CA CYS A 2 -6.593 -4.173 -0.920 1.00 0.00 C ATOM 17 C CYS A 2 -5.922 -3.708 -2.206 1.00 0.00 C ATOM 18 O CYS A 2 -6.256 -4.172 -3.309 1.00 0.00 O ATOM 19 CB CYS A 2 -5.753 -5.242 -0.222 1.00 0.00 C ATOM 20 SG CYS A 2 -5.667 -6.851 -1.102 1.00 0.00 S ATOM 0 H CYS A 2 -7.983 -5.698 -1.111 1.00 0.00 H new ATOM 0 HA CYS A 2 -6.674 -3.298 -0.275 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -4.740 -4.861 -0.092 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -6.160 -5.411 0.775 1.00 0.00 H new ATOM 25 N LEU A 3 -5.010 -2.774 -2.066 1.00 0.00 N ATOM 26 CA LEU A 3 -4.251 -2.272 -3.179 1.00 0.00 C ATOM 27 C LEU A 3 -3.183 -3.293 -3.526 1.00 0.00 C ATOM 28 O LEU A 3 -2.651 -3.984 -2.634 1.00 0.00 O ATOM 29 CB LEU A 3 -3.612 -0.932 -2.838 1.00 0.00 C ATOM 30 CG LEU A 3 -4.551 0.163 -2.355 1.00 0.00 C ATOM 31 CD1 LEU A 3 -3.755 1.392 -1.945 1.00 0.00 C ATOM 32 CD2 LEU A 3 -5.556 0.520 -3.429 1.00 0.00 C ATOM 0 H LEU A 3 -4.776 -2.342 -1.172 1.00 0.00 H new ATOM 0 HA LEU A 3 -4.911 -2.114 -4.032 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -2.858 -1.099 -2.069 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -3.089 -0.568 -3.723 1.00 0.00 H new ATOM 0 HG LEU A 3 -5.097 -0.208 -1.488 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -4.437 2.169 -1.601 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -3.069 1.129 -1.140 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -3.187 1.760 -2.800 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -6.217 1.305 -3.062 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -5.030 0.874 -4.316 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -6.145 -0.361 -3.683 1.00 0.00 H new ATOM 44 N LYS A 4 -2.869 -3.382 -4.782 1.00 0.00 N ATOM 45 CA LYS A 4 -1.997 -4.419 -5.291 1.00 0.00 C ATOM 46 C LYS A 4 -0.556 -3.932 -5.469 1.00 0.00 C ATOM 47 O LYS A 4 -0.211 -2.808 -5.082 1.00 0.00 O ATOM 48 CB LYS A 4 -2.566 -4.929 -6.607 1.00 0.00 C ATOM 49 CG LYS A 4 -3.977 -5.466 -6.483 1.00 0.00 C ATOM 50 CD LYS A 4 -4.489 -5.970 -7.805 1.00 0.00 C ATOM 51 CE LYS A 4 -5.917 -6.448 -7.691 1.00 0.00 C ATOM 52 NZ LYS A 4 -6.418 -7.015 -8.957 1.00 0.00 N ATOM 0 H LYS A 4 -3.208 -2.737 -5.495 1.00 0.00 H new ATOM 0 HA LYS A 4 -1.956 -5.229 -4.562 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -2.556 -4.120 -7.337 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -1.918 -5.716 -6.994 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -3.998 -6.273 -5.751 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -4.636 -4.681 -6.111 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -4.427 -5.176 -8.549 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -3.857 -6.785 -8.156 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -5.985 -7.201 -6.906 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -6.554 -5.616 -7.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -7.401 -7.330 -8.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -6.379 -6.290 -9.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -5.828 -7.826 -9.232 1.00 0.00 H new ATOM 66 N PHE A 5 0.283 -4.789 -6.032 1.00 0.00 N ATOM 67 CA PHE A 5 1.685 -4.486 -6.237 1.00 0.00 C ATOM 68 C PHE A 5 1.836 -3.355 -7.227 1.00 0.00 C ATOM 69 O PHE A 5 1.245 -3.374 -8.309 1.00 0.00 O ATOM 70 CB PHE A 5 2.448 -5.725 -6.731 1.00 0.00 C ATOM 71 CG PHE A 5 3.936 -5.511 -6.876 1.00 0.00 C ATOM 72 CD1 PHE A 5 4.770 -5.690 -5.795 1.00 0.00 C ATOM 73 CD2 PHE A 5 4.493 -5.130 -8.089 1.00 0.00 C ATOM 74 CE1 PHE A 5 6.126 -5.494 -5.910 1.00 0.00 C ATOM 75 CE2 PHE A 5 5.853 -4.933 -8.211 1.00 0.00 C ATOM 76 CZ PHE A 5 6.673 -5.115 -7.119 1.00 0.00 C ATOM 0 H PHE A 5 0.007 -5.715 -6.359 1.00 0.00 H new ATOM 0 HA PHE A 5 2.110 -4.181 -5.281 1.00 0.00 H new ATOM 0 HB2 PHE A 5 2.275 -6.547 -6.036 1.00 0.00 H new ATOM 0 HB3 PHE A 5 2.039 -6.031 -7.694 1.00 0.00 H new ATOM 0 HD1 PHE A 5 4.353 -5.988 -4.844 1.00 0.00 H new ATOM 0 HD2 PHE A 5 3.854 -4.986 -8.948 1.00 0.00 H new ATOM 0 HE1 PHE A 5 6.765 -5.637 -5.051 1.00 0.00 H new ATOM 0 HE2 PHE A 5 6.274 -4.637 -9.160 1.00 0.00 H new ATOM 0 HZ PHE A 5 7.738 -4.962 -7.209 1.00 0.00 H new ATOM 86 N GLY A 6 2.595 -2.365 -6.840 1.00 0.00 N ATOM 87 CA GLY A 6 2.838 -1.238 -7.689 1.00 0.00 C ATOM 88 C GLY A 6 1.763 -0.197 -7.567 1.00 0.00 C ATOM 89 O GLY A 6 1.887 0.903 -8.133 1.00 0.00 O ATOM 0 H GLY A 6 3.058 -2.320 -5.932 1.00 0.00 H new ATOM 0 HA2 GLY A 6 3.801 -0.795 -7.436 1.00 0.00 H new ATOM 0 HA3 GLY A 6 2.903 -1.572 -8.725 1.00 0.00 H new ATOM 93 N TRP A 7 0.727 -0.496 -6.793 1.00 0.00 N ATOM 94 CA TRP A 7 -0.372 0.422 -6.675 1.00 0.00 C ATOM 95 C TRP A 7 0.008 1.565 -5.795 1.00 0.00 C ATOM 96 O TRP A 7 0.783 1.400 -4.837 1.00 0.00 O ATOM 97 CB TRP A 7 -1.676 -0.257 -6.227 1.00 0.00 C ATOM 98 CG TRP A 7 -2.345 -1.077 -7.313 1.00 0.00 C ATOM 99 CD1 TRP A 7 -1.736 -1.788 -8.309 1.00 0.00 C ATOM 100 CD2 TRP A 7 -3.756 -1.278 -7.494 1.00 0.00 C ATOM 101 NE1 TRP A 7 -2.676 -2.403 -9.098 1.00 0.00 N ATOM 102 CE2 TRP A 7 -3.922 -2.110 -8.618 1.00 0.00 C ATOM 103 CE3 TRP A 7 -4.893 -0.835 -6.815 1.00 0.00 C ATOM 104 CZ2 TRP A 7 -5.177 -2.503 -9.076 1.00 0.00 C ATOM 105 CZ3 TRP A 7 -6.136 -1.227 -7.269 1.00 0.00 C ATOM 106 CH2 TRP A 7 -6.270 -2.053 -8.390 1.00 0.00 C ATOM 0 H TRP A 7 0.635 -1.355 -6.250 1.00 0.00 H new ATOM 0 HA TRP A 7 -0.585 0.813 -7.670 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -1.464 -0.904 -5.376 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -2.372 0.507 -5.881 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -0.668 -1.856 -8.454 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -2.477 -2.985 -9.912 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -4.801 -0.196 -5.949 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -5.283 -3.140 -9.942 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -7.021 -0.890 -6.750 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -7.257 -2.341 -8.720 1.00 0.00 H new ATOM 117 N LYS A 8 -0.472 2.720 -6.145 1.00 0.00 N ATOM 118 CA LYS A 8 -0.125 3.915 -5.443 1.00 0.00 C ATOM 119 C LYS A 8 -0.915 3.985 -4.170 1.00 0.00 C ATOM 120 O LYS A 8 -2.142 4.026 -4.181 1.00 0.00 O ATOM 121 CB LYS A 8 -0.329 5.138 -6.331 1.00 0.00 C ATOM 122 CG LYS A 8 0.366 5.009 -7.692 1.00 0.00 C ATOM 123 CD LYS A 8 1.860 4.713 -7.555 1.00 0.00 C ATOM 124 CE LYS A 8 2.516 4.442 -8.910 1.00 0.00 C ATOM 125 NZ LYS A 8 1.941 3.254 -9.603 1.00 0.00 N ATOM 0 H LYS A 8 -1.115 2.859 -6.925 1.00 0.00 H new ATOM 0 HA LYS A 8 0.933 3.901 -5.180 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.396 5.294 -6.487 1.00 0.00 H new ATOM 0 HB3 LYS A 8 0.050 6.021 -5.817 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.109 4.213 -8.266 1.00 0.00 H new ATOM 0 HG3 LYS A 8 0.231 5.932 -8.255 1.00 0.00 H new ATOM 0 HD2 LYS A 8 2.355 5.557 -7.075 1.00 0.00 H new ATOM 0 HD3 LYS A 8 2.001 3.850 -6.905 1.00 0.00 H new ATOM 0 HE2 LYS A 8 2.400 5.319 -9.546 1.00 0.00 H new ATOM 0 HE3 LYS A 8 3.586 4.291 -8.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 2.564 2.974 -10.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 1.857 2.466 -8.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 1.000 3.492 -9.977 1.00 0.00 H new ATOM 139 N CYS A 9 -0.215 3.964 -3.090 1.00 0.00 N ATOM 140 CA CYS A 9 -0.813 3.876 -1.793 1.00 0.00 C ATOM 141 C CYS A 9 -1.293 5.236 -1.328 1.00 0.00 C ATOM 142 O CYS A 9 -0.998 6.277 -1.950 1.00 0.00 O ATOM 143 CB CYS A 9 0.220 3.366 -0.798 1.00 0.00 C ATOM 144 SG CYS A 9 1.524 4.597 -0.420 1.00 0.00 S ATOM 0 H CYS A 9 0.804 4.008 -3.077 1.00 0.00 H new ATOM 0 HA CYS A 9 -1.663 3.196 -1.852 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -0.284 3.084 0.127 1.00 0.00 H new ATOM 0 HB3 CYS A 9 0.685 2.464 -1.196 1.00 0.00 H new ATOM 149 N ASN A 10 -2.022 5.233 -0.250 1.00 0.00 N ATOM 150 CA ASN A 10 -2.425 6.442 0.402 1.00 0.00 C ATOM 151 C ASN A 10 -1.384 6.674 1.471 1.00 0.00 C ATOM 152 O ASN A 10 -1.248 5.846 2.375 1.00 0.00 O ATOM 153 CB ASN A 10 -3.813 6.277 1.048 1.00 0.00 C ATOM 154 CG ASN A 10 -4.881 5.855 0.066 1.00 0.00 C ATOM 155 OD1 ASN A 10 -4.838 6.208 -1.099 1.00 0.00 O ATOM 156 ND2 ASN A 10 -5.833 5.093 0.527 1.00 0.00 N ATOM 0 H ASN A 10 -2.356 4.383 0.204 1.00 0.00 H new ATOM 0 HA ASN A 10 -2.497 7.274 -0.298 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -3.749 5.537 1.846 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -4.106 7.220 1.510 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -6.575 4.772 -0.094 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -5.836 4.818 1.509 1.00 0.00 H new ATOM 163 N PRO A 11 -0.593 7.754 1.374 1.00 0.00 N ATOM 164 CA PRO A 11 0.523 8.017 2.294 1.00 0.00 C ATOM 165 C PRO A 11 0.114 8.005 3.768 1.00 0.00 C ATOM 166 O PRO A 11 0.884 7.588 4.626 1.00 0.00 O ATOM 167 CB PRO A 11 1.045 9.400 1.882 1.00 0.00 C ATOM 168 CG PRO A 11 0.003 9.972 0.983 1.00 0.00 C ATOM 169 CD PRO A 11 -0.707 8.809 0.356 1.00 0.00 C ATOM 0 HA PRO A 11 1.276 7.233 2.218 1.00 0.00 H new ATOM 0 HB2 PRO A 11 1.202 10.035 2.754 1.00 0.00 H new ATOM 0 HB3 PRO A 11 2.004 9.320 1.369 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -0.694 10.595 1.544 1.00 0.00 H new ATOM 0 HG3 PRO A 11 0.455 10.607 0.221 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -1.748 9.045 0.136 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -0.242 8.513 -0.584 1.00 0.00 H new ATOM 177 N ARG A 12 -1.103 8.400 4.047 1.00 0.00 N ATOM 178 CA ARG A 12 -1.584 8.436 5.413 1.00 0.00 C ATOM 179 C ARG A 12 -2.114 7.078 5.867 1.00 0.00 C ATOM 180 O ARG A 12 -1.954 6.697 7.018 1.00 0.00 O ATOM 181 CB ARG A 12 -2.663 9.496 5.574 1.00 0.00 C ATOM 182 CG ARG A 12 -2.192 10.922 5.307 1.00 0.00 C ATOM 183 CD ARG A 12 -1.085 11.345 6.262 1.00 0.00 C ATOM 184 NE ARG A 12 -0.581 12.679 5.948 1.00 0.00 N ATOM 185 CZ ARG A 12 0.474 13.263 6.519 1.00 0.00 C ATOM 186 NH1 ARG A 12 1.100 12.674 7.542 1.00 0.00 N ATOM 187 NH2 ARG A 12 0.881 14.453 6.081 1.00 0.00 N ATOM 0 H ARG A 12 -1.782 8.702 3.349 1.00 0.00 H new ATOM 0 HA ARG A 12 -0.734 8.691 6.046 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.485 9.265 4.897 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -3.060 9.442 6.588 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -1.834 10.999 4.280 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -3.035 11.606 5.403 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -1.461 11.330 7.285 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -0.267 10.626 6.212 1.00 0.00 H new ATOM 0 HE ARG A 12 -1.077 13.209 5.232 1.00 0.00 H new ATOM 0 HH11 ARG A 12 0.772 11.773 7.890 1.00 0.00 H new ATOM 0 HH12 ARG A 12 1.906 13.125 7.975 1.00 0.00 H new ATOM 0 HH21 ARG A 12 0.387 14.911 5.315 1.00 0.00 H new ATOM 0 HH22 ARG A 12 1.687 14.907 6.512 1.00 0.00 H new ATOM 201 N ASN A 13 -2.701 6.345 4.960 1.00 0.00 N ATOM 202 CA ASN A 13 -3.334 5.069 5.304 1.00 0.00 C ATOM 203 C ASN A 13 -3.003 4.009 4.261 1.00 0.00 C ATOM 204 O ASN A 13 -3.497 4.062 3.135 1.00 0.00 O ATOM 205 CB ASN A 13 -4.857 5.260 5.402 1.00 0.00 C ATOM 206 CG ASN A 13 -5.619 4.005 5.806 1.00 0.00 C ATOM 207 OD1 ASN A 13 -5.121 3.151 6.541 1.00 0.00 O ATOM 208 ND2 ASN A 13 -6.837 3.889 5.343 1.00 0.00 N ATOM 0 H ASN A 13 -2.762 6.596 3.973 1.00 0.00 H new ATOM 0 HA ASN A 13 -2.950 4.732 6.267 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -5.067 6.048 6.125 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -5.231 5.604 4.438 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -7.401 3.075 5.589 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -7.223 4.612 4.736 1.00 0.00 H new ATOM 215 N ASP A 14 -2.147 3.077 4.619 1.00 0.00 N ATOM 216 CA ASP A 14 -1.730 2.018 3.699 1.00 0.00 C ATOM 217 C ASP A 14 -2.887 1.052 3.529 1.00 0.00 C ATOM 218 O ASP A 14 -3.482 0.615 4.515 1.00 0.00 O ATOM 219 CB ASP A 14 -0.516 1.271 4.261 1.00 0.00 C ATOM 220 CG ASP A 14 0.161 0.349 3.264 1.00 0.00 C ATOM 221 OD1 ASP A 14 -0.498 -0.556 2.705 1.00 0.00 O ATOM 222 OD2 ASP A 14 1.385 0.524 3.039 1.00 0.00 O ATOM 0 H ASP A 14 -1.719 3.023 5.543 1.00 0.00 H new ATOM 0 HA ASP A 14 -1.452 2.454 2.739 1.00 0.00 H new ATOM 0 HB2 ASP A 14 0.212 2.000 4.618 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -0.831 0.686 5.125 1.00 0.00 H new ATOM 227 N LYS A 15 -3.209 0.717 2.307 1.00 0.00 N ATOM 228 CA LYS A 15 -4.348 -0.139 2.033 1.00 0.00 C ATOM 229 C LYS A 15 -3.949 -1.336 1.202 1.00 0.00 C ATOM 230 O LYS A 15 -4.795 -1.971 0.569 1.00 0.00 O ATOM 231 CB LYS A 15 -5.462 0.650 1.316 1.00 0.00 C ATOM 232 CG LYS A 15 -6.095 1.771 2.139 1.00 0.00 C ATOM 233 CD LYS A 15 -6.736 1.248 3.424 1.00 0.00 C ATOM 234 CE LYS A 15 -7.857 0.260 3.148 1.00 0.00 C ATOM 235 NZ LYS A 15 -8.436 -0.266 4.388 1.00 0.00 N ATOM 0 H LYS A 15 -2.700 1.022 1.478 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.726 -0.497 2.990 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.051 1.079 0.402 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.245 -0.047 1.017 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.335 2.511 2.389 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.849 2.279 1.539 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.974 0.768 4.038 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -7.127 2.087 4.000 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -8.636 0.748 2.562 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -7.475 -0.565 2.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.197 -0.936 4.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -7.699 -0.754 4.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.823 0.518 4.950 1.00 0.00 H new ATOM 249 N CYS A 16 -2.692 -1.672 1.215 1.00 0.00 N ATOM 250 CA CYS A 16 -2.237 -2.775 0.410 1.00 0.00 C ATOM 251 C CYS A 16 -2.436 -4.141 1.063 1.00 0.00 C ATOM 252 O CYS A 16 -2.637 -4.256 2.288 1.00 0.00 O ATOM 253 CB CYS A 16 -0.831 -2.544 -0.124 1.00 0.00 C ATOM 254 SG CYS A 16 -0.807 -1.172 -1.334 1.00 0.00 S ATOM 0 H CYS A 16 -1.970 -1.207 1.765 1.00 0.00 H new ATOM 0 HA CYS A 16 -2.891 -2.807 -0.461 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -0.157 -2.317 0.702 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -0.463 -3.455 -0.595 1.00 0.00 H new ATOM 259 N CYS A 17 -2.433 -5.157 0.216 1.00 0.00 N ATOM 260 CA CYS A 17 -2.696 -6.552 0.582 1.00 0.00 C ATOM 261 C CYS A 17 -1.702 -7.090 1.619 1.00 0.00 C ATOM 262 O CYS A 17 -0.630 -6.535 1.805 1.00 0.00 O ATOM 263 CB CYS A 17 -2.672 -7.409 -0.686 1.00 0.00 C ATOM 264 SG CYS A 17 -3.836 -6.859 -1.992 1.00 0.00 S ATOM 0 H CYS A 17 -2.242 -5.037 -0.779 1.00 0.00 H new ATOM 0 HA CYS A 17 -3.679 -6.600 1.051 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -1.661 -7.407 -1.093 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -2.905 -8.439 -0.418 1.00 0.00 H new ATOM 269 N SER A 18 -2.074 -8.165 2.284 1.00 0.00 N ATOM 270 CA SER A 18 -1.261 -8.785 3.313 1.00 0.00 C ATOM 271 C SER A 18 0.124 -9.186 2.778 1.00 0.00 C ATOM 272 O SER A 18 0.240 -9.895 1.772 1.00 0.00 O ATOM 273 CB SER A 18 -2.008 -9.988 3.852 1.00 0.00 C ATOM 274 OG SER A 18 -3.312 -9.597 4.277 1.00 0.00 O ATOM 0 H SER A 18 -2.962 -8.640 2.123 1.00 0.00 H new ATOM 0 HA SER A 18 -1.086 -8.068 4.115 1.00 0.00 H new ATOM 0 HB2 SER A 18 -2.082 -10.756 3.082 1.00 0.00 H new ATOM 0 HB3 SER A 18 -1.459 -10.424 4.687 1.00 0.00 H new ATOM 0 HG SER A 18 -3.791 -10.379 4.623 1.00 0.00 H new ATOM 280 N GLY A 19 1.154 -8.674 3.422 1.00 0.00 N ATOM 281 CA GLY A 19 2.518 -8.952 3.022 1.00 0.00 C ATOM 282 C GLY A 19 3.053 -7.887 2.091 1.00 0.00 C ATOM 283 O GLY A 19 4.251 -7.831 1.793 1.00 0.00 O ATOM 0 H GLY A 19 1.070 -8.058 4.231 1.00 0.00 H new ATOM 0 HA2 GLY A 19 3.152 -9.014 3.907 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.562 -9.923 2.529 1.00 0.00 H new ATOM 287 N LEU A 20 2.166 -7.037 1.644 1.00 0.00 N ATOM 288 CA LEU A 20 2.476 -5.992 0.734 1.00 0.00 C ATOM 289 C LEU A 20 2.269 -4.667 1.449 1.00 0.00 C ATOM 290 O LEU A 20 1.314 -4.513 2.223 1.00 0.00 O ATOM 291 CB LEU A 20 1.508 -6.084 -0.433 1.00 0.00 C ATOM 292 CG LEU A 20 1.869 -5.315 -1.669 1.00 0.00 C ATOM 293 CD1 LEU A 20 3.081 -5.938 -2.303 1.00 0.00 C ATOM 294 CD2 LEU A 20 0.713 -5.310 -2.629 1.00 0.00 C ATOM 0 H LEU A 20 1.184 -7.063 1.917 1.00 0.00 H new ATOM 0 HA LEU A 20 3.503 -6.070 0.379 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.401 -7.134 -0.705 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.531 -5.742 -0.092 1.00 0.00 H new ATOM 0 HG LEU A 20 2.097 -4.282 -1.405 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.347 -5.382 -3.202 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.914 -5.911 -1.600 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.862 -6.973 -2.567 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.985 -4.749 -3.523 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.465 -6.335 -2.905 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.151 -4.842 -2.156 1.00 0.00 H new ATOM 306 N LYS A 21 3.134 -3.731 1.234 1.00 0.00 N ATOM 307 CA LYS A 21 2.981 -2.449 1.858 1.00 0.00 C ATOM 308 C LYS A 21 3.579 -1.396 0.982 1.00 0.00 C ATOM 309 O LYS A 21 4.428 -1.695 0.126 1.00 0.00 O ATOM 310 CB LYS A 21 3.672 -2.403 3.214 1.00 0.00 C ATOM 311 CG LYS A 21 2.769 -1.962 4.354 1.00 0.00 C ATOM 312 CD LYS A 21 3.560 -1.480 5.556 1.00 0.00 C ATOM 313 CE LYS A 21 4.225 -0.127 5.280 1.00 0.00 C ATOM 314 NZ LYS A 21 3.227 0.945 4.993 1.00 0.00 N ATOM 0 H LYS A 21 3.953 -3.825 0.634 1.00 0.00 H new ATOM 0 HA LYS A 21 1.915 -2.272 2.003 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.070 -3.392 3.441 1.00 0.00 H new ATOM 0 HB3 LYS A 21 4.522 -1.724 3.154 1.00 0.00 H new ATOM 0 HG2 LYS A 21 2.113 -1.163 4.008 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.129 -2.793 4.651 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.899 -1.393 6.418 1.00 0.00 H new ATOM 0 HD3 LYS A 21 4.322 -2.216 5.812 1.00 0.00 H new ATOM 0 HE2 LYS A 21 4.828 0.162 6.141 1.00 0.00 H new ATOM 0 HE3 LYS A 21 4.904 -0.224 4.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 3.698 1.872 5.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 2.811 0.789 4.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.476 0.922 5.712 1.00 0.00 H new ATOM 328 N CYS A 22 3.162 -0.195 1.180 1.00 0.00 N ATOM 329 CA CYS A 22 3.694 0.913 0.468 1.00 0.00 C ATOM 330 C CYS A 22 5.097 1.166 0.966 1.00 0.00 C ATOM 331 O CYS A 22 5.329 1.218 2.184 1.00 0.00 O ATOM 332 CB CYS A 22 2.820 2.129 0.686 1.00 0.00 C ATOM 333 SG CYS A 22 3.242 3.548 -0.359 1.00 0.00 S ATOM 0 H CYS A 22 2.432 0.049 1.850 1.00 0.00 H new ATOM 0 HA CYS A 22 3.719 0.703 -0.601 1.00 0.00 H new ATOM 0 HB2 CYS A 22 1.782 1.853 0.502 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.890 2.429 1.732 1.00 0.00 H new ATOM 338 N GLY A 23 6.025 1.278 0.047 1.00 0.00 N ATOM 339 CA GLY A 23 7.399 1.472 0.405 1.00 0.00 C ATOM 340 C GLY A 23 7.641 2.834 0.985 1.00 0.00 C ATOM 341 O GLY A 23 6.983 3.815 0.601 1.00 0.00 O ATOM 0 H GLY A 23 5.847 1.237 -0.957 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.696 0.712 1.128 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.026 1.336 -0.476 1.00 0.00 H new ATOM 345 N SER A 24 8.553 2.902 1.907 1.00 0.00 N ATOM 346 CA SER A 24 8.902 4.140 2.535 1.00 0.00 C ATOM 347 C SER A 24 9.710 4.991 1.563 1.00 0.00 C ATOM 348 O SER A 24 10.504 4.448 0.761 1.00 0.00 O ATOM 349 CB SER A 24 9.670 3.866 3.826 1.00 0.00 C ATOM 350 OG SER A 24 10.753 2.979 3.589 1.00 0.00 O ATOM 0 H SER A 24 9.078 2.096 2.246 1.00 0.00 H new ATOM 0 HA SER A 24 8.001 4.694 2.799 1.00 0.00 H new ATOM 0 HB2 SER A 24 10.045 4.803 4.238 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.999 3.437 4.570 1.00 0.00 H new ATOM 0 HG SER A 24 11.233 2.818 4.428 1.00 0.00 H new ATOM 356 N ASN A 25 9.440 6.297 1.574 1.00 0.00 N ATOM 357 CA ASN A 25 10.079 7.301 0.694 1.00 0.00 C ATOM 358 C ASN A 25 9.617 7.091 -0.764 1.00 0.00 C ATOM 359 O ASN A 25 10.162 7.646 -1.720 1.00 0.00 O ATOM 360 CB ASN A 25 11.627 7.272 0.826 1.00 0.00 C ATOM 361 CG ASN A 25 12.309 8.455 0.152 1.00 0.00 C ATOM 362 OD1 ASN A 25 11.745 9.545 0.062 1.00 0.00 O ATOM 363 ND2 ASN A 25 13.519 8.264 -0.304 1.00 0.00 N ATOM 0 H ASN A 25 8.754 6.706 2.209 1.00 0.00 H new ATOM 0 HA ASN A 25 9.763 8.295 1.010 1.00 0.00 H new ATOM 0 HB2 ASN A 25 11.895 7.260 1.883 1.00 0.00 H new ATOM 0 HB3 ASN A 25 12.005 6.347 0.391 1.00 0.00 H new ATOM 0 HD21 ASN A 25 14.023 9.031 -0.750 1.00 0.00 H new ATOM 0 HD22 ASN A 25 13.959 7.348 -0.214 1.00 0.00 H new ATOM 370 N HIS A 26 8.574 6.311 -0.900 1.00 0.00 N ATOM 371 CA HIS A 26 7.969 5.987 -2.174 1.00 0.00 C ATOM 372 C HIS A 26 6.482 6.166 -2.035 1.00 0.00 C ATOM 373 O HIS A 26 6.016 6.686 -1.003 1.00 0.00 O ATOM 374 CB HIS A 26 8.283 4.530 -2.582 1.00 0.00 C ATOM 375 CG HIS A 26 9.713 4.271 -2.918 1.00 0.00 C ATOM 376 ND1 HIS A 26 10.705 4.064 -1.989 1.00 0.00 N ATOM 377 CD2 HIS A 26 10.307 4.191 -4.118 1.00 0.00 C ATOM 378 CE1 HIS A 26 11.845 3.869 -2.638 1.00 0.00 C ATOM 379 NE2 HIS A 26 11.663 3.937 -3.947 1.00 0.00 N ATOM 0 H HIS A 26 8.107 5.870 -0.107 1.00 0.00 H new ATOM 0 HA HIS A 26 8.370 6.642 -2.948 1.00 0.00 H new ATOM 0 HB2 HIS A 26 7.990 3.868 -1.767 1.00 0.00 H new ATOM 0 HB3 HIS A 26 7.668 4.268 -3.443 1.00 0.00 H new ATOM 0 HD1 HIS A 26 10.585 4.061 -0.976 1.00 0.00 H new ATOM 0 HD2 HIS A 26 9.809 4.306 -5.069 1.00 0.00 H new ATOM 0 HE1 HIS A 26 12.796 3.680 -2.162 1.00 0.00 H new ATOM 387 N ASN A 27 5.741 5.778 -3.040 1.00 0.00 N ATOM 388 CA ASN A 27 4.297 5.872 -2.993 1.00 0.00 C ATOM 389 C ASN A 27 3.669 4.629 -3.632 1.00 0.00 C ATOM 390 O ASN A 27 2.475 4.577 -3.915 1.00 0.00 O ATOM 391 CB ASN A 27 3.826 7.173 -3.677 1.00 0.00 C ATOM 392 CG ASN A 27 2.337 7.474 -3.511 1.00 0.00 C ATOM 393 OD1 ASN A 27 1.715 8.054 -4.398 1.00 0.00 O ATOM 394 ND2 ASN A 27 1.773 7.150 -2.373 1.00 0.00 N ATOM 0 H ASN A 27 6.112 5.391 -3.908 1.00 0.00 H new ATOM 0 HA ASN A 27 3.968 5.911 -1.954 1.00 0.00 H new ATOM 0 HB2 ASN A 27 4.399 8.008 -3.275 1.00 0.00 H new ATOM 0 HB3 ASN A 27 4.055 7.112 -4.741 1.00 0.00 H new ATOM 0 HD21 ASN A 27 0.793 7.379 -2.206 1.00 0.00 H new ATOM 0 HD22 ASN A 27 2.314 6.669 -1.655 1.00 0.00 H new ATOM 401 N TRP A 28 4.460 3.616 -3.799 1.00 0.00 N ATOM 402 CA TRP A 28 3.969 2.389 -4.384 1.00 0.00 C ATOM 403 C TRP A 28 4.077 1.226 -3.428 1.00 0.00 C ATOM 404 O TRP A 28 4.853 1.258 -2.464 1.00 0.00 O ATOM 405 CB TRP A 28 4.616 2.041 -5.745 1.00 0.00 C ATOM 406 CG TRP A 28 6.125 1.877 -5.762 1.00 0.00 C ATOM 407 CD1 TRP A 28 6.941 1.464 -4.743 1.00 0.00 C ATOM 408 CD2 TRP A 28 6.977 2.036 -6.899 1.00 0.00 C ATOM 409 NE1 TRP A 28 8.231 1.402 -5.168 1.00 0.00 N ATOM 410 CE2 TRP A 28 8.283 1.736 -6.482 1.00 0.00 C ATOM 411 CE3 TRP A 28 6.765 2.415 -8.228 1.00 0.00 C ATOM 412 CZ2 TRP A 28 9.365 1.791 -7.330 1.00 0.00 C ATOM 413 CZ3 TRP A 28 7.851 2.472 -9.080 1.00 0.00 C ATOM 414 CH2 TRP A 28 9.139 2.158 -8.627 1.00 0.00 C ATOM 0 H TRP A 28 5.447 3.605 -3.542 1.00 0.00 H new ATOM 0 HA TRP A 28 2.914 2.575 -4.585 1.00 0.00 H new ATOM 0 HB2 TRP A 28 4.169 1.115 -6.107 1.00 0.00 H new ATOM 0 HB3 TRP A 28 4.351 2.822 -6.457 1.00 0.00 H new ATOM 0 HD1 TRP A 28 6.608 1.222 -3.745 1.00 0.00 H new ATOM 0 HE1 TRP A 28 9.032 1.145 -4.591 1.00 0.00 H new ATOM 0 HE3 TRP A 28 5.774 2.658 -8.581 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 10.359 1.552 -6.983 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 7.705 2.763 -10.110 1.00 0.00 H new ATOM 0 HH2 TRP A 28 9.969 2.207 -9.316 1.00 0.00 H new ATOM 425 N CYS A 29 3.329 0.219 -3.705 1.00 0.00 N ATOM 426 CA CYS A 29 3.309 -0.969 -2.904 1.00 0.00 C ATOM 427 C CYS A 29 4.211 -2.074 -3.410 1.00 0.00 C ATOM 428 O CYS A 29 4.031 -2.595 -4.505 1.00 0.00 O ATOM 429 CB CYS A 29 1.882 -1.421 -2.696 1.00 0.00 C ATOM 430 SG CYS A 29 1.065 -0.475 -1.373 1.00 0.00 S ATOM 0 H CYS A 29 2.700 0.189 -4.507 1.00 0.00 H new ATOM 0 HA CYS A 29 3.738 -0.712 -1.935 1.00 0.00 H new ATOM 0 HB2 CYS A 29 1.324 -1.305 -3.625 1.00 0.00 H new ATOM 0 HB3 CYS A 29 1.869 -2.482 -2.447 1.00 0.00 H new ATOM 435 N LYS A 30 5.191 -2.405 -2.594 1.00 0.00 N ATOM 436 CA LYS A 30 6.142 -3.471 -2.853 1.00 0.00 C ATOM 437 C LYS A 30 6.107 -4.450 -1.689 1.00 0.00 C ATOM 438 O LYS A 30 5.426 -4.186 -0.684 1.00 0.00 O ATOM 439 CB LYS A 30 7.562 -2.915 -3.028 1.00 0.00 C ATOM 440 CG LYS A 30 7.776 -2.098 -4.294 1.00 0.00 C ATOM 441 CD LYS A 30 9.208 -1.583 -4.407 1.00 0.00 C ATOM 442 CE LYS A 30 10.251 -2.693 -4.519 1.00 0.00 C ATOM 443 NZ LYS A 30 10.052 -3.556 -5.704 1.00 0.00 N ATOM 0 H LYS A 30 5.354 -1.928 -1.707 1.00 0.00 H new ATOM 0 HA LYS A 30 5.866 -3.976 -3.779 1.00 0.00 H new ATOM 0 HB2 LYS A 30 7.802 -2.293 -2.166 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.266 -3.747 -3.026 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.541 -2.710 -5.165 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.086 -1.254 -4.302 1.00 0.00 H new ATOM 0 HD2 LYS A 30 9.284 -0.935 -5.280 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.434 -0.970 -3.535 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.245 -2.247 -4.564 1.00 0.00 H new ATOM 0 HE3 LYS A 30 10.218 -3.307 -3.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 10.844 -4.225 -5.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 9.162 -4.084 -5.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 10.010 -2.966 -6.560 1.00 0.00 H new ATOM 457 N LEU A 31 6.818 -5.561 -1.806 1.00 0.00 N ATOM 458 CA LEU A 31 6.829 -6.581 -0.752 1.00 0.00 C ATOM 459 C LEU A 31 7.374 -6.037 0.559 1.00 0.00 C ATOM 460 O LEU A 31 8.334 -5.240 0.583 1.00 0.00 O ATOM 461 CB LEU A 31 7.580 -7.867 -1.169 1.00 0.00 C ATOM 462 CG LEU A 31 6.869 -8.827 -2.155 1.00 0.00 C ATOM 463 CD1 LEU A 31 5.502 -9.233 -1.638 1.00 0.00 C ATOM 464 CD2 LEU A 31 6.767 -8.250 -3.557 1.00 0.00 C ATOM 0 H LEU A 31 7.396 -5.785 -2.616 1.00 0.00 H new ATOM 0 HA LEU A 31 5.786 -6.857 -0.595 1.00 0.00 H new ATOM 0 HB2 LEU A 31 8.530 -7.571 -1.615 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.813 -8.428 -0.264 1.00 0.00 H new ATOM 0 HG LEU A 31 7.490 -9.720 -2.222 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.028 -9.907 -2.352 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.611 -9.739 -0.679 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.883 -8.345 -1.511 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.261 -8.963 -4.208 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.200 -7.320 -3.527 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.767 -8.053 -3.943 1.00 0.00 H new ATOM 476 N HIS A 32 6.745 -6.426 1.632 1.00 0.00 N ATOM 477 CA HIS A 32 7.108 -5.965 2.939 1.00 0.00 C ATOM 478 C HIS A 32 7.646 -7.128 3.752 1.00 0.00 C ATOM 479 O HIS A 32 7.179 -8.265 3.615 1.00 0.00 O ATOM 480 CB HIS A 32 5.882 -5.340 3.619 1.00 0.00 C ATOM 481 CG HIS A 32 6.159 -4.657 4.931 1.00 0.00 C ATOM 482 ND1 HIS A 32 5.584 -5.018 6.126 1.00 0.00 N ATOM 483 CD2 HIS A 32 6.938 -3.585 5.204 1.00 0.00 C ATOM 484 CE1 HIS A 32 6.014 -4.175 7.067 1.00 0.00 C ATOM 485 NE2 HIS A 32 6.845 -3.279 6.557 1.00 0.00 N ATOM 0 H HIS A 32 5.960 -7.077 1.622 1.00 0.00 H new ATOM 0 HA HIS A 32 7.886 -5.205 2.865 1.00 0.00 H new ATOM 0 HB2 HIS A 32 5.437 -4.616 2.937 1.00 0.00 H new ATOM 0 HB3 HIS A 32 5.139 -6.121 3.783 1.00 0.00 H new ATOM 0 HD2 HIS A 32 7.539 -3.050 4.483 1.00 0.00 H new ATOM 0 HE1 HIS A 32 5.723 -4.218 8.106 1.00 0.00 H new ATOM 0 HE2 HIS A 32 7.318 -2.523 7.053 1.00 0.00 H new ATOM 493 N LEU A 33 8.635 -6.854 4.548 1.00 0.00 N ATOM 494 CA LEU A 33 9.245 -7.834 5.400 1.00 0.00 C ATOM 495 C LEU A 33 9.237 -7.287 6.808 1.00 0.00 C ATOM 496 O LEU A 33 8.343 -7.652 7.595 1.00 0.00 O ATOM 497 CB LEU A 33 10.692 -8.125 4.951 1.00 0.00 C ATOM 498 CG LEU A 33 10.878 -8.684 3.531 1.00 0.00 C ATOM 499 CD1 LEU A 33 12.356 -8.816 3.204 1.00 0.00 C ATOM 500 CD2 LEU A 33 10.186 -10.035 3.383 1.00 0.00 C ATOM 501 OXT LEU A 33 10.089 -6.420 7.111 1.00 0.00 O ATOM 0 H LEU A 33 9.050 -5.925 4.626 1.00 0.00 H new ATOM 0 HA LEU A 33 8.690 -8.771 5.348 1.00 0.00 H new ATOM 0 HB2 LEU A 33 11.265 -7.201 5.030 1.00 0.00 H new ATOM 0 HB3 LEU A 33 11.130 -8.833 5.655 1.00 0.00 H new ATOM 0 HG LEU A 33 10.422 -7.985 2.830 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.471 -9.213 2.195 1.00 0.00 H new ATOM 0 HD12 LEU A 33 12.831 -7.837 3.265 1.00 0.00 H new ATOM 0 HD13 LEU A 33 12.827 -9.493 3.917 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.332 -10.410 2.370 1.00 0.00 H new ATOM 0 HD22 LEU A 33 10.611 -10.742 4.096 1.00 0.00 H new ATOM 0 HD23 LEU A 33 9.120 -9.921 3.577 1.00 0.00 H new TER 513 LEU A 33