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+ -116:sc= 0.161 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -166:sc= -0.0143 (180deg=-0.25) USER MOD Single : A 10 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 13 ASN : amide:sc= -0.0281 X(o=-0.028,f=-0.38) 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+ -175:sc= 0.588 (180deg=0.514) USER MOD Single : A 24 SER OG : rot 180:sc= 0.0386 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 ASN : amide:sc= -1.93! C(o=-1.9!,f=-1.8!) USER MOD Single : A 30 LYS NZ :NH3+ -136:sc= -0.469 (180deg=-2.46!) USER MOD Single : A 32 HIS : no HD1:sc= -0.024 X(o=-0.024,f=-0.0093) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -11.330 -3.810 -2.363 1.00 0.00 N ATOM 2 CA ASP A 1 -10.215 -4.757 -2.426 1.00 0.00 C ATOM 3 C ASP A 1 -8.958 -4.094 -1.959 1.00 0.00 C ATOM 4 O ASP A 1 -8.954 -2.892 -1.686 1.00 0.00 O ATOM 5 CB ASP A 1 -10.016 -5.311 -3.846 1.00 0.00 C ATOM 6 CG ASP A 1 -11.053 -6.325 -4.245 1.00 0.00 C ATOM 7 OD1 ASP A 1 -12.208 -5.944 -4.532 1.00 0.00 O ATOM 8 OD2 ASP A 1 -10.732 -7.530 -4.304 1.00 0.00 O ATOM 0 H1 ASP A 1 -12.031 -4.145 -1.672 1.00 0.00 H new ATOM 0 H2 ASP A 1 -10.976 -2.876 -2.072 1.00 0.00 H new ATOM 0 H3 ASP A 1 -11.775 -3.735 -3.300 1.00 0.00 H new ATOM 0 HA ASP A 1 -10.454 -5.596 -1.772 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -10.036 -4.484 -4.556 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -9.028 -5.767 -3.915 1.00 0.00 H new ATOM 15 N CYS A 2 -7.908 -4.858 -1.834 1.00 0.00 N ATOM 16 CA CYS A 2 -6.631 -4.340 -1.423 1.00 0.00 C ATOM 17 C CYS A 2 -5.826 -3.911 -2.628 1.00 0.00 C ATOM 18 O CYS A 2 -6.047 -4.413 -3.750 1.00 0.00 O ATOM 19 CB CYS A 2 -5.864 -5.388 -0.618 1.00 0.00 C ATOM 20 SG CYS A 2 -5.584 -6.976 -1.489 1.00 0.00 S ATOM 0 H CYS A 2 -7.913 -5.862 -2.015 1.00 0.00 H new ATOM 0 HA CYS A 2 -6.798 -3.470 -0.788 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -4.898 -4.971 -0.333 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -6.409 -5.587 0.304 1.00 0.00 H new ATOM 25 N LEU A 3 -4.928 -2.987 -2.415 1.00 0.00 N ATOM 26 CA LEU A 3 -4.061 -2.513 -3.459 1.00 0.00 C ATOM 27 C LEU A 3 -2.924 -3.494 -3.623 1.00 0.00 C ATOM 28 O LEU A 3 -2.331 -3.949 -2.634 1.00 0.00 O ATOM 29 CB LEU A 3 -3.529 -1.130 -3.116 1.00 0.00 C ATOM 30 CG LEU A 3 -4.588 -0.082 -2.812 1.00 0.00 C ATOM 31 CD1 LEU A 3 -3.935 1.202 -2.359 1.00 0.00 C ATOM 32 CD2 LEU A 3 -5.470 0.161 -4.026 1.00 0.00 C ATOM 0 H LEU A 3 -4.777 -2.541 -1.510 1.00 0.00 H new ATOM 0 HA LEU A 3 -4.615 -2.435 -4.395 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -2.869 -1.217 -2.253 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -2.920 -0.776 -3.948 1.00 0.00 H new ATOM 0 HG LEU A 3 -5.221 -0.452 -2.006 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -4.703 1.945 -2.144 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -3.350 1.015 -1.459 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -3.280 1.575 -3.147 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -6.220 0.914 -3.786 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -4.857 0.511 -4.857 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -5.966 -0.768 -4.307 1.00 0.00 H new ATOM 44 N LYS A 4 -2.634 -3.821 -4.843 1.00 0.00 N ATOM 45 CA LYS A 4 -1.639 -4.826 -5.152 1.00 0.00 C ATOM 46 C LYS A 4 -0.274 -4.214 -5.390 1.00 0.00 C ATOM 47 O LYS A 4 -0.103 -3.000 -5.312 1.00 0.00 O ATOM 48 CB LYS A 4 -2.061 -5.646 -6.358 1.00 0.00 C ATOM 49 CG LYS A 4 -3.338 -6.449 -6.146 1.00 0.00 C ATOM 50 CD LYS A 4 -3.702 -7.259 -7.380 1.00 0.00 C ATOM 51 CE LYS A 4 -2.629 -8.287 -7.724 1.00 0.00 C ATOM 52 NZ LYS A 4 -2.949 -9.021 -8.964 1.00 0.00 N ATOM 0 H LYS A 4 -3.076 -3.404 -5.662 1.00 0.00 H new ATOM 0 HA LYS A 4 -1.564 -5.482 -4.285 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -2.201 -4.978 -7.208 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -1.254 -6.330 -6.620 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -3.210 -7.119 -5.295 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -4.157 -5.773 -5.899 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -4.651 -7.768 -7.213 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -3.845 -6.587 -8.226 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -1.668 -7.785 -7.837 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -2.525 -8.993 -6.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -2.196 -9.710 -9.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -3.854 -9.521 -8.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -3.023 -8.350 -9.755 1.00 0.00 H new ATOM 66 N PHE A 5 0.687 -5.063 -5.668 1.00 0.00 N ATOM 67 CA PHE A 5 2.056 -4.662 -5.886 1.00 0.00 C ATOM 68 C PHE A 5 2.158 -3.705 -7.066 1.00 0.00 C ATOM 69 O PHE A 5 1.707 -4.012 -8.172 1.00 0.00 O ATOM 70 CB PHE A 5 2.934 -5.900 -6.105 1.00 0.00 C ATOM 71 CG PHE A 5 4.391 -5.594 -6.279 1.00 0.00 C ATOM 72 CD1 PHE A 5 5.149 -5.179 -5.204 1.00 0.00 C ATOM 73 CD2 PHE A 5 5.002 -5.729 -7.515 1.00 0.00 C ATOM 74 CE1 PHE A 5 6.486 -4.901 -5.348 1.00 0.00 C ATOM 75 CE2 PHE A 5 6.343 -5.450 -7.669 1.00 0.00 C ATOM 76 CZ PHE A 5 7.087 -5.036 -6.584 1.00 0.00 C ATOM 0 H PHE A 5 0.537 -6.068 -5.750 1.00 0.00 H new ATOM 0 HA PHE A 5 2.413 -4.135 -5.001 1.00 0.00 H new ATOM 0 HB2 PHE A 5 2.814 -6.572 -5.255 1.00 0.00 H new ATOM 0 HB3 PHE A 5 2.578 -6.433 -6.986 1.00 0.00 H new ATOM 0 HD1 PHE A 5 4.684 -5.071 -4.235 1.00 0.00 H new ATOM 0 HD2 PHE A 5 4.422 -6.056 -8.366 1.00 0.00 H new ATOM 0 HE1 PHE A 5 7.066 -4.577 -4.497 1.00 0.00 H new ATOM 0 HE2 PHE A 5 6.810 -5.555 -8.637 1.00 0.00 H new ATOM 0 HZ PHE A 5 8.138 -4.818 -6.701 1.00 0.00 H new ATOM 86 N GLY A 6 2.717 -2.543 -6.809 1.00 0.00 N ATOM 87 CA GLY A 6 2.870 -1.554 -7.843 1.00 0.00 C ATOM 88 C GLY A 6 1.666 -0.647 -7.969 1.00 0.00 C ATOM 89 O GLY A 6 1.596 0.181 -8.891 1.00 0.00 O ATOM 0 H GLY A 6 3.071 -2.264 -5.894 1.00 0.00 H new ATOM 0 HA2 GLY A 6 3.754 -0.951 -7.635 1.00 0.00 H new ATOM 0 HA3 GLY A 6 3.043 -2.055 -8.796 1.00 0.00 H new ATOM 93 N TRP A 7 0.709 -0.793 -7.073 1.00 0.00 N ATOM 94 CA TRP A 7 -0.457 0.055 -7.109 1.00 0.00 C ATOM 95 C TRP A 7 -0.202 1.308 -6.297 1.00 0.00 C ATOM 96 O TRP A 7 0.518 1.266 -5.295 1.00 0.00 O ATOM 97 CB TRP A 7 -1.727 -0.671 -6.621 1.00 0.00 C ATOM 98 CG TRP A 7 -2.234 -1.759 -7.551 1.00 0.00 C ATOM 99 CD1 TRP A 7 -1.491 -2.558 -8.370 1.00 0.00 C ATOM 100 CD2 TRP A 7 -3.596 -2.179 -7.720 1.00 0.00 C ATOM 101 NE1 TRP A 7 -2.301 -3.434 -9.049 1.00 0.00 N ATOM 102 CE2 TRP A 7 -3.598 -3.224 -8.667 1.00 0.00 C ATOM 103 CE3 TRP A 7 -4.811 -1.771 -7.167 1.00 0.00 C ATOM 104 CZ2 TRP A 7 -4.766 -3.863 -9.068 1.00 0.00 C ATOM 105 CZ3 TRP A 7 -5.969 -2.409 -7.567 1.00 0.00 C ATOM 106 CH2 TRP A 7 -5.940 -3.443 -8.508 1.00 0.00 C ATOM 0 H TRP A 7 0.718 -1.483 -6.322 1.00 0.00 H new ATOM 0 HA TRP A 7 -0.639 0.329 -8.148 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -1.524 -1.112 -5.645 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -2.518 0.065 -6.480 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -0.417 -2.508 -8.470 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -1.987 -4.128 -9.727 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -4.845 -0.972 -6.441 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -4.746 -4.661 -9.795 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -6.915 -2.103 -7.145 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -6.865 -3.920 -8.798 1.00 0.00 H new ATOM 117 N LYS A 8 -0.746 2.408 -6.758 1.00 0.00 N ATOM 118 CA LYS A 8 -0.607 3.698 -6.100 1.00 0.00 C ATOM 119 C LYS A 8 -1.370 3.690 -4.779 1.00 0.00 C ATOM 120 O LYS A 8 -2.502 3.202 -4.711 1.00 0.00 O ATOM 121 CB LYS A 8 -1.154 4.800 -7.019 1.00 0.00 C ATOM 122 CG LYS A 8 -1.064 6.224 -6.475 1.00 0.00 C ATOM 123 CD LYS A 8 0.376 6.677 -6.308 1.00 0.00 C ATOM 124 CE LYS A 8 0.458 8.116 -5.831 1.00 0.00 C ATOM 125 NZ LYS A 8 -0.100 9.064 -6.827 1.00 0.00 N ATOM 0 H LYS A 8 -1.306 2.440 -7.610 1.00 0.00 H new ATOM 0 HA LYS A 8 0.446 3.891 -5.896 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.615 4.758 -7.966 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -2.199 4.580 -7.237 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.582 6.904 -7.151 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -1.575 6.278 -5.514 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.882 6.027 -5.594 1.00 0.00 H new ATOM 0 HD3 LYS A 8 0.902 6.577 -7.258 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.084 8.218 -4.891 1.00 0.00 H new ATOM 0 HE3 LYS A 8 1.498 8.372 -5.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 0.183 10.034 -6.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.263 8.827 -7.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -1.138 8.996 -6.827 1.00 0.00 H new ATOM 139 N CYS A 9 -0.763 4.227 -3.759 1.00 0.00 N ATOM 140 CA CYS A 9 -1.352 4.255 -2.442 1.00 0.00 C ATOM 141 C CYS A 9 -0.933 5.518 -1.692 1.00 0.00 C ATOM 142 O CYS A 9 -0.209 6.371 -2.240 1.00 0.00 O ATOM 143 CB CYS A 9 -0.901 3.017 -1.675 1.00 0.00 C ATOM 144 SG CYS A 9 0.899 2.821 -1.657 1.00 0.00 S ATOM 0 H CYS A 9 0.159 4.661 -3.813 1.00 0.00 H new ATOM 0 HA CYS A 9 -2.438 4.260 -2.532 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.266 3.077 -0.650 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -1.354 2.132 -2.123 1.00 0.00 H new ATOM 149 N ASN A 10 -1.416 5.652 -0.468 1.00 0.00 N ATOM 150 CA ASN A 10 -1.071 6.752 0.414 1.00 0.00 C ATOM 151 C ASN A 10 -0.136 6.211 1.483 1.00 0.00 C ATOM 152 O ASN A 10 -0.490 5.273 2.175 1.00 0.00 O ATOM 153 CB ASN A 10 -2.334 7.357 1.059 1.00 0.00 C ATOM 154 CG ASN A 10 -3.267 8.029 0.063 1.00 0.00 C ATOM 155 OD1 ASN A 10 -2.831 8.557 -0.966 1.00 0.00 O ATOM 156 ND2 ASN A 10 -4.550 8.013 0.345 1.00 0.00 N ATOM 0 H ASN A 10 -2.070 4.988 -0.053 1.00 0.00 H new ATOM 0 HA ASN A 10 -0.585 7.546 -0.152 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -2.879 6.569 1.579 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -2.033 8.086 1.811 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -5.218 8.445 -0.294 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -4.878 7.569 1.203 1.00 0.00 H new ATOM 163 N PRO A 11 1.052 6.822 1.660 1.00 0.00 N ATOM 164 CA PRO A 11 2.138 6.284 2.514 1.00 0.00 C ATOM 165 C PRO A 11 1.705 5.909 3.932 1.00 0.00 C ATOM 166 O PRO A 11 2.130 4.882 4.469 1.00 0.00 O ATOM 167 CB PRO A 11 3.173 7.420 2.557 1.00 0.00 C ATOM 168 CG PRO A 11 2.452 8.622 2.057 1.00 0.00 C ATOM 169 CD PRO A 11 1.431 8.110 1.084 1.00 0.00 C ATOM 0 HA PRO A 11 2.512 5.348 2.100 1.00 0.00 H new ATOM 0 HB2 PRO A 11 3.545 7.576 3.570 1.00 0.00 H new ATOM 0 HB3 PRO A 11 4.036 7.190 1.933 1.00 0.00 H new ATOM 0 HG2 PRO A 11 1.976 9.161 2.876 1.00 0.00 H new ATOM 0 HG3 PRO A 11 3.139 9.317 1.574 1.00 0.00 H new ATOM 0 HD2 PRO A 11 0.578 8.783 1.002 1.00 0.00 H new ATOM 0 HD3 PRO A 11 1.847 7.999 0.083 1.00 0.00 H new ATOM 177 N ARG A 12 0.868 6.727 4.522 1.00 0.00 N ATOM 178 CA ARG A 12 0.418 6.507 5.876 1.00 0.00 C ATOM 179 C ARG A 12 -0.882 5.726 5.900 1.00 0.00 C ATOM 180 O ARG A 12 -1.177 5.011 6.856 1.00 0.00 O ATOM 181 CB ARG A 12 0.239 7.830 6.592 1.00 0.00 C ATOM 182 CG ARG A 12 1.513 8.667 6.719 1.00 0.00 C ATOM 183 CD ARG A 12 2.622 7.937 7.479 1.00 0.00 C ATOM 184 NE ARG A 12 2.229 7.613 8.851 1.00 0.00 N ATOM 185 CZ ARG A 12 2.981 6.964 9.753 1.00 0.00 C ATOM 186 NH1 ARG A 12 4.217 6.556 9.452 1.00 0.00 N ATOM 187 NH2 ARG A 12 2.490 6.736 10.961 1.00 0.00 N ATOM 0 H ARG A 12 0.481 7.561 4.080 1.00 0.00 H new ATOM 0 HA ARG A 12 1.179 5.921 6.391 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -0.512 8.415 6.062 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -0.153 7.637 7.590 1.00 0.00 H new ATOM 0 HG2 ARG A 12 1.872 8.930 5.724 1.00 0.00 H new ATOM 0 HG3 ARG A 12 1.281 9.601 7.231 1.00 0.00 H new ATOM 0 HD2 ARG A 12 2.880 7.019 6.950 1.00 0.00 H new ATOM 0 HD3 ARG A 12 3.518 8.557 7.496 1.00 0.00 H new ATOM 0 HE ARG A 12 1.299 7.907 9.149 1.00 0.00 H new ATOM 0 HH11 ARG A 12 4.602 6.737 8.525 1.00 0.00 H new ATOM 0 HH12 ARG A 12 4.776 6.064 10.149 1.00 0.00 H new ATOM 0 HH21 ARG A 12 1.550 7.053 11.197 1.00 0.00 H new ATOM 0 HH22 ARG A 12 3.052 6.244 11.655 1.00 0.00 H new ATOM 201 N ASN A 13 -1.637 5.848 4.852 1.00 0.00 N ATOM 202 CA ASN A 13 -2.905 5.144 4.745 1.00 0.00 C ATOM 203 C ASN A 13 -2.734 3.944 3.840 1.00 0.00 C ATOM 204 O ASN A 13 -2.949 4.001 2.617 1.00 0.00 O ATOM 205 CB ASN A 13 -4.055 6.073 4.297 1.00 0.00 C ATOM 206 CG ASN A 13 -5.376 5.342 4.099 1.00 0.00 C ATOM 207 OD1 ASN A 13 -5.719 4.938 2.985 1.00 0.00 O ATOM 208 ND2 ASN A 13 -6.107 5.142 5.166 1.00 0.00 N ATOM 0 H ASN A 13 -1.407 6.430 4.046 1.00 0.00 H new ATOM 0 HA ASN A 13 -3.197 4.789 5.734 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.190 6.858 5.041 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -3.775 6.563 3.364 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -6.991 4.638 5.092 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -5.793 5.490 6.072 1.00 0.00 H new ATOM 215 N ASP A 14 -2.300 2.877 4.439 1.00 0.00 N ATOM 216 CA ASP A 14 -1.921 1.686 3.724 1.00 0.00 C ATOM 217 C ASP A 14 -3.137 0.866 3.414 1.00 0.00 C ATOM 218 O ASP A 14 -3.809 0.372 4.317 1.00 0.00 O ATOM 219 CB ASP A 14 -0.963 0.853 4.569 1.00 0.00 C ATOM 220 CG ASP A 14 -0.309 -0.278 3.804 1.00 0.00 C ATOM 221 OD1 ASP A 14 -1.010 -1.203 3.341 1.00 0.00 O ATOM 222 OD2 ASP A 14 0.939 -0.247 3.666 1.00 0.00 O ATOM 0 H ASP A 14 -2.196 2.803 5.451 1.00 0.00 H new ATOM 0 HA ASP A 14 -1.430 1.979 2.796 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -0.187 1.504 4.973 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.506 0.440 5.419 1.00 0.00 H new ATOM 227 N LYS A 15 -3.442 0.735 2.157 1.00 0.00 N ATOM 228 CA LYS A 15 -4.553 -0.088 1.747 1.00 0.00 C ATOM 229 C LYS A 15 -4.057 -1.221 0.877 1.00 0.00 C ATOM 230 O LYS A 15 -4.831 -1.854 0.150 1.00 0.00 O ATOM 231 CB LYS A 15 -5.628 0.720 1.006 1.00 0.00 C ATOM 232 CG LYS A 15 -6.265 1.865 1.805 1.00 0.00 C ATOM 233 CD LYS A 15 -6.819 1.427 3.167 1.00 0.00 C ATOM 234 CE LYS A 15 -7.825 0.280 3.078 1.00 0.00 C ATOM 235 NZ LYS A 15 -9.023 0.614 2.277 1.00 0.00 N ATOM 0 H LYS A 15 -2.939 1.186 1.393 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.016 -0.492 2.647 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.185 1.135 0.101 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.417 0.038 0.691 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.522 2.648 1.959 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -7.072 2.303 1.217 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.990 1.123 3.806 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -7.296 2.281 3.648 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -7.335 -0.590 2.641 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.136 -0.001 4.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.665 -0.204 2.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.511 1.426 2.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.736 0.855 1.307 1.00 0.00 H new ATOM 249 N CYS A 16 -2.786 -1.515 0.988 1.00 0.00 N ATOM 250 CA CYS A 16 -2.188 -2.570 0.209 1.00 0.00 C ATOM 251 C CYS A 16 -2.597 -3.933 0.793 1.00 0.00 C ATOM 252 O CYS A 16 -3.149 -4.001 1.900 1.00 0.00 O ATOM 253 CB CYS A 16 -0.660 -2.414 0.179 1.00 0.00 C ATOM 254 SG CYS A 16 -0.069 -0.787 -0.438 1.00 0.00 S ATOM 0 H CYS A 16 -2.141 -1.034 1.615 1.00 0.00 H new ATOM 0 HA CYS A 16 -2.546 -2.510 -0.819 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -0.272 -2.569 1.186 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -0.240 -3.200 -0.448 1.00 0.00 H new ATOM 259 N CYS A 17 -2.393 -4.987 0.038 1.00 0.00 N ATOM 260 CA CYS A 17 -2.725 -6.335 0.483 1.00 0.00 C ATOM 261 C CYS A 17 -1.826 -6.795 1.653 1.00 0.00 C ATOM 262 O CYS A 17 -0.842 -6.128 2.008 1.00 0.00 O ATOM 263 CB CYS A 17 -2.625 -7.308 -0.695 1.00 0.00 C ATOM 264 SG CYS A 17 -3.660 -6.859 -2.146 1.00 0.00 S ATOM 0 H CYS A 17 -1.994 -4.943 -0.900 1.00 0.00 H new ATOM 0 HA CYS A 17 -3.750 -6.325 0.855 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -1.584 -7.368 -1.012 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -2.912 -8.302 -0.354 1.00 0.00 H new ATOM 269 N SER A 18 -2.173 -7.917 2.245 1.00 0.00 N ATOM 270 CA SER A 18 -1.434 -8.476 3.347 1.00 0.00 C ATOM 271 C SER A 18 -0.038 -8.913 2.871 1.00 0.00 C ATOM 272 O SER A 18 0.097 -9.600 1.845 1.00 0.00 O ATOM 273 CB SER A 18 -2.219 -9.658 3.953 1.00 0.00 C ATOM 274 OG SER A 18 -1.604 -10.159 5.131 1.00 0.00 O ATOM 0 H SER A 18 -2.985 -8.470 1.969 1.00 0.00 H new ATOM 0 HA SER A 18 -1.304 -7.722 4.124 1.00 0.00 H new ATOM 0 HB2 SER A 18 -3.235 -9.338 4.183 1.00 0.00 H new ATOM 0 HB3 SER A 18 -2.296 -10.458 3.216 1.00 0.00 H new ATOM 0 HG SER A 18 -2.133 -10.905 5.484 1.00 0.00 H new ATOM 280 N GLY A 19 0.987 -8.479 3.585 1.00 0.00 N ATOM 281 CA GLY A 19 2.356 -8.798 3.220 1.00 0.00 C ATOM 282 C GLY A 19 2.906 -7.793 2.233 1.00 0.00 C ATOM 283 O GLY A 19 4.000 -7.956 1.678 1.00 0.00 O ATOM 0 H GLY A 19 0.896 -7.904 4.422 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.980 -8.813 4.114 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.396 -9.797 2.787 1.00 0.00 H new ATOM 287 N LEU A 20 2.152 -6.760 2.013 1.00 0.00 N ATOM 288 CA LEU A 20 2.499 -5.732 1.101 1.00 0.00 C ATOM 289 C LEU A 20 2.380 -4.420 1.865 1.00 0.00 C ATOM 290 O LEU A 20 1.515 -4.303 2.734 1.00 0.00 O ATOM 291 CB LEU A 20 1.492 -5.780 -0.040 1.00 0.00 C ATOM 292 CG LEU A 20 1.934 -5.248 -1.375 1.00 0.00 C ATOM 293 CD1 LEU A 20 3.027 -6.133 -1.928 1.00 0.00 C ATOM 294 CD2 LEU A 20 0.769 -5.224 -2.318 1.00 0.00 C ATOM 0 H LEU A 20 1.257 -6.612 2.479 1.00 0.00 H new ATOM 0 HA LEU A 20 3.505 -5.839 0.696 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.185 -6.817 -0.175 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.607 -5.224 0.268 1.00 0.00 H new ATOM 0 HG LEU A 20 2.316 -4.234 -1.257 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.350 -5.750 -2.896 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.872 -6.140 -1.240 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.648 -7.148 -2.047 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.092 -4.838 -3.285 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.380 -6.235 -2.442 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.013 -4.582 -1.914 1.00 0.00 H new ATOM 306 N LYS A 21 3.224 -3.474 1.589 1.00 0.00 N ATOM 307 CA LYS A 21 3.203 -2.218 2.309 1.00 0.00 C ATOM 308 C LYS A 21 3.367 -1.058 1.363 1.00 0.00 C ATOM 309 O LYS A 21 4.113 -1.137 0.404 1.00 0.00 O ATOM 310 CB LYS A 21 4.315 -2.168 3.367 1.00 0.00 C ATOM 311 CG LYS A 21 4.358 -0.852 4.133 1.00 0.00 C ATOM 312 CD LYS A 21 5.489 -0.775 5.123 1.00 0.00 C ATOM 313 CE LYS A 21 5.453 0.552 5.868 1.00 0.00 C ATOM 314 NZ LYS A 21 5.586 1.728 4.959 1.00 0.00 N ATOM 0 H LYS A 21 3.943 -3.539 0.868 1.00 0.00 H new ATOM 0 HA LYS A 21 2.236 -2.144 2.807 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.173 -2.987 4.072 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.277 -2.329 2.881 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.449 -0.030 3.423 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.414 -0.715 4.660 1.00 0.00 H new ATOM 0 HD2 LYS A 21 5.417 -1.600 5.832 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.442 -0.883 4.605 1.00 0.00 H new ATOM 0 HE2 LYS A 21 4.516 0.629 6.420 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.258 0.573 6.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 5.640 2.599 5.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.451 1.630 4.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 4.760 1.775 4.329 1.00 0.00 H new ATOM 328 N CYS A 22 2.679 -0.008 1.641 1.00 0.00 N ATOM 329 CA CYS A 22 2.776 1.206 0.880 1.00 0.00 C ATOM 330 C CYS A 22 4.075 1.922 1.256 1.00 0.00 C ATOM 331 O CYS A 22 4.393 2.073 2.454 1.00 0.00 O ATOM 332 CB CYS A 22 1.570 2.099 1.164 1.00 0.00 C ATOM 333 SG CYS A 22 1.484 3.574 0.120 1.00 0.00 S ATOM 0 H CYS A 22 2.018 0.042 2.416 1.00 0.00 H new ATOM 0 HA CYS A 22 2.785 0.976 -0.185 1.00 0.00 H new ATOM 0 HB2 CYS A 22 0.659 1.516 1.027 1.00 0.00 H new ATOM 0 HB3 CYS A 22 1.597 2.407 2.209 1.00 0.00 H new ATOM 338 N GLY A 23 4.835 2.312 0.261 1.00 0.00 N ATOM 339 CA GLY A 23 6.099 2.961 0.496 1.00 0.00 C ATOM 340 C GLY A 23 5.964 4.419 0.884 1.00 0.00 C ATOM 341 O GLY A 23 4.997 5.104 0.507 1.00 0.00 O ATOM 0 H GLY A 23 4.597 2.190 -0.723 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.630 2.430 1.286 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.710 2.887 -0.404 1.00 0.00 H new ATOM 345 N SER A 24 6.929 4.899 1.615 1.00 0.00 N ATOM 346 CA SER A 24 6.952 6.253 2.064 1.00 0.00 C ATOM 347 C SER A 24 7.690 7.163 1.069 1.00 0.00 C ATOM 348 O SER A 24 7.281 8.303 0.841 1.00 0.00 O ATOM 349 CB SER A 24 7.559 6.301 3.460 1.00 0.00 C ATOM 350 OG SER A 24 8.724 5.481 3.531 1.00 0.00 O ATOM 0 H SER A 24 7.732 4.348 1.918 1.00 0.00 H new ATOM 0 HA SER A 24 5.933 6.637 2.118 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.816 7.329 3.715 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.826 5.964 4.193 1.00 0.00 H new ATOM 0 HG SER A 24 9.101 5.526 4.434 1.00 0.00 H new ATOM 356 N ASN A 25 8.752 6.648 0.469 1.00 0.00 N ATOM 357 CA ASN A 25 9.520 7.408 -0.520 1.00 0.00 C ATOM 358 C ASN A 25 8.814 7.382 -1.853 1.00 0.00 C ATOM 359 O ASN A 25 8.677 8.405 -2.520 1.00 0.00 O ATOM 360 CB ASN A 25 10.968 6.904 -0.650 1.00 0.00 C ATOM 361 CG ASN A 25 11.815 7.225 0.567 1.00 0.00 C ATOM 362 OD1 ASN A 25 12.434 8.287 0.638 1.00 0.00 O ATOM 363 ND2 ASN A 25 11.858 6.327 1.528 1.00 0.00 N ATOM 0 H ASN A 25 9.106 5.708 0.646 1.00 0.00 H new ATOM 0 HA ASN A 25 9.581 8.439 -0.170 1.00 0.00 H new ATOM 0 HB2 ASN A 25 10.959 5.825 -0.806 1.00 0.00 H new ATOM 0 HB3 ASN A 25 11.425 7.351 -1.533 1.00 0.00 H new ATOM 0 HD21 ASN A 25 12.416 6.501 2.364 1.00 0.00 H new ATOM 0 HD22 ASN A 25 11.333 5.457 1.437 1.00 0.00 H new ATOM 370 N HIS A 26 8.390 6.221 -2.244 1.00 0.00 N ATOM 371 CA HIS A 26 7.551 6.050 -3.401 1.00 0.00 C ATOM 372 C HIS A 26 6.252 5.534 -2.911 1.00 0.00 C ATOM 373 O HIS A 26 6.208 4.479 -2.284 1.00 0.00 O ATOM 374 CB HIS A 26 8.139 5.077 -4.419 1.00 0.00 C ATOM 375 CG HIS A 26 9.260 5.612 -5.228 1.00 0.00 C ATOM 376 ND1 HIS A 26 9.103 6.153 -6.484 1.00 0.00 N ATOM 377 CD2 HIS A 26 10.565 5.658 -4.960 1.00 0.00 C ATOM 378 CE1 HIS A 26 10.301 6.508 -6.933 1.00 0.00 C ATOM 379 NE2 HIS A 26 11.240 6.229 -6.041 1.00 0.00 N ATOM 0 H HIS A 26 8.617 5.349 -1.765 1.00 0.00 H new ATOM 0 HA HIS A 26 7.451 7.005 -3.916 1.00 0.00 H new ATOM 0 HB2 HIS A 26 8.485 4.188 -3.891 1.00 0.00 H new ATOM 0 HB3 HIS A 26 7.345 4.758 -5.094 1.00 0.00 H new ATOM 0 HD2 HIS A 26 11.028 5.308 -4.049 1.00 0.00 H new ATOM 0 HE1 HIS A 26 10.485 6.963 -7.895 1.00 0.00 H new ATOM 0 HE2 HIS A 26 12.243 6.396 -6.126 1.00 0.00 H new ATOM 387 N ASN A 27 5.204 6.259 -3.159 1.00 0.00 N ATOM 388 CA ASN A 27 3.913 5.897 -2.622 1.00 0.00 C ATOM 389 C ASN A 27 3.229 4.878 -3.499 1.00 0.00 C ATOM 390 O ASN A 27 2.323 5.201 -4.282 1.00 0.00 O ATOM 391 CB ASN A 27 3.017 7.124 -2.397 1.00 0.00 C ATOM 392 CG ASN A 27 3.652 8.203 -1.521 1.00 0.00 C ATOM 393 OD1 ASN A 27 3.354 9.393 -1.678 1.00 0.00 O ATOM 394 ND2 ASN A 27 4.500 7.821 -0.590 1.00 0.00 N ATOM 0 H ASN A 27 5.210 7.105 -3.728 1.00 0.00 H new ATOM 0 HA ASN A 27 4.086 5.444 -1.646 1.00 0.00 H new ATOM 0 HB2 ASN A 27 2.763 7.558 -3.364 1.00 0.00 H new ATOM 0 HB3 ASN A 27 2.083 6.800 -1.938 1.00 0.00 H new ATOM 0 HD21 ASN A 27 4.929 8.513 0.024 1.00 0.00 H new ATOM 0 HD22 ASN A 27 4.728 6.833 -0.482 1.00 0.00 H new ATOM 401 N TRP A 28 3.737 3.694 -3.448 1.00 0.00 N ATOM 402 CA TRP A 28 3.191 2.572 -4.138 1.00 0.00 C ATOM 403 C TRP A 28 3.321 1.355 -3.255 1.00 0.00 C ATOM 404 O TRP A 28 4.098 1.365 -2.283 1.00 0.00 O ATOM 405 CB TRP A 28 3.844 2.336 -5.533 1.00 0.00 C ATOM 406 CG TRP A 28 5.361 2.210 -5.562 1.00 0.00 C ATOM 407 CD1 TRP A 28 6.165 1.732 -4.583 1.00 0.00 C ATOM 408 CD2 TRP A 28 6.238 2.526 -6.654 1.00 0.00 C ATOM 409 NE1 TRP A 28 7.465 1.738 -4.978 1.00 0.00 N ATOM 410 CE2 TRP A 28 7.542 2.214 -6.235 1.00 0.00 C ATOM 411 CE3 TRP A 28 6.056 3.041 -7.933 1.00 0.00 C ATOM 412 CZ2 TRP A 28 8.647 2.391 -7.032 1.00 0.00 C ATOM 413 CZ3 TRP A 28 7.170 3.221 -8.738 1.00 0.00 C ATOM 414 CH2 TRP A 28 8.451 2.896 -8.283 1.00 0.00 C ATOM 0 H TRP A 28 4.572 3.471 -2.907 1.00 0.00 H new ATOM 0 HA TRP A 28 2.140 2.774 -4.344 1.00 0.00 H new ATOM 0 HB2 TRP A 28 3.418 1.428 -5.959 1.00 0.00 H new ATOM 0 HB3 TRP A 28 3.558 3.160 -6.187 1.00 0.00 H new ATOM 0 HD1 TRP A 28 5.819 1.392 -3.618 1.00 0.00 H new ATOM 0 HE1 TRP A 28 8.256 1.431 -4.412 1.00 0.00 H new ATOM 0 HE3 TRP A 28 5.069 3.295 -8.291 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 9.636 2.139 -6.680 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 7.046 3.619 -9.734 1.00 0.00 H new ATOM 0 HH2 TRP A 28 9.300 3.047 -8.933 1.00 0.00 H new ATOM 425 N CYS A 29 2.571 0.359 -3.550 1.00 0.00 N ATOM 426 CA CYS A 29 2.605 -0.864 -2.788 1.00 0.00 C ATOM 427 C CYS A 29 3.871 -1.674 -3.098 1.00 0.00 C ATOM 428 O CYS A 29 4.091 -2.117 -4.244 1.00 0.00 O ATOM 429 CB CYS A 29 1.343 -1.678 -3.033 1.00 0.00 C ATOM 430 SG CYS A 29 -0.210 -0.885 -2.472 1.00 0.00 S ATOM 0 H CYS A 29 1.909 0.354 -4.326 1.00 0.00 H new ATOM 0 HA CYS A 29 2.638 -0.609 -1.729 1.00 0.00 H new ATOM 0 HB2 CYS A 29 1.263 -1.884 -4.100 1.00 0.00 H new ATOM 0 HB3 CYS A 29 1.445 -2.639 -2.529 1.00 0.00 H new ATOM 435 N LYS A 30 4.701 -1.817 -2.089 1.00 0.00 N ATOM 436 CA LYS A 30 5.964 -2.528 -2.143 1.00 0.00 C ATOM 437 C LYS A 30 5.832 -3.798 -1.322 1.00 0.00 C ATOM 438 O LYS A 30 4.870 -3.948 -0.569 1.00 0.00 O ATOM 439 CB LYS A 30 7.063 -1.660 -1.515 1.00 0.00 C ATOM 440 CG LYS A 30 7.211 -0.291 -2.144 1.00 0.00 C ATOM 441 CD LYS A 30 8.175 0.649 -1.398 1.00 0.00 C ATOM 442 CE LYS A 30 9.655 0.249 -1.483 1.00 0.00 C ATOM 443 NZ LYS A 30 10.001 -0.945 -0.675 1.00 0.00 N ATOM 0 H LYS A 30 4.508 -1.425 -1.167 1.00 0.00 H new ATOM 0 HA LYS A 30 6.217 -2.758 -3.178 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.851 -1.538 -0.453 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.014 -2.187 -1.592 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.561 -0.411 -3.169 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.230 0.180 -2.195 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.061 1.656 -1.799 1.00 0.00 H new ATOM 0 HD3 LYS A 30 7.883 0.688 -0.349 1.00 0.00 H new ATOM 0 HE2 LYS A 30 9.910 0.057 -2.525 1.00 0.00 H new ATOM 0 HE3 LYS A 30 10.268 1.088 -1.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 10.891 -0.773 -0.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 9.241 -1.133 0.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 10.114 -1.767 -1.302 1.00 0.00 H new ATOM 457 N LEU A 31 6.784 -4.684 -1.441 1.00 0.00 N ATOM 458 CA LEU A 31 6.766 -5.924 -0.696 1.00 0.00 C ATOM 459 C LEU A 31 7.174 -5.657 0.732 1.00 0.00 C ATOM 460 O LEU A 31 8.179 -4.977 0.981 1.00 0.00 O ATOM 461 CB LEU A 31 7.735 -6.931 -1.312 1.00 0.00 C ATOM 462 CG LEU A 31 7.494 -7.307 -2.769 1.00 0.00 C ATOM 463 CD1 LEU A 31 8.574 -8.253 -3.247 1.00 0.00 C ATOM 464 CD2 LEU A 31 6.123 -7.937 -2.944 1.00 0.00 C ATOM 0 H LEU A 31 7.592 -4.572 -2.053 1.00 0.00 H new ATOM 0 HA LEU A 31 5.757 -6.336 -0.727 1.00 0.00 H new ATOM 0 HB2 LEU A 31 8.744 -6.529 -1.227 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.704 -7.843 -0.715 1.00 0.00 H new ATOM 0 HG LEU A 31 7.529 -6.399 -3.370 1.00 0.00 H new ATOM 0 HD11 LEU A 31 8.393 -8.516 -4.289 1.00 0.00 H new ATOM 0 HD12 LEU A 31 9.547 -7.769 -3.159 1.00 0.00 H new ATOM 0 HD13 LEU A 31 8.562 -9.157 -2.638 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.973 -8.197 -3.992 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.056 -8.837 -2.333 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.355 -7.229 -2.633 1.00 0.00 H new ATOM 476 N HIS A 32 6.410 -6.162 1.669 1.00 0.00 N ATOM 477 CA HIS A 32 6.743 -5.992 3.056 1.00 0.00 C ATOM 478 C HIS A 32 7.736 -7.072 3.444 1.00 0.00 C ATOM 479 O HIS A 32 7.368 -8.203 3.801 1.00 0.00 O ATOM 480 CB HIS A 32 5.492 -6.031 3.938 1.00 0.00 C ATOM 481 CG HIS A 32 5.734 -5.705 5.383 1.00 0.00 C ATOM 482 ND1 HIS A 32 5.698 -6.632 6.398 1.00 0.00 N ATOM 483 CD2 HIS A 32 5.995 -4.517 5.973 1.00 0.00 C ATOM 484 CE1 HIS A 32 5.927 -5.998 7.546 1.00 0.00 C ATOM 485 NE2 HIS A 32 6.118 -4.704 7.345 1.00 0.00 N ATOM 0 H HIS A 32 5.556 -6.692 1.494 1.00 0.00 H new ATOM 0 HA HIS A 32 7.195 -5.012 3.209 1.00 0.00 H new ATOM 0 HB2 HIS A 32 4.760 -5.329 3.539 1.00 0.00 H new ATOM 0 HB3 HIS A 32 5.049 -7.025 3.873 1.00 0.00 H new ATOM 0 HD2 HIS A 32 6.093 -3.572 5.460 1.00 0.00 H new ATOM 0 HE1 HIS A 32 5.953 -6.477 8.514 1.00 0.00 H new ATOM 0 HE2 HIS A 32 6.314 -3.993 8.049 1.00 0.00 H new ATOM 493 N LEU A 33 8.972 -6.749 3.263 1.00 0.00 N ATOM 494 CA LEU A 33 10.051 -7.641 3.548 1.00 0.00 C ATOM 495 C LEU A 33 10.749 -7.138 4.783 1.00 0.00 C ATOM 496 O LEU A 33 11.723 -6.381 4.664 1.00 0.00 O ATOM 497 CB LEU A 33 11.029 -7.688 2.360 1.00 0.00 C ATOM 498 CG LEU A 33 10.435 -8.086 0.998 1.00 0.00 C ATOM 499 CD1 LEU A 33 11.501 -8.038 -0.083 1.00 0.00 C ATOM 500 CD2 LEU A 33 9.803 -9.469 1.059 1.00 0.00 C ATOM 501 OXT LEU A 33 10.283 -7.427 5.893 1.00 0.00 O ATOM 0 H LEU A 33 9.269 -5.841 2.906 1.00 0.00 H new ATOM 0 HA LEU A 33 9.677 -8.651 3.712 1.00 0.00 H new ATOM 0 HB2 LEU A 33 11.489 -6.705 2.258 1.00 0.00 H new ATOM 0 HB3 LEU A 33 11.827 -8.390 2.602 1.00 0.00 H new ATOM 0 HG LEU A 33 9.654 -7.368 0.750 1.00 0.00 H new ATOM 0 HD11 LEU A 33 11.062 -8.323 -1.039 1.00 0.00 H new ATOM 0 HD12 LEU A 33 11.902 -7.027 -0.154 1.00 0.00 H new ATOM 0 HD13 LEU A 33 12.305 -8.730 0.168 1.00 0.00 H new ATOM 0 HD21 LEU A 33 9.391 -9.724 0.083 1.00 0.00 H new ATOM 0 HD22 LEU A 33 10.560 -10.203 1.337 1.00 0.00 H new ATOM 0 HD23 LEU A 33 9.005 -9.472 1.801 1.00 0.00 H new TER 513 LEU A 33