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+ -145:sc= 0.537 (180deg=0.173) USER MOD Single : A 4 LYS NZ :NH3+ 174:sc= 0.848 (180deg=0.781) USER MOD Single : A 8 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0233) USER MOD Single : A 10 ASN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 13 ASN : amide:sc= -0.431 K(o=-0.43,f=-1.2) 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+ -166:sc= 0.977 (180deg=0.523) USER MOD Single : A 24 SER OG : rot 180:sc= 0.0384 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 ASN : amide:sc= -0.293 X(o=-0.29,f=0) USER MOD Single : A 30 LYS NZ :NH3+ -171:sc= -0.034 (180deg=-0.167) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -11.033 -3.518 -2.754 1.00 0.00 N ATOM 2 CA ASP A 1 -9.981 -4.547 -2.730 1.00 0.00 C ATOM 3 C ASP A 1 -8.720 -3.937 -2.207 1.00 0.00 C ATOM 4 O ASP A 1 -8.591 -2.711 -2.200 1.00 0.00 O ATOM 5 CB ASP A 1 -9.738 -5.123 -4.135 1.00 0.00 C ATOM 6 CG ASP A 1 -9.263 -4.094 -5.143 1.00 0.00 C ATOM 7 OD1 ASP A 1 -9.983 -3.095 -5.376 1.00 0.00 O ATOM 8 OD2 ASP A 1 -8.218 -4.306 -5.774 1.00 0.00 O ATOM 0 H1 ASP A 1 -11.950 -3.954 -2.528 1.00 0.00 H new ATOM 0 H2 ASP A 1 -10.816 -2.783 -2.050 1.00 0.00 H new ATOM 0 H3 ASP A 1 -11.077 -3.089 -3.700 1.00 0.00 H new ATOM 0 HA ASP A 1 -10.301 -5.364 -2.083 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -8.998 -5.921 -4.068 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -10.662 -5.574 -4.498 1.00 0.00 H new ATOM 15 N CYS A 2 -7.804 -4.762 -1.733 1.00 0.00 N ATOM 16 CA CYS A 2 -6.550 -4.253 -1.237 1.00 0.00 C ATOM 17 C CYS A 2 -5.672 -3.836 -2.392 1.00 0.00 C ATOM 18 O CYS A 2 -5.770 -4.402 -3.507 1.00 0.00 O ATOM 19 CB CYS A 2 -5.833 -5.268 -0.320 1.00 0.00 C ATOM 20 SG CYS A 2 -5.529 -6.922 -1.049 1.00 0.00 S ATOM 0 H CYS A 2 -7.908 -5.776 -1.683 1.00 0.00 H new ATOM 0 HA CYS A 2 -6.760 -3.378 -0.622 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -4.876 -4.843 -0.017 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -6.426 -5.394 0.586 1.00 0.00 H new ATOM 25 N LEU A 3 -4.857 -2.836 -2.152 1.00 0.00 N ATOM 26 CA LEU A 3 -3.974 -2.327 -3.145 1.00 0.00 C ATOM 27 C LEU A 3 -2.909 -3.351 -3.400 1.00 0.00 C ATOM 28 O LEU A 3 -2.253 -3.843 -2.467 1.00 0.00 O ATOM 29 CB LEU A 3 -3.369 -1.008 -2.708 1.00 0.00 C ATOM 30 CG LEU A 3 -4.357 0.075 -2.311 1.00 0.00 C ATOM 31 CD1 LEU A 3 -3.615 1.302 -1.849 1.00 0.00 C ATOM 32 CD2 LEU A 3 -5.276 0.422 -3.462 1.00 0.00 C ATOM 0 H LEU A 3 -4.796 -2.358 -1.253 1.00 0.00 H new ATOM 0 HA LEU A 3 -4.525 -2.135 -4.065 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -2.707 -1.196 -1.863 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -2.749 -0.628 -3.520 1.00 0.00 H new ATOM 0 HG LEU A 3 -4.970 -0.303 -1.493 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -4.330 2.075 -1.566 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -2.994 1.050 -0.989 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -2.983 1.671 -2.657 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -5.973 1.200 -3.150 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -4.685 0.781 -4.304 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -5.834 -0.465 -3.763 1.00 0.00 H new ATOM 44 N LYS A 4 -2.761 -3.673 -4.632 1.00 0.00 N ATOM 45 CA LYS A 4 -1.900 -4.734 -5.066 1.00 0.00 C ATOM 46 C LYS A 4 -0.505 -4.226 -5.380 1.00 0.00 C ATOM 47 O LYS A 4 -0.208 -3.038 -5.190 1.00 0.00 O ATOM 48 CB LYS A 4 -2.548 -5.429 -6.255 1.00 0.00 C ATOM 49 CG LYS A 4 -3.866 -6.085 -5.881 1.00 0.00 C ATOM 50 CD LYS A 4 -4.664 -6.514 -7.090 1.00 0.00 C ATOM 51 CE LYS A 4 -5.918 -7.269 -6.673 1.00 0.00 C ATOM 52 NZ LYS A 4 -6.749 -6.512 -5.702 1.00 0.00 N ATOM 0 H LYS A 4 -3.244 -3.199 -5.395 1.00 0.00 H new ATOM 0 HA LYS A 4 -1.774 -5.459 -4.262 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -2.717 -4.704 -7.051 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -1.867 -6.183 -6.650 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -3.670 -6.954 -5.252 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -4.459 -5.389 -5.287 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -4.940 -5.639 -7.678 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -4.050 -7.147 -7.730 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -6.514 -7.492 -7.558 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -5.632 -8.224 -6.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -7.637 -7.026 -5.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -6.230 -6.409 -4.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -6.963 -5.570 -6.088 1.00 0.00 H new ATOM 66 N PHE A 5 0.348 -5.120 -5.819 1.00 0.00 N ATOM 67 CA PHE A 5 1.735 -4.811 -6.088 1.00 0.00 C ATOM 68 C PHE A 5 1.867 -3.742 -7.161 1.00 0.00 C ATOM 69 O PHE A 5 1.400 -3.908 -8.288 1.00 0.00 O ATOM 70 CB PHE A 5 2.491 -6.084 -6.488 1.00 0.00 C ATOM 71 CG PHE A 5 3.962 -5.888 -6.701 1.00 0.00 C ATOM 72 CD1 PHE A 5 4.813 -5.770 -5.623 1.00 0.00 C ATOM 73 CD2 PHE A 5 4.493 -5.834 -7.980 1.00 0.00 C ATOM 74 CE1 PHE A 5 6.163 -5.602 -5.806 1.00 0.00 C ATOM 75 CE2 PHE A 5 5.846 -5.662 -8.170 1.00 0.00 C ATOM 76 CZ PHE A 5 6.682 -5.547 -7.080 1.00 0.00 C ATOM 0 H PHE A 5 0.098 -6.092 -6.002 1.00 0.00 H new ATOM 0 HA PHE A 5 2.178 -4.413 -5.175 1.00 0.00 H new ATOM 0 HB2 PHE A 5 2.345 -6.837 -5.714 1.00 0.00 H new ATOM 0 HB3 PHE A 5 2.053 -6.480 -7.404 1.00 0.00 H new ATOM 0 HD1 PHE A 5 4.412 -5.810 -4.621 1.00 0.00 H new ATOM 0 HD2 PHE A 5 3.840 -5.928 -8.835 1.00 0.00 H new ATOM 0 HE1 PHE A 5 6.817 -5.513 -4.951 1.00 0.00 H new ATOM 0 HE2 PHE A 5 6.251 -5.617 -9.170 1.00 0.00 H new ATOM 0 HZ PHE A 5 7.744 -5.414 -7.225 1.00 0.00 H new ATOM 86 N GLY A 6 2.467 -2.639 -6.787 1.00 0.00 N ATOM 87 CA GLY A 6 2.686 -1.568 -7.711 1.00 0.00 C ATOM 88 C GLY A 6 1.552 -0.578 -7.725 1.00 0.00 C ATOM 89 O GLY A 6 1.568 0.375 -8.505 1.00 0.00 O ATOM 0 H GLY A 6 2.812 -2.465 -5.843 1.00 0.00 H new ATOM 0 HA2 GLY A 6 3.611 -1.053 -7.452 1.00 0.00 H new ATOM 0 HA3 GLY A 6 2.819 -1.978 -8.712 1.00 0.00 H new ATOM 93 N TRP A 7 0.569 -0.773 -6.869 1.00 0.00 N ATOM 94 CA TRP A 7 -0.544 0.143 -6.837 1.00 0.00 C ATOM 95 C TRP A 7 -0.170 1.386 -6.089 1.00 0.00 C ATOM 96 O TRP A 7 0.478 1.321 -5.042 1.00 0.00 O ATOM 97 CB TRP A 7 -1.813 -0.485 -6.267 1.00 0.00 C ATOM 98 CG TRP A 7 -2.493 -1.460 -7.196 1.00 0.00 C ATOM 99 CD1 TRP A 7 -1.901 -2.293 -8.102 1.00 0.00 C ATOM 100 CD2 TRP A 7 -3.899 -1.711 -7.288 1.00 0.00 C ATOM 101 NE1 TRP A 7 -2.855 -3.029 -8.756 1.00 0.00 N ATOM 102 CE2 TRP A 7 -4.086 -2.697 -8.273 1.00 0.00 C ATOM 103 CE3 TRP A 7 -5.016 -1.196 -6.637 1.00 0.00 C ATOM 104 CZ2 TRP A 7 -5.344 -3.174 -8.618 1.00 0.00 C ATOM 105 CZ3 TRP A 7 -6.261 -1.671 -6.978 1.00 0.00 C ATOM 106 CH2 TRP A 7 -6.417 -2.650 -7.959 1.00 0.00 C ATOM 0 H TRP A 7 0.520 -1.542 -6.201 1.00 0.00 H new ATOM 0 HA TRP A 7 -0.775 0.406 -7.869 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -1.565 -0.999 -5.338 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -2.516 0.309 -6.014 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -0.838 -2.362 -8.277 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -2.673 -3.716 -9.488 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -4.907 -0.436 -5.877 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -5.468 -3.931 -9.379 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -7.134 -1.279 -6.477 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -7.409 -3.001 -8.202 1.00 0.00 H new ATOM 117 N LYS A 8 -0.553 2.503 -6.639 1.00 0.00 N ATOM 118 CA LYS A 8 -0.227 3.789 -6.078 1.00 0.00 C ATOM 119 C LYS A 8 -1.054 4.014 -4.838 1.00 0.00 C ATOM 120 O LYS A 8 -2.292 3.935 -4.877 1.00 0.00 O ATOM 121 CB LYS A 8 -0.459 4.894 -7.110 1.00 0.00 C ATOM 122 CG LYS A 8 0.293 4.671 -8.419 1.00 0.00 C ATOM 123 CD LYS A 8 1.799 4.597 -8.207 1.00 0.00 C ATOM 124 CE LYS A 8 2.534 4.239 -9.495 1.00 0.00 C ATOM 125 NZ LYS A 8 2.373 5.254 -10.550 1.00 0.00 N ATOM 0 H LYS A 8 -1.104 2.550 -7.496 1.00 0.00 H new ATOM 0 HA LYS A 8 0.828 3.813 -5.803 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.526 4.965 -7.321 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -0.154 5.849 -6.683 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.053 3.748 -8.883 1.00 0.00 H new ATOM 0 HG3 LYS A 8 0.064 5.481 -9.111 1.00 0.00 H new ATOM 0 HD2 LYS A 8 2.162 5.556 -7.836 1.00 0.00 H new ATOM 0 HD3 LYS A 8 2.023 3.854 -7.442 1.00 0.00 H new ATOM 0 HE2 LYS A 8 3.595 4.113 -9.279 1.00 0.00 H new ATOM 0 HE3 LYS A 8 2.167 3.280 -9.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 2.948 4.991 -11.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 1.372 5.310 -10.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 2.685 6.179 -10.192 1.00 0.00 H new ATOM 139 N CYS A 9 -0.395 4.289 -3.769 1.00 0.00 N ATOM 140 CA CYS A 9 -1.026 4.395 -2.484 1.00 0.00 C ATOM 141 C CYS A 9 -0.581 5.657 -1.776 1.00 0.00 C ATOM 142 O CYS A 9 0.276 6.399 -2.277 1.00 0.00 O ATOM 143 CB CYS A 9 -0.607 3.189 -1.661 1.00 0.00 C ATOM 144 SG CYS A 9 1.197 3.038 -1.520 1.00 0.00 S ATOM 0 H CYS A 9 0.612 4.451 -3.753 1.00 0.00 H new ATOM 0 HA CYS A 9 -2.108 4.432 -2.607 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.041 3.265 -0.664 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -1.010 2.284 -2.116 1.00 0.00 H new ATOM 149 N ASN A 10 -1.173 5.907 -0.637 1.00 0.00 N ATOM 150 CA ASN A 10 -0.787 7.000 0.212 1.00 0.00 C ATOM 151 C ASN A 10 -0.227 6.394 1.472 1.00 0.00 C ATOM 152 O ASN A 10 -0.924 5.650 2.136 1.00 0.00 O ATOM 153 CB ASN A 10 -1.989 7.900 0.550 1.00 0.00 C ATOM 154 CG ASN A 10 -2.557 8.621 -0.658 1.00 0.00 C ATOM 155 OD1 ASN A 10 -1.835 8.948 -1.602 1.00 0.00 O ATOM 156 ND2 ASN A 10 -3.844 8.866 -0.645 1.00 0.00 N ATOM 0 H ASN A 10 -1.945 5.350 -0.270 1.00 0.00 H new ATOM 0 HA ASN A 10 -0.052 7.627 -0.293 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -2.772 7.293 1.004 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -1.685 8.636 1.294 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -4.280 9.343 -1.434 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -4.410 8.580 0.154 1.00 0.00 H new ATOM 163 N PRO A 11 1.025 6.708 1.834 1.00 0.00 N ATOM 164 CA PRO A 11 1.733 6.078 2.979 1.00 0.00 C ATOM 165 C PRO A 11 1.014 6.266 4.312 1.00 0.00 C ATOM 166 O PRO A 11 1.196 5.485 5.252 1.00 0.00 O ATOM 167 CB PRO A 11 3.084 6.799 3.005 1.00 0.00 C ATOM 168 CG PRO A 11 2.855 8.053 2.237 1.00 0.00 C ATOM 169 CD PRO A 11 1.877 7.698 1.168 1.00 0.00 C ATOM 0 HA PRO A 11 1.802 4.998 2.852 1.00 0.00 H new ATOM 0 HB2 PRO A 11 3.400 7.012 4.026 1.00 0.00 H new ATOM 0 HB3 PRO A 11 3.866 6.192 2.549 1.00 0.00 H new ATOM 0 HG2 PRO A 11 2.463 8.840 2.881 1.00 0.00 H new ATOM 0 HG3 PRO A 11 3.786 8.425 1.809 1.00 0.00 H new ATOM 0 HD2 PRO A 11 1.307 8.565 0.835 1.00 0.00 H new ATOM 0 HD3 PRO A 11 2.370 7.283 0.289 1.00 0.00 H new ATOM 177 N ARG A 12 0.202 7.297 4.383 1.00 0.00 N ATOM 178 CA ARG A 12 -0.562 7.602 5.566 1.00 0.00 C ATOM 179 C ARG A 12 -1.746 6.669 5.725 1.00 0.00 C ATOM 180 O ARG A 12 -2.183 6.402 6.842 1.00 0.00 O ATOM 181 CB ARG A 12 -1.050 9.031 5.534 1.00 0.00 C ATOM 182 CG ARG A 12 0.034 10.069 5.682 1.00 0.00 C ATOM 183 CD ARG A 12 -0.569 11.448 5.700 1.00 0.00 C ATOM 184 NE ARG A 12 0.425 12.499 5.917 1.00 0.00 N ATOM 185 CZ ARG A 12 0.126 13.762 6.238 1.00 0.00 C ATOM 186 NH1 ARG A 12 -1.154 14.137 6.360 1.00 0.00 N ATOM 187 NH2 ARG A 12 1.099 14.644 6.436 1.00 0.00 N ATOM 0 H ARG A 12 0.054 7.951 3.614 1.00 0.00 H new ATOM 0 HA ARG A 12 0.102 7.464 6.419 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -1.572 9.202 4.592 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -1.779 9.170 6.332 1.00 0.00 H new ATOM 0 HG2 ARG A 12 0.591 9.895 6.603 1.00 0.00 H new ATOM 0 HG3 ARG A 12 0.744 9.985 4.859 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -1.081 11.628 4.755 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -1.323 11.500 6.486 1.00 0.00 H new ATOM 0 HE ARG A 12 1.410 12.252 5.817 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -1.901 13.459 6.208 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -1.382 15.101 6.605 1.00 0.00 H new ATOM 0 HH21 ARG A 12 2.074 14.358 6.343 1.00 0.00 H new ATOM 0 HH22 ARG A 12 0.872 15.608 6.681 1.00 0.00 H new ATOM 201 N ASN A 13 -2.255 6.184 4.620 1.00 0.00 N ATOM 202 CA ASN A 13 -3.401 5.293 4.617 1.00 0.00 C ATOM 203 C ASN A 13 -3.071 4.060 3.807 1.00 0.00 C ATOM 204 O ASN A 13 -3.263 4.016 2.579 1.00 0.00 O ATOM 205 CB ASN A 13 -4.663 5.995 4.070 1.00 0.00 C ATOM 206 CG ASN A 13 -5.909 5.113 4.107 1.00 0.00 C ATOM 207 OD1 ASN A 13 -6.224 4.412 3.152 1.00 0.00 O ATOM 208 ND2 ASN A 13 -6.624 5.145 5.203 1.00 0.00 N ATOM 0 H ASN A 13 -1.889 6.393 3.691 1.00 0.00 H new ATOM 0 HA ASN A 13 -3.621 5.001 5.644 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.848 6.898 4.651 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -4.479 6.309 3.043 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -7.468 4.577 5.278 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -6.337 5.738 5.982 1.00 0.00 H new ATOM 215 N ASP A 14 -2.510 3.089 4.476 1.00 0.00 N ATOM 216 CA ASP A 14 -2.086 1.869 3.827 1.00 0.00 C ATOM 217 C ASP A 14 -3.273 0.976 3.624 1.00 0.00 C ATOM 218 O ASP A 14 -4.019 0.679 4.573 1.00 0.00 O ATOM 219 CB ASP A 14 -1.036 1.131 4.658 1.00 0.00 C ATOM 220 CG ASP A 14 -0.425 -0.072 3.938 1.00 0.00 C ATOM 221 OD1 ASP A 14 -1.119 -1.097 3.727 1.00 0.00 O ATOM 222 OD2 ASP A 14 0.775 -0.019 3.589 1.00 0.00 O ATOM 0 H ASP A 14 -2.333 3.116 5.480 1.00 0.00 H new ATOM 0 HA ASP A 14 -1.640 2.131 2.868 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -0.241 1.827 4.926 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.492 0.794 5.589 1.00 0.00 H new ATOM 227 N LYS A 15 -3.484 0.592 2.405 1.00 0.00 N ATOM 228 CA LYS A 15 -4.532 -0.327 2.057 1.00 0.00 C ATOM 229 C LYS A 15 -3.967 -1.419 1.195 1.00 0.00 C ATOM 230 O LYS A 15 -4.695 -2.073 0.457 1.00 0.00 O ATOM 231 CB LYS A 15 -5.689 0.375 1.322 1.00 0.00 C ATOM 232 CG LYS A 15 -6.510 1.358 2.162 1.00 0.00 C ATOM 233 CD LYS A 15 -7.126 0.705 3.414 1.00 0.00 C ATOM 234 CE LYS A 15 -8.086 -0.447 3.089 1.00 0.00 C ATOM 235 NZ LYS A 15 -9.285 -0.015 2.338 1.00 0.00 N ATOM 0 H LYS A 15 -2.929 0.909 1.610 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.936 -0.746 2.979 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.279 0.911 0.466 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.361 -0.388 0.928 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.873 2.188 2.467 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -7.307 1.777 1.547 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.325 0.332 4.052 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -7.661 1.464 3.985 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -7.554 -1.201 2.509 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.400 -0.923 4.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.892 -0.838 2.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.813 0.684 2.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.994 0.414 1.436 1.00 0.00 H new ATOM 249 N CYS A 16 -2.680 -1.657 1.317 1.00 0.00 N ATOM 250 CA CYS A 16 -2.039 -2.653 0.486 1.00 0.00 C ATOM 251 C CYS A 16 -2.341 -4.040 1.040 1.00 0.00 C ATOM 252 O CYS A 16 -2.663 -4.185 2.230 1.00 0.00 O ATOM 253 CB CYS A 16 -0.527 -2.425 0.406 1.00 0.00 C ATOM 254 SG CYS A 16 -0.025 -0.722 -0.049 1.00 0.00 S ATOM 0 H CYS A 16 -2.062 -1.181 1.975 1.00 0.00 H new ATOM 0 HA CYS A 16 -2.435 -2.570 -0.526 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -0.086 -2.672 1.371 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -0.108 -3.118 -0.323 1.00 0.00 H new ATOM 259 N CYS A 17 -2.285 -5.028 0.183 1.00 0.00 N ATOM 260 CA CYS A 17 -2.548 -6.423 0.543 1.00 0.00 C ATOM 261 C CYS A 17 -1.580 -6.957 1.631 1.00 0.00 C ATOM 262 O CYS A 17 -0.604 -6.290 2.011 1.00 0.00 O ATOM 263 CB CYS A 17 -2.501 -7.280 -0.721 1.00 0.00 C ATOM 264 SG CYS A 17 -3.725 -6.779 -1.989 1.00 0.00 S ATOM 0 H CYS A 17 -2.053 -4.898 -0.802 1.00 0.00 H new ATOM 0 HA CYS A 17 -3.542 -6.479 0.986 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -1.501 -7.225 -1.151 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -2.675 -8.322 -0.451 1.00 0.00 H new ATOM 269 N SER A 18 -1.871 -8.125 2.152 1.00 0.00 N ATOM 270 CA SER A 18 -1.070 -8.736 3.186 1.00 0.00 C ATOM 271 C SER A 18 0.284 -9.158 2.622 1.00 0.00 C ATOM 272 O SER A 18 0.352 -9.838 1.600 1.00 0.00 O ATOM 273 CB SER A 18 -1.813 -9.936 3.733 1.00 0.00 C ATOM 274 OG SER A 18 -3.137 -9.570 4.123 1.00 0.00 O ATOM 0 H SER A 18 -2.677 -8.683 1.868 1.00 0.00 H new ATOM 0 HA SER A 18 -0.894 -8.020 3.989 1.00 0.00 H new ATOM 0 HB2 SER A 18 -1.854 -10.721 2.978 1.00 0.00 H new ATOM 0 HB3 SER A 18 -1.276 -10.345 4.589 1.00 0.00 H new ATOM 0 HG SER A 18 -3.604 -10.357 4.473 1.00 0.00 H new ATOM 280 N GLY A 19 1.351 -8.720 3.265 1.00 0.00 N ATOM 281 CA GLY A 19 2.687 -9.028 2.782 1.00 0.00 C ATOM 282 C GLY A 19 3.166 -7.960 1.839 1.00 0.00 C ATOM 283 O GLY A 19 4.247 -8.045 1.262 1.00 0.00 O ATOM 0 H GLY A 19 1.321 -8.156 4.114 1.00 0.00 H new ATOM 0 HA2 GLY A 19 3.374 -9.112 3.624 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.683 -9.993 2.276 1.00 0.00 H new ATOM 287 N LEU A 20 2.353 -6.955 1.691 1.00 0.00 N ATOM 288 CA LEU A 20 2.615 -5.867 0.821 1.00 0.00 C ATOM 289 C LEU A 20 2.495 -4.605 1.665 1.00 0.00 C ATOM 290 O LEU A 20 1.722 -4.589 2.629 1.00 0.00 O ATOM 291 CB LEU A 20 1.537 -5.881 -0.246 1.00 0.00 C ATOM 292 CG LEU A 20 1.893 -5.332 -1.595 1.00 0.00 C ATOM 293 CD1 LEU A 20 2.904 -6.231 -2.258 1.00 0.00 C ATOM 294 CD2 LEU A 20 0.670 -5.237 -2.439 1.00 0.00 C ATOM 0 H LEU A 20 1.467 -6.876 2.190 1.00 0.00 H new ATOM 0 HA LEU A 20 3.598 -5.919 0.352 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.208 -6.912 -0.378 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.683 -5.319 0.131 1.00 0.00 H new ATOM 0 HG LEU A 20 2.322 -4.337 -1.476 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.161 -5.829 -3.238 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.802 -6.286 -1.642 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.482 -7.229 -2.374 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.934 -4.838 -3.418 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.232 -6.228 -2.557 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.052 -4.576 -1.960 1.00 0.00 H new ATOM 306 N LYS A 21 3.238 -3.583 1.361 1.00 0.00 N ATOM 307 CA LYS A 21 3.184 -2.374 2.151 1.00 0.00 C ATOM 308 C LYS A 21 3.407 -1.134 1.309 1.00 0.00 C ATOM 309 O LYS A 21 4.193 -1.139 0.343 1.00 0.00 O ATOM 310 CB LYS A 21 4.206 -2.433 3.291 1.00 0.00 C ATOM 311 CG LYS A 21 4.236 -1.192 4.167 1.00 0.00 C ATOM 312 CD LYS A 21 5.291 -1.273 5.243 1.00 0.00 C ATOM 313 CE LYS A 21 5.452 0.064 5.943 1.00 0.00 C ATOM 314 NZ LYS A 21 5.920 1.121 5.008 1.00 0.00 N ATOM 0 H LYS A 21 3.889 -3.555 0.576 1.00 0.00 H new ATOM 0 HA LYS A 21 2.181 -2.307 2.573 1.00 0.00 H new ATOM 0 HB2 LYS A 21 3.987 -3.299 3.915 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.198 -2.588 2.867 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.421 -0.316 3.545 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.259 -1.053 4.630 1.00 0.00 H new ATOM 0 HD2 LYS A 21 5.018 -2.038 5.970 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.242 -1.575 4.804 1.00 0.00 H new ATOM 0 HE2 LYS A 21 4.500 0.362 6.382 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.163 -0.038 6.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.244 1.946 5.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.706 0.754 4.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 5.138 1.403 4.383 1.00 0.00 H new ATOM 328 N CYS A 22 2.709 -0.097 1.668 1.00 0.00 N ATOM 329 CA CYS A 22 2.851 1.189 1.059 1.00 0.00 C ATOM 330 C CYS A 22 4.022 1.870 1.730 1.00 0.00 C ATOM 331 O CYS A 22 4.107 1.903 2.981 1.00 0.00 O ATOM 332 CB CYS A 22 1.582 2.014 1.258 1.00 0.00 C ATOM 333 SG CYS A 22 1.589 3.594 0.379 1.00 0.00 S ATOM 0 H CYS A 22 2.009 -0.124 2.410 1.00 0.00 H new ATOM 0 HA CYS A 22 3.018 1.091 -0.014 1.00 0.00 H new ATOM 0 HB2 CYS A 22 0.724 1.429 0.926 1.00 0.00 H new ATOM 0 HB3 CYS A 22 1.446 2.203 2.323 1.00 0.00 H new ATOM 338 N GLY A 23 4.927 2.367 0.953 1.00 0.00 N ATOM 339 CA GLY A 23 6.103 2.942 1.506 1.00 0.00 C ATOM 340 C GLY A 23 6.052 4.435 1.597 1.00 0.00 C ATOM 341 O GLY A 23 5.108 5.077 1.143 1.00 0.00 O ATOM 0 H GLY A 23 4.873 2.386 -0.065 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.265 2.531 2.502 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.960 2.652 0.898 1.00 0.00 H new ATOM 345 N SER A 24 7.051 4.982 2.200 1.00 0.00 N ATOM 346 CA SER A 24 7.205 6.397 2.309 1.00 0.00 C ATOM 347 C SER A 24 8.243 6.858 1.294 1.00 0.00 C ATOM 348 O SER A 24 8.207 7.980 0.791 1.00 0.00 O ATOM 349 CB SER A 24 7.634 6.715 3.725 1.00 0.00 C ATOM 350 OG SER A 24 8.679 5.832 4.125 1.00 0.00 O ATOM 0 H SER A 24 7.801 4.449 2.641 1.00 0.00 H new ATOM 0 HA SER A 24 6.271 6.918 2.099 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.975 7.748 3.787 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.785 6.618 4.402 1.00 0.00 H new ATOM 0 HG SER A 24 8.953 6.044 5.042 1.00 0.00 H new ATOM 356 N ASN A 25 9.148 5.958 0.975 1.00 0.00 N ATOM 357 CA ASN A 25 10.188 6.216 0.003 1.00 0.00 C ATOM 358 C ASN A 25 9.616 6.016 -1.385 1.00 0.00 C ATOM 359 O ASN A 25 10.043 6.628 -2.357 1.00 0.00 O ATOM 360 CB ASN A 25 11.344 5.243 0.230 1.00 0.00 C ATOM 361 CG ASN A 25 12.527 5.472 -0.684 1.00 0.00 C ATOM 362 OD1 ASN A 25 12.830 6.601 -1.079 1.00 0.00 O ATOM 363 ND2 ASN A 25 13.211 4.411 -1.016 1.00 0.00 N ATOM 0 H ASN A 25 9.183 5.024 1.384 1.00 0.00 H new ATOM 0 HA ASN A 25 10.555 7.237 0.107 1.00 0.00 H new ATOM 0 HB2 ASN A 25 11.676 5.324 1.265 1.00 0.00 H new ATOM 0 HB3 ASN A 25 10.981 4.225 0.090 1.00 0.00 H new ATOM 0 HD21 ASN A 25 14.027 4.499 -1.622 1.00 0.00 H new ATOM 0 HD22 ASN A 25 12.930 3.494 -0.670 1.00 0.00 H new ATOM 370 N HIS A 26 8.623 5.169 -1.462 1.00 0.00 N ATOM 371 CA HIS A 26 7.989 4.844 -2.710 1.00 0.00 C ATOM 372 C HIS A 26 6.509 5.086 -2.575 1.00 0.00 C ATOM 373 O HIS A 26 5.940 4.806 -1.539 1.00 0.00 O ATOM 374 CB HIS A 26 8.273 3.392 -3.092 1.00 0.00 C ATOM 375 CG HIS A 26 9.717 3.091 -3.262 1.00 0.00 C ATOM 376 ND1 HIS A 26 10.428 2.201 -2.487 1.00 0.00 N ATOM 377 CD2 HIS A 26 10.577 3.586 -4.144 1.00 0.00 C ATOM 378 CE1 HIS A 26 11.685 2.192 -2.925 1.00 0.00 C ATOM 379 NE2 HIS A 26 11.831 3.025 -3.942 1.00 0.00 N ATOM 0 H HIS A 26 8.230 4.683 -0.656 1.00 0.00 H new ATOM 0 HA HIS A 26 8.388 5.476 -3.504 1.00 0.00 H new ATOM 0 HB2 HIS A 26 7.862 2.737 -2.324 1.00 0.00 H new ATOM 0 HB3 HIS A 26 7.751 3.161 -4.021 1.00 0.00 H new ATOM 0 HD2 HIS A 26 10.337 4.315 -4.904 1.00 0.00 H new ATOM 0 HE1 HIS A 26 12.477 1.588 -2.507 1.00 0.00 H new ATOM 0 HE2 HIS A 26 12.685 3.215 -4.467 1.00 0.00 H new ATOM 387 N ASN A 27 5.894 5.574 -3.620 1.00 0.00 N ATOM 388 CA ASN A 27 4.484 5.998 -3.582 1.00 0.00 C ATOM 389 C ASN A 27 3.565 4.867 -4.004 1.00 0.00 C ATOM 390 O ASN A 27 2.414 5.095 -4.434 1.00 0.00 O ATOM 391 CB ASN A 27 4.257 7.199 -4.523 1.00 0.00 C ATOM 392 CG ASN A 27 5.202 8.379 -4.306 1.00 0.00 C ATOM 393 OD1 ASN A 27 5.485 9.133 -5.241 1.00 0.00 O ATOM 394 ND2 ASN A 27 5.702 8.548 -3.110 1.00 0.00 N ATOM 0 H ASN A 27 6.340 5.696 -4.529 1.00 0.00 H new ATOM 0 HA ASN A 27 4.254 6.284 -2.556 1.00 0.00 H new ATOM 0 HB2 ASN A 27 4.357 6.858 -5.553 1.00 0.00 H new ATOM 0 HB3 ASN A 27 3.231 7.548 -4.401 1.00 0.00 H new ATOM 0 HD21 ASN A 27 6.345 9.320 -2.930 1.00 0.00 H new ATOM 0 HD22 ASN A 27 5.450 7.908 -2.357 1.00 0.00 H new ATOM 401 N TRP A 28 4.037 3.668 -3.848 1.00 0.00 N ATOM 402 CA TRP A 28 3.311 2.500 -4.264 1.00 0.00 C ATOM 403 C TRP A 28 3.467 1.337 -3.281 1.00 0.00 C ATOM 404 O TRP A 28 4.355 1.341 -2.404 1.00 0.00 O ATOM 405 CB TRP A 28 3.706 2.058 -5.696 1.00 0.00 C ATOM 406 CG TRP A 28 5.188 1.890 -5.943 1.00 0.00 C ATOM 407 CD1 TRP A 28 6.141 1.547 -5.044 1.00 0.00 C ATOM 408 CD2 TRP A 28 5.860 1.992 -7.198 1.00 0.00 C ATOM 409 NE1 TRP A 28 7.364 1.461 -5.650 1.00 0.00 N ATOM 410 CE2 TRP A 28 7.219 1.720 -6.969 1.00 0.00 C ATOM 411 CE3 TRP A 28 5.449 2.292 -8.486 1.00 0.00 C ATOM 412 CZ2 TRP A 28 8.164 1.736 -7.979 1.00 0.00 C ATOM 413 CZ3 TRP A 28 6.386 2.311 -9.490 1.00 0.00 C ATOM 414 CH2 TRP A 28 7.732 2.033 -9.234 1.00 0.00 C ATOM 0 H TRP A 28 4.943 3.468 -3.426 1.00 0.00 H new ATOM 0 HA TRP A 28 2.258 2.783 -4.273 1.00 0.00 H new ATOM 0 HB2 TRP A 28 3.210 1.112 -5.915 1.00 0.00 H new ATOM 0 HB3 TRP A 28 3.319 2.792 -6.403 1.00 0.00 H new ATOM 0 HD1 TRP A 28 5.960 1.367 -3.995 1.00 0.00 H new ATOM 0 HE1 TRP A 28 8.243 1.238 -5.183 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.412 2.507 -8.697 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 9.203 1.521 -7.779 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 6.077 2.545 -10.498 1.00 0.00 H new ATOM 0 HH2 TRP A 28 8.442 2.054 -10.048 1.00 0.00 H new ATOM 425 N CYS A 29 2.601 0.374 -3.431 1.00 0.00 N ATOM 426 CA CYS A 29 2.606 -0.840 -2.653 1.00 0.00 C ATOM 427 C CYS A 29 3.686 -1.803 -3.160 1.00 0.00 C ATOM 428 O CYS A 29 3.599 -2.305 -4.285 1.00 0.00 O ATOM 429 CB CYS A 29 1.237 -1.517 -2.773 1.00 0.00 C ATOM 430 SG CYS A 29 -0.179 -0.587 -2.079 1.00 0.00 S ATOM 0 H CYS A 29 1.848 0.410 -4.118 1.00 0.00 H new ATOM 0 HA CYS A 29 2.817 -0.590 -1.613 1.00 0.00 H new ATOM 0 HB2 CYS A 29 1.039 -1.708 -3.828 1.00 0.00 H new ATOM 0 HB3 CYS A 29 1.288 -2.486 -2.277 1.00 0.00 H new ATOM 435 N LYS A 30 4.702 -2.036 -2.357 1.00 0.00 N ATOM 436 CA LYS A 30 5.749 -3.002 -2.692 1.00 0.00 C ATOM 437 C LYS A 30 5.701 -4.125 -1.684 1.00 0.00 C ATOM 438 O LYS A 30 4.852 -4.107 -0.788 1.00 0.00 O ATOM 439 CB LYS A 30 7.156 -2.378 -2.688 1.00 0.00 C ATOM 440 CG LYS A 30 7.382 -1.254 -3.678 1.00 0.00 C ATOM 441 CD LYS A 30 7.209 -1.673 -5.147 1.00 0.00 C ATOM 442 CE LYS A 30 8.234 -2.690 -5.615 1.00 0.00 C ATOM 443 NZ LYS A 30 9.625 -2.270 -5.371 1.00 0.00 N ATOM 0 H LYS A 30 4.833 -1.570 -1.459 1.00 0.00 H new ATOM 0 HA LYS A 30 5.561 -3.364 -3.703 1.00 0.00 H new ATOM 0 HB2 LYS A 30 7.363 -2.001 -1.686 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.883 -3.165 -2.889 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.687 -0.444 -3.457 1.00 0.00 H new ATOM 0 HG3 LYS A 30 8.388 -0.858 -3.540 1.00 0.00 H new ATOM 0 HD2 LYS A 30 6.210 -2.088 -5.282 1.00 0.00 H new ATOM 0 HD3 LYS A 30 7.274 -0.787 -5.779 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.054 -3.638 -5.107 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.098 -2.869 -6.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 10.275 -2.929 -5.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 9.769 -1.311 -5.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.814 -2.273 -4.348 1.00 0.00 H new ATOM 457 N LEU A 31 6.607 -5.070 -1.797 1.00 0.00 N ATOM 458 CA LEU A 31 6.639 -6.218 -0.911 1.00 0.00 C ATOM 459 C LEU A 31 7.082 -5.796 0.478 1.00 0.00 C ATOM 460 O LEU A 31 7.812 -4.797 0.640 1.00 0.00 O ATOM 461 CB LEU A 31 7.598 -7.286 -1.455 1.00 0.00 C ATOM 462 CG LEU A 31 7.302 -7.826 -2.860 1.00 0.00 C ATOM 463 CD1 LEU A 31 8.348 -8.846 -3.268 1.00 0.00 C ATOM 464 CD2 LEU A 31 5.911 -8.436 -2.933 1.00 0.00 C ATOM 0 H LEU A 31 7.343 -5.067 -2.504 1.00 0.00 H new ATOM 0 HA LEU A 31 5.635 -6.638 -0.855 1.00 0.00 H new ATOM 0 HB2 LEU A 31 8.606 -6.870 -1.456 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.600 -8.126 -0.761 1.00 0.00 H new ATOM 0 HG LEU A 31 7.339 -6.988 -3.556 1.00 0.00 H new ATOM 0 HD11 LEU A 31 8.123 -9.219 -4.267 1.00 0.00 H new ATOM 0 HD12 LEU A 31 9.332 -8.377 -3.269 1.00 0.00 H new ATOM 0 HD13 LEU A 31 8.342 -9.676 -2.561 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.730 -8.810 -3.941 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.837 -9.259 -2.222 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.168 -7.677 -2.689 1.00 0.00 H new ATOM 476 N HIS A 32 6.630 -6.508 1.470 1.00 0.00 N ATOM 477 CA HIS A 32 7.039 -6.253 2.815 1.00 0.00 C ATOM 478 C HIS A 32 8.128 -7.248 3.165 1.00 0.00 C ATOM 479 O HIS A 32 7.861 -8.387 3.578 1.00 0.00 O ATOM 480 CB HIS A 32 5.858 -6.349 3.783 1.00 0.00 C ATOM 481 CG HIS A 32 6.170 -5.914 5.186 1.00 0.00 C ATOM 482 ND1 HIS A 32 6.276 -6.772 6.255 1.00 0.00 N ATOM 483 CD2 HIS A 32 6.385 -4.676 5.679 1.00 0.00 C ATOM 484 CE1 HIS A 32 6.548 -6.051 7.342 1.00 0.00 C ATOM 485 NE2 HIS A 32 6.625 -4.758 7.047 1.00 0.00 N ATOM 0 H HIS A 32 5.970 -7.279 1.367 1.00 0.00 H new ATOM 0 HA HIS A 32 7.424 -5.237 2.903 1.00 0.00 H new ATOM 0 HB2 HIS A 32 5.039 -5.740 3.400 1.00 0.00 H new ATOM 0 HB3 HIS A 32 5.505 -7.380 3.805 1.00 0.00 H new ATOM 0 HD2 HIS A 32 6.373 -3.764 5.101 1.00 0.00 H new ATOM 0 HE1 HIS A 32 6.687 -6.463 8.331 1.00 0.00 H new ATOM 0 HE2 HIS A 32 6.819 -3.988 7.688 1.00 0.00 H new ATOM 493 N LEU A 33 9.324 -6.846 2.913 1.00 0.00 N ATOM 494 CA LEU A 33 10.484 -7.654 3.125 1.00 0.00 C ATOM 495 C LEU A 33 11.609 -6.735 3.548 1.00 0.00 C ATOM 496 O LEU A 33 12.355 -6.237 2.694 1.00 0.00 O ATOM 497 CB LEU A 33 10.840 -8.416 1.829 1.00 0.00 C ATOM 498 CG LEU A 33 12.027 -9.389 1.899 1.00 0.00 C ATOM 499 CD1 LEU A 33 11.769 -10.489 2.913 1.00 0.00 C ATOM 500 CD2 LEU A 33 12.306 -9.983 0.527 1.00 0.00 C ATOM 501 OXT LEU A 33 11.695 -6.425 4.746 1.00 0.00 O ATOM 0 H LEU A 33 9.534 -5.919 2.543 1.00 0.00 H new ATOM 0 HA LEU A 33 10.306 -8.399 3.901 1.00 0.00 H new ATOM 0 HB2 LEU A 33 9.960 -8.976 1.512 1.00 0.00 H new ATOM 0 HB3 LEU A 33 11.048 -7.682 1.050 1.00 0.00 H new ATOM 0 HG LEU A 33 12.906 -8.831 2.223 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.624 -11.164 2.943 1.00 0.00 H new ATOM 0 HD12 LEU A 33 11.620 -10.048 3.899 1.00 0.00 H new ATOM 0 HD13 LEU A 33 10.877 -11.046 2.626 1.00 0.00 H new ATOM 0 HD21 LEU A 33 13.150 -10.670 0.593 1.00 0.00 H new ATOM 0 HD22 LEU A 33 11.425 -10.522 0.178 1.00 0.00 H new ATOM 0 HD23 LEU A 33 12.544 -9.183 -0.174 1.00 0.00 H new