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+ -131:sc= 0.19 (180deg=-0.00577) USER MOD Single : A 4 LYS NZ :NH3+ 175:sc=-0.00664 (180deg=-0.071) USER MOD Single : A 8 LYS NZ :NH3+ -167:sc= 1.01 (180deg=0.736) USER MOD Single : A 10 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 13 ASN : amide:sc= -0.0181 K(o=-0.018,f=-0.56) 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+ 163:sc= -0.058 (180deg=-0.391) USER MOD Single : A 24 SER OG : rot 180:sc= 0.0187 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=-0.22) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 174:sc= -0.0108 (180deg=-0.0722) USER MOD Single : A 32 HIS : no HD1:sc= -0.275 X(o=-0.28,f=-0.0039) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -11.277 -4.800 -1.638 1.00 0.00 N ATOM 2 CA ASP A 1 -10.087 -5.467 -2.168 1.00 0.00 C ATOM 3 C ASP A 1 -8.887 -4.573 -1.976 1.00 0.00 C ATOM 4 O ASP A 1 -9.012 -3.347 -2.005 1.00 0.00 O ATOM 5 CB ASP A 1 -10.263 -5.842 -3.651 1.00 0.00 C ATOM 6 CG ASP A 1 -10.540 -4.657 -4.537 1.00 0.00 C ATOM 7 OD1 ASP A 1 -11.670 -4.135 -4.497 1.00 0.00 O ATOM 8 OD2 ASP A 1 -9.645 -4.224 -5.282 1.00 0.00 O ATOM 0 H1 ASP A 1 -11.795 -5.455 -1.019 1.00 0.00 H new ATOM 0 H2 ASP A 1 -10.991 -3.961 -1.093 1.00 0.00 H new ATOM 0 H3 ASP A 1 -11.891 -4.509 -2.425 1.00 0.00 H new ATOM 0 HA ASP A 1 -9.934 -6.397 -1.621 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -9.361 -6.345 -4.001 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -11.082 -6.555 -3.743 1.00 0.00 H new ATOM 15 N CYS A 2 -7.744 -5.174 -1.769 1.00 0.00 N ATOM 16 CA CYS A 2 -6.517 -4.456 -1.464 1.00 0.00 C ATOM 17 C CYS A 2 -5.799 -3.970 -2.709 1.00 0.00 C ATOM 18 O CYS A 2 -6.140 -4.352 -3.835 1.00 0.00 O ATOM 19 CB CYS A 2 -5.605 -5.355 -0.645 1.00 0.00 C ATOM 20 SG CYS A 2 -5.368 -7.022 -1.364 1.00 0.00 S ATOM 0 H CYS A 2 -7.630 -6.187 -1.806 1.00 0.00 H new ATOM 0 HA CYS A 2 -6.784 -3.567 -0.893 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -4.633 -4.873 -0.542 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -6.018 -5.458 0.358 1.00 0.00 H new ATOM 25 N LEU A 3 -4.844 -3.093 -2.509 1.00 0.00 N ATOM 26 CA LEU A 3 -4.021 -2.607 -3.584 1.00 0.00 C ATOM 27 C LEU A 3 -2.906 -3.598 -3.815 1.00 0.00 C ATOM 28 O LEU A 3 -2.317 -4.118 -2.853 1.00 0.00 O ATOM 29 CB LEU A 3 -3.436 -1.244 -3.245 1.00 0.00 C ATOM 30 CG LEU A 3 -4.433 -0.149 -2.902 1.00 0.00 C ATOM 31 CD1 LEU A 3 -3.697 1.094 -2.445 1.00 0.00 C ATOM 32 CD2 LEU A 3 -5.321 0.165 -4.094 1.00 0.00 C ATOM 0 H LEU A 3 -4.618 -2.698 -1.596 1.00 0.00 H new ATOM 0 HA LEU A 3 -4.627 -2.499 -4.483 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -2.756 -1.364 -2.402 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -2.837 -0.908 -4.092 1.00 0.00 H new ATOM 0 HG LEU A 3 -5.071 -0.500 -2.091 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -4.418 1.874 -2.201 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -3.102 0.861 -1.562 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -3.041 1.442 -3.243 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -6.026 0.951 -3.825 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -4.705 0.500 -4.928 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -5.870 -0.731 -4.385 1.00 0.00 H new ATOM 44 N LYS A 4 -2.627 -3.858 -5.058 1.00 0.00 N ATOM 45 CA LYS A 4 -1.636 -4.840 -5.449 1.00 0.00 C ATOM 46 C LYS A 4 -0.253 -4.224 -5.584 1.00 0.00 C ATOM 47 O LYS A 4 -0.064 -3.035 -5.335 1.00 0.00 O ATOM 48 CB LYS A 4 -2.043 -5.498 -6.756 1.00 0.00 C ATOM 49 CG LYS A 4 -3.307 -6.336 -6.656 1.00 0.00 C ATOM 50 CD LYS A 4 -3.688 -6.943 -7.998 1.00 0.00 C ATOM 51 CE LYS A 4 -2.584 -7.829 -8.572 1.00 0.00 C ATOM 52 NZ LYS A 4 -2.212 -8.938 -7.672 1.00 0.00 N ATOM 0 H LYS A 4 -3.081 -3.394 -5.844 1.00 0.00 H new ATOM 0 HA LYS A 4 -1.587 -5.593 -4.662 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -2.190 -4.725 -7.510 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -1.226 -6.131 -7.103 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -3.159 -7.132 -5.926 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -4.126 -5.717 -6.291 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -4.598 -7.531 -7.882 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -3.913 -6.144 -8.704 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -2.913 -8.238 -9.527 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -1.703 -7.219 -8.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -1.521 -9.554 -8.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -1.792 -8.553 -6.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -3.060 -9.490 -7.432 1.00 0.00 H new ATOM 66 N PHE A 5 0.705 -5.036 -5.978 1.00 0.00 N ATOM 67 CA PHE A 5 2.080 -4.599 -6.117 1.00 0.00 C ATOM 68 C PHE A 5 2.196 -3.545 -7.209 1.00 0.00 C ATOM 69 O PHE A 5 1.724 -3.743 -8.334 1.00 0.00 O ATOM 70 CB PHE A 5 2.997 -5.791 -6.416 1.00 0.00 C ATOM 71 CG PHE A 5 4.458 -5.433 -6.468 1.00 0.00 C ATOM 72 CD1 PHE A 5 5.174 -5.276 -5.303 1.00 0.00 C ATOM 73 CD2 PHE A 5 5.112 -5.258 -7.678 1.00 0.00 C ATOM 74 CE1 PHE A 5 6.508 -4.952 -5.331 1.00 0.00 C ATOM 75 CE2 PHE A 5 6.452 -4.931 -7.713 1.00 0.00 C ATOM 76 CZ PHE A 5 7.151 -4.779 -6.534 1.00 0.00 C ATOM 0 H PHE A 5 0.554 -6.017 -6.211 1.00 0.00 H new ATOM 0 HA PHE A 5 2.397 -4.153 -5.174 1.00 0.00 H new ATOM 0 HB2 PHE A 5 2.846 -6.554 -5.653 1.00 0.00 H new ATOM 0 HB3 PHE A 5 2.706 -6.232 -7.370 1.00 0.00 H new ATOM 0 HD1 PHE A 5 4.679 -5.410 -4.352 1.00 0.00 H new ATOM 0 HD2 PHE A 5 4.567 -5.379 -8.603 1.00 0.00 H new ATOM 0 HE1 PHE A 5 7.053 -4.833 -4.406 1.00 0.00 H new ATOM 0 HE2 PHE A 5 6.952 -4.795 -8.661 1.00 0.00 H new ATOM 0 HZ PHE A 5 8.200 -4.525 -6.556 1.00 0.00 H new ATOM 86 N GLY A 6 2.776 -2.422 -6.862 1.00 0.00 N ATOM 87 CA GLY A 6 2.961 -1.357 -7.809 1.00 0.00 C ATOM 88 C GLY A 6 1.782 -0.418 -7.844 1.00 0.00 C ATOM 89 O GLY A 6 1.822 0.630 -8.527 1.00 0.00 O ATOM 0 H GLY A 6 3.129 -2.224 -5.925 1.00 0.00 H new ATOM 0 HA2 GLY A 6 3.861 -0.798 -7.554 1.00 0.00 H new ATOM 0 HA3 GLY A 6 3.118 -1.779 -8.802 1.00 0.00 H new ATOM 93 N TRP A 7 0.737 -0.752 -7.098 1.00 0.00 N ATOM 94 CA TRP A 7 -0.447 0.069 -7.082 1.00 0.00 C ATOM 95 C TRP A 7 -0.202 1.260 -6.202 1.00 0.00 C ATOM 96 O TRP A 7 0.491 1.157 -5.188 1.00 0.00 O ATOM 97 CB TRP A 7 -1.698 -0.722 -6.664 1.00 0.00 C ATOM 98 CG TRP A 7 -2.184 -1.704 -7.714 1.00 0.00 C ATOM 99 CD1 TRP A 7 -1.426 -2.384 -8.629 1.00 0.00 C ATOM 100 CD2 TRP A 7 -3.537 -2.131 -7.930 1.00 0.00 C ATOM 101 NE1 TRP A 7 -2.224 -3.179 -9.412 1.00 0.00 N ATOM 102 CE2 TRP A 7 -3.522 -3.048 -9.003 1.00 0.00 C ATOM 103 CE3 TRP A 7 -4.758 -1.826 -7.330 1.00 0.00 C ATOM 104 CZ2 TRP A 7 -4.677 -3.657 -9.481 1.00 0.00 C ATOM 105 CZ3 TRP A 7 -5.902 -2.435 -7.806 1.00 0.00 C ATOM 106 CH2 TRP A 7 -5.854 -3.339 -8.870 1.00 0.00 C ATOM 0 H TRP A 7 0.693 -1.580 -6.504 1.00 0.00 H new ATOM 0 HA TRP A 7 -0.652 0.416 -8.095 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -1.482 -1.266 -5.745 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -2.501 -0.020 -6.438 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -0.353 -2.306 -8.721 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -1.901 -3.772 -10.176 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -4.808 -1.127 -6.509 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -4.643 -4.355 -10.304 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -6.853 -2.208 -7.347 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -6.769 -3.796 -9.216 1.00 0.00 H new ATOM 117 N LYS A 8 -0.718 2.377 -6.603 1.00 0.00 N ATOM 118 CA LYS A 8 -0.443 3.625 -5.949 1.00 0.00 C ATOM 119 C LYS A 8 -1.278 3.787 -4.705 1.00 0.00 C ATOM 120 O LYS A 8 -2.487 3.549 -4.719 1.00 0.00 O ATOM 121 CB LYS A 8 -0.670 4.779 -6.915 1.00 0.00 C ATOM 122 CG LYS A 8 0.085 4.626 -8.227 1.00 0.00 C ATOM 123 CD LYS A 8 1.582 4.456 -8.015 1.00 0.00 C ATOM 124 CE LYS A 8 2.309 4.272 -9.335 1.00 0.00 C ATOM 125 NZ LYS A 8 1.870 3.051 -10.059 1.00 0.00 N ATOM 0 H LYS A 8 -1.349 2.454 -7.401 1.00 0.00 H new ATOM 0 HA LYS A 8 0.602 3.629 -5.640 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.736 4.863 -7.126 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -0.366 5.710 -6.436 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.303 3.763 -8.769 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -0.094 5.501 -8.851 1.00 0.00 H new ATOM 0 HD2 LYS A 8 1.979 5.329 -7.497 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.765 3.594 -7.373 1.00 0.00 H new ATOM 0 HE2 LYS A 8 2.139 5.145 -9.965 1.00 0.00 H new ATOM 0 HE3 LYS A 8 3.382 4.216 -9.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 2.535 2.848 -10.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 1.848 2.246 -9.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.919 3.203 -10.452 1.00 0.00 H new ATOM 139 N CYS A 9 -0.641 4.204 -3.658 1.00 0.00 N ATOM 140 CA CYS A 9 -1.277 4.370 -2.387 1.00 0.00 C ATOM 141 C CYS A 9 -0.848 5.691 -1.759 1.00 0.00 C ATOM 142 O CYS A 9 -0.020 6.430 -2.327 1.00 0.00 O ATOM 143 CB CYS A 9 -0.890 3.201 -1.475 1.00 0.00 C ATOM 144 SG CYS A 9 0.909 3.000 -1.278 1.00 0.00 S ATOM 0 H CYS A 9 0.351 4.443 -3.660 1.00 0.00 H new ATOM 0 HA CYS A 9 -2.359 4.384 -2.518 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.341 3.351 -0.494 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -1.309 2.280 -1.881 1.00 0.00 H new ATOM 149 N ASN A 10 -1.432 6.007 -0.632 1.00 0.00 N ATOM 150 CA ASN A 10 -1.072 7.172 0.136 1.00 0.00 C ATOM 151 C ASN A 10 -0.331 6.670 1.348 1.00 0.00 C ATOM 152 O ASN A 10 -0.939 6.065 2.208 1.00 0.00 O ATOM 153 CB ASN A 10 -2.314 7.972 0.579 1.00 0.00 C ATOM 154 CG ASN A 10 -3.120 8.548 -0.572 1.00 0.00 C ATOM 155 OD1 ASN A 10 -2.579 8.865 -1.632 1.00 0.00 O ATOM 156 ND2 ASN A 10 -4.411 8.685 -0.388 1.00 0.00 N ATOM 0 H ASN A 10 -2.182 5.455 -0.216 1.00 0.00 H new ATOM 0 HA ASN A 10 -0.463 7.845 -0.468 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -2.959 7.323 1.172 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -1.996 8.786 1.230 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -4.995 9.063 -1.134 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -4.831 8.414 0.501 1.00 0.00 H new ATOM 163 N PRO A 11 0.986 6.934 1.446 1.00 0.00 N ATOM 164 CA PRO A 11 1.897 6.348 2.486 1.00 0.00 C ATOM 165 C PRO A 11 1.487 6.583 3.959 1.00 0.00 C ATOM 166 O PRO A 11 2.098 6.025 4.885 1.00 0.00 O ATOM 167 CB PRO A 11 3.241 7.022 2.194 1.00 0.00 C ATOM 168 CG PRO A 11 2.896 8.223 1.392 1.00 0.00 C ATOM 169 CD PRO A 11 1.734 7.828 0.550 1.00 0.00 C ATOM 0 HA PRO A 11 1.891 5.261 2.410 1.00 0.00 H new ATOM 0 HB2 PRO A 11 3.755 7.296 3.115 1.00 0.00 H new ATOM 0 HB3 PRO A 11 3.906 6.356 1.644 1.00 0.00 H new ATOM 0 HG2 PRO A 11 2.643 9.065 2.037 1.00 0.00 H new ATOM 0 HG3 PRO A 11 3.738 8.536 0.775 1.00 0.00 H new ATOM 0 HD2 PRO A 11 1.140 8.690 0.247 1.00 0.00 H new ATOM 0 HD3 PRO A 11 2.047 7.320 -0.362 1.00 0.00 H new ATOM 177 N ARG A 12 0.481 7.390 4.172 1.00 0.00 N ATOM 178 CA ARG A 12 -0.018 7.666 5.504 1.00 0.00 C ATOM 179 C ARG A 12 -0.963 6.558 5.961 1.00 0.00 C ATOM 180 O ARG A 12 -1.028 6.230 7.150 1.00 0.00 O ATOM 181 CB ARG A 12 -0.742 8.995 5.526 1.00 0.00 C ATOM 182 CG ARG A 12 0.120 10.188 5.137 1.00 0.00 C ATOM 183 CD ARG A 12 1.288 10.418 6.088 1.00 0.00 C ATOM 184 NE ARG A 12 2.152 11.510 5.609 1.00 0.00 N ATOM 185 CZ ARG A 12 3.183 12.050 6.275 1.00 0.00 C ATOM 186 NH1 ARG A 12 3.505 11.615 7.483 1.00 0.00 N ATOM 187 NH2 ARG A 12 3.902 13.003 5.708 1.00 0.00 N ATOM 0 H ARG A 12 -0.020 7.878 3.429 1.00 0.00 H new ATOM 0 HA ARG A 12 0.831 7.709 6.186 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -1.594 8.942 4.848 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -1.140 9.161 6.527 1.00 0.00 H new ATOM 0 HG2 ARG A 12 0.505 10.037 4.129 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -0.501 11.084 5.110 1.00 0.00 H new ATOM 0 HD2 ARG A 12 0.910 10.658 7.082 1.00 0.00 H new ATOM 0 HD3 ARG A 12 1.872 9.502 6.181 1.00 0.00 H new ATOM 0 HE ARG A 12 1.947 11.891 4.685 1.00 0.00 H new ATOM 0 HH11 ARG A 12 2.967 10.863 7.914 1.00 0.00 H new ATOM 0 HH12 ARG A 12 4.291 12.032 7.982 1.00 0.00 H new ATOM 0 HH21 ARG A 12 3.672 13.325 4.768 1.00 0.00 H new ATOM 0 HH22 ARG A 12 4.687 13.417 6.211 1.00 0.00 H new ATOM 201 N ASN A 13 -1.669 5.976 5.019 1.00 0.00 N ATOM 202 CA ASN A 13 -2.609 4.908 5.297 1.00 0.00 C ATOM 203 C ASN A 13 -2.393 3.772 4.306 1.00 0.00 C ATOM 204 O ASN A 13 -2.415 3.962 3.097 1.00 0.00 O ATOM 205 CB ASN A 13 -4.091 5.399 5.288 1.00 0.00 C ATOM 206 CG ASN A 13 -4.626 5.860 3.928 1.00 0.00 C ATOM 207 OD1 ASN A 13 -5.162 5.063 3.147 1.00 0.00 O ATOM 208 ND2 ASN A 13 -4.535 7.133 3.648 1.00 0.00 N ATOM 0 H ASN A 13 -1.609 6.229 4.033 1.00 0.00 H new ATOM 0 HA ASN A 13 -2.420 4.545 6.307 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.725 4.591 5.653 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -4.186 6.223 5.995 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -4.910 7.490 2.769 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -4.089 7.770 4.308 1.00 0.00 H new ATOM 215 N ASP A 14 -2.144 2.619 4.810 1.00 0.00 N ATOM 216 CA ASP A 14 -1.871 1.466 3.972 1.00 0.00 C ATOM 217 C ASP A 14 -3.172 0.857 3.499 1.00 0.00 C ATOM 218 O ASP A 14 -4.102 0.670 4.293 1.00 0.00 O ATOM 219 CB ASP A 14 -1.076 0.420 4.745 1.00 0.00 C ATOM 220 CG ASP A 14 -0.514 -0.679 3.860 1.00 0.00 C ATOM 221 OD1 ASP A 14 -1.278 -1.565 3.400 1.00 0.00 O ATOM 222 OD2 ASP A 14 0.724 -0.697 3.648 1.00 0.00 O ATOM 0 H ASP A 14 -2.119 2.428 5.812 1.00 0.00 H new ATOM 0 HA ASP A 14 -1.285 1.794 3.113 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -0.256 0.911 5.269 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.718 -0.027 5.505 1.00 0.00 H new ATOM 227 N LYS A 15 -3.260 0.596 2.216 1.00 0.00 N ATOM 228 CA LYS A 15 -4.426 -0.048 1.626 1.00 0.00 C ATOM 229 C LYS A 15 -3.982 -1.215 0.761 1.00 0.00 C ATOM 230 O LYS A 15 -4.758 -1.777 -0.020 1.00 0.00 O ATOM 231 CB LYS A 15 -5.251 0.950 0.798 1.00 0.00 C ATOM 232 CG LYS A 15 -5.924 2.064 1.602 1.00 0.00 C ATOM 233 CD LYS A 15 -6.923 1.519 2.623 1.00 0.00 C ATOM 234 CE LYS A 15 -8.075 0.769 1.958 1.00 0.00 C ATOM 235 NZ LYS A 15 -9.022 0.214 2.947 1.00 0.00 N ATOM 0 H LYS A 15 -2.527 0.822 1.544 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.062 -0.418 2.430 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.599 1.405 0.052 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.020 0.400 0.256 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.162 2.648 2.118 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.438 2.742 0.920 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.407 0.851 3.313 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -7.322 2.343 3.215 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -8.607 1.444 1.287 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -7.675 -0.040 1.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.787 -0.286 2.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.522 -0.450 3.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -9.424 0.987 3.514 1.00 0.00 H new ATOM 249 N CYS A 16 -2.752 -1.601 0.939 1.00 0.00 N ATOM 250 CA CYS A 16 -2.154 -2.665 0.174 1.00 0.00 C ATOM 251 C CYS A 16 -2.562 -4.006 0.789 1.00 0.00 C ATOM 252 O CYS A 16 -3.153 -4.036 1.873 1.00 0.00 O ATOM 253 CB CYS A 16 -0.632 -2.508 0.197 1.00 0.00 C ATOM 254 SG CYS A 16 -0.046 -0.837 -0.258 1.00 0.00 S ATOM 0 H CYS A 16 -2.126 -1.183 1.627 1.00 0.00 H new ATOM 0 HA CYS A 16 -2.495 -2.627 -0.860 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -0.268 -2.749 1.196 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -0.192 -3.234 -0.487 1.00 0.00 H new ATOM 259 N CYS A 17 -2.306 -5.089 0.100 1.00 0.00 N ATOM 260 CA CYS A 17 -2.628 -6.418 0.621 1.00 0.00 C ATOM 261 C CYS A 17 -1.723 -6.779 1.804 1.00 0.00 C ATOM 262 O CYS A 17 -0.677 -6.163 1.995 1.00 0.00 O ATOM 263 CB CYS A 17 -2.479 -7.449 -0.487 1.00 0.00 C ATOM 264 SG CYS A 17 -3.441 -7.063 -1.995 1.00 0.00 S ATOM 0 H CYS A 17 -1.876 -5.090 -0.825 1.00 0.00 H new ATOM 0 HA CYS A 17 -3.659 -6.412 0.976 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -1.425 -7.533 -0.752 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -2.791 -8.422 -0.108 1.00 0.00 H new ATOM 269 N SER A 18 -2.129 -7.742 2.603 1.00 0.00 N ATOM 270 CA SER A 18 -1.329 -8.190 3.722 1.00 0.00 C ATOM 271 C SER A 18 -0.062 -8.861 3.178 1.00 0.00 C ATOM 272 O SER A 18 -0.139 -9.740 2.316 1.00 0.00 O ATOM 273 CB SER A 18 -2.138 -9.156 4.611 1.00 0.00 C ATOM 274 OG SER A 18 -1.438 -9.484 5.809 1.00 0.00 O ATOM 0 H SER A 18 -3.016 -8.233 2.497 1.00 0.00 H new ATOM 0 HA SER A 18 -1.046 -7.340 4.343 1.00 0.00 H new ATOM 0 HB2 SER A 18 -3.097 -8.702 4.863 1.00 0.00 H new ATOM 0 HB3 SER A 18 -2.354 -10.068 4.054 1.00 0.00 H new ATOM 0 HG SER A 18 -1.981 -10.096 6.348 1.00 0.00 H new ATOM 280 N GLY A 19 1.083 -8.408 3.636 1.00 0.00 N ATOM 281 CA GLY A 19 2.349 -8.909 3.135 1.00 0.00 C ATOM 282 C GLY A 19 2.942 -7.916 2.163 1.00 0.00 C ATOM 283 O GLY A 19 4.112 -8.006 1.760 1.00 0.00 O ATOM 0 H GLY A 19 1.167 -7.691 4.357 1.00 0.00 H new ATOM 0 HA2 GLY A 19 3.038 -9.077 3.963 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.201 -9.870 2.643 1.00 0.00 H new ATOM 287 N LEU A 20 2.128 -6.974 1.790 1.00 0.00 N ATOM 288 CA LEU A 20 2.487 -5.931 0.905 1.00 0.00 C ATOM 289 C LEU A 20 2.396 -4.656 1.725 1.00 0.00 C ATOM 290 O LEU A 20 1.579 -4.576 2.651 1.00 0.00 O ATOM 291 CB LEU A 20 1.472 -5.902 -0.235 1.00 0.00 C ATOM 292 CG LEU A 20 1.925 -5.283 -1.533 1.00 0.00 C ATOM 293 CD1 LEU A 20 2.980 -6.152 -2.161 1.00 0.00 C ATOM 294 CD2 LEU A 20 0.766 -5.128 -2.469 1.00 0.00 C ATOM 0 H LEU A 20 1.162 -6.918 2.112 1.00 0.00 H new ATOM 0 HA LEU A 20 3.483 -6.054 0.479 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.160 -6.926 -0.438 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.590 -5.362 0.109 1.00 0.00 H new ATOM 0 HG LEU A 20 2.341 -4.296 -1.331 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.308 -5.705 -3.100 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.830 -6.239 -1.484 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.568 -7.142 -2.355 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.109 -4.680 -3.402 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.331 -6.106 -2.675 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.013 -4.485 -2.013 1.00 0.00 H new ATOM 306 N LYS A 21 3.199 -3.690 1.437 1.00 0.00 N ATOM 307 CA LYS A 21 3.212 -2.501 2.233 1.00 0.00 C ATOM 308 C LYS A 21 3.349 -1.271 1.377 1.00 0.00 C ATOM 309 O LYS A 21 4.090 -1.256 0.391 1.00 0.00 O ATOM 310 CB LYS A 21 4.356 -2.576 3.235 1.00 0.00 C ATOM 311 CG LYS A 21 4.420 -1.441 4.226 1.00 0.00 C ATOM 312 CD LYS A 21 5.600 -1.598 5.159 1.00 0.00 C ATOM 313 CE LYS A 21 5.614 -0.515 6.215 1.00 0.00 C ATOM 314 NZ LYS A 21 4.406 -0.559 7.060 1.00 0.00 N ATOM 0 H LYS A 21 3.857 -3.695 0.657 1.00 0.00 H new ATOM 0 HA LYS A 21 2.263 -2.429 2.765 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.274 -3.513 3.786 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.297 -2.610 2.686 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.497 -0.493 3.693 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.497 -1.407 4.805 1.00 0.00 H new ATOM 0 HD2 LYS A 21 5.559 -2.576 5.639 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.527 -1.562 4.586 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.499 -0.628 6.840 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.686 0.461 5.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 4.571 -0.014 7.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 3.604 -0.148 6.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 4.190 -1.546 7.306 1.00 0.00 H new ATOM 328 N CYS A 22 2.622 -0.278 1.747 1.00 0.00 N ATOM 329 CA CYS A 22 2.674 1.013 1.113 1.00 0.00 C ATOM 330 C CYS A 22 3.918 1.716 1.622 1.00 0.00 C ATOM 331 O CYS A 22 4.040 1.976 2.831 1.00 0.00 O ATOM 332 CB CYS A 22 1.410 1.816 1.471 1.00 0.00 C ATOM 333 SG CYS A 22 1.268 3.446 0.665 1.00 0.00 S ATOM 0 H CYS A 22 1.955 -0.331 2.517 1.00 0.00 H new ATOM 0 HA CYS A 22 2.714 0.918 0.028 1.00 0.00 H new ATOM 0 HB2 CYS A 22 0.535 1.221 1.208 1.00 0.00 H new ATOM 0 HB3 CYS A 22 1.385 1.960 2.551 1.00 0.00 H new ATOM 338 N GLY A 23 4.861 1.963 0.736 1.00 0.00 N ATOM 339 CA GLY A 23 6.104 2.571 1.139 1.00 0.00 C ATOM 340 C GLY A 23 5.939 4.024 1.489 1.00 0.00 C ATOM 341 O GLY A 23 5.188 4.734 0.841 1.00 0.00 O ATOM 0 H GLY A 23 4.788 1.753 -0.259 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.506 2.035 1.999 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.832 2.474 0.334 1.00 0.00 H new ATOM 345 N SER A 24 6.653 4.456 2.487 1.00 0.00 N ATOM 346 CA SER A 24 6.579 5.817 2.960 1.00 0.00 C ATOM 347 C SER A 24 7.459 6.744 2.124 1.00 0.00 C ATOM 348 O SER A 24 7.140 7.926 1.920 1.00 0.00 O ATOM 349 CB SER A 24 6.936 5.870 4.448 1.00 0.00 C ATOM 350 OG SER A 24 8.133 5.138 4.718 1.00 0.00 O ATOM 0 H SER A 24 7.311 3.872 3.004 1.00 0.00 H new ATOM 0 HA SER A 24 5.556 6.176 2.845 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.063 6.907 4.758 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.115 5.460 5.037 1.00 0.00 H new ATOM 0 HG SER A 24 8.339 5.189 5.675 1.00 0.00 H new ATOM 356 N ASN A 25 8.558 6.203 1.619 1.00 0.00 N ATOM 357 CA ASN A 25 9.457 6.972 0.755 1.00 0.00 C ATOM 358 C ASN A 25 8.937 6.895 -0.672 1.00 0.00 C ATOM 359 O ASN A 25 9.295 7.692 -1.545 1.00 0.00 O ATOM 360 CB ASN A 25 10.895 6.420 0.838 1.00 0.00 C ATOM 361 CG ASN A 25 11.911 7.248 0.050 1.00 0.00 C ATOM 362 OD1 ASN A 25 12.179 6.994 -1.126 1.00 0.00 O ATOM 363 ND2 ASN A 25 12.477 8.242 0.687 1.00 0.00 N ATOM 0 H ASN A 25 8.852 5.241 1.788 1.00 0.00 H new ATOM 0 HA ASN A 25 9.483 8.011 1.083 1.00 0.00 H new ATOM 0 HB2 ASN A 25 11.202 6.382 1.883 1.00 0.00 H new ATOM 0 HB3 ASN A 25 10.905 5.396 0.465 1.00 0.00 H new ATOM 0 HD21 ASN A 25 13.160 8.831 0.210 1.00 0.00 H new ATOM 0 HD22 ASN A 25 12.235 8.428 1.660 1.00 0.00 H new ATOM 370 N HIS A 26 8.060 5.949 -0.876 1.00 0.00 N ATOM 371 CA HIS A 26 7.449 5.702 -2.154 1.00 0.00 C ATOM 372 C HIS A 26 6.003 6.176 -2.098 1.00 0.00 C ATOM 373 O HIS A 26 5.599 6.829 -1.136 1.00 0.00 O ATOM 374 CB HIS A 26 7.468 4.199 -2.474 1.00 0.00 C ATOM 375 CG HIS A 26 8.825 3.562 -2.550 1.00 0.00 C ATOM 376 ND1 HIS A 26 9.633 3.580 -3.669 1.00 0.00 N ATOM 377 CD2 HIS A 26 9.483 2.838 -1.630 1.00 0.00 C ATOM 378 CE1 HIS A 26 10.730 2.873 -3.396 1.00 0.00 C ATOM 379 NE2 HIS A 26 10.690 2.399 -2.166 1.00 0.00 N ATOM 0 H HIS A 26 7.744 5.315 -0.142 1.00 0.00 H new ATOM 0 HA HIS A 26 8.001 6.236 -2.927 1.00 0.00 H new ATOM 0 HB2 HIS A 26 6.885 3.678 -1.714 1.00 0.00 H new ATOM 0 HB3 HIS A 26 6.961 4.044 -3.426 1.00 0.00 H new ATOM 0 HD2 HIS A 26 9.131 2.629 -0.631 1.00 0.00 H new ATOM 0 HE1 HIS A 26 11.542 2.710 -4.089 1.00 0.00 H new ATOM 0 HE2 HIS A 26 11.398 1.828 -1.703 1.00 0.00 H new ATOM 387 N ASN A 27 5.248 5.885 -3.125 1.00 0.00 N ATOM 388 CA ASN A 27 3.825 6.212 -3.161 1.00 0.00 C ATOM 389 C ASN A 27 3.057 5.059 -3.763 1.00 0.00 C ATOM 390 O ASN A 27 1.964 5.230 -4.333 1.00 0.00 O ATOM 391 CB ASN A 27 3.562 7.499 -3.957 1.00 0.00 C ATOM 392 CG ASN A 27 4.079 8.731 -3.262 1.00 0.00 C ATOM 393 OD1 ASN A 27 5.218 9.152 -3.471 1.00 0.00 O ATOM 394 ND2 ASN A 27 3.254 9.325 -2.448 1.00 0.00 N ATOM 0 H ASN A 27 5.590 5.416 -3.964 1.00 0.00 H new ATOM 0 HA ASN A 27 3.487 6.383 -2.139 1.00 0.00 H new ATOM 0 HB2 ASN A 27 4.031 7.417 -4.937 1.00 0.00 H new ATOM 0 HB3 ASN A 27 2.490 7.605 -4.124 1.00 0.00 H new ATOM 0 HD21 ASN A 27 3.543 10.171 -1.956 1.00 0.00 H new ATOM 0 HD22 ASN A 27 2.319 8.945 -2.302 1.00 0.00 H new ATOM 401 N TRP A 28 3.608 3.879 -3.597 1.00 0.00 N ATOM 402 CA TRP A 28 3.041 2.667 -4.136 1.00 0.00 C ATOM 403 C TRP A 28 3.211 1.491 -3.165 1.00 0.00 C ATOM 404 O TRP A 28 3.966 1.576 -2.176 1.00 0.00 O ATOM 405 CB TRP A 28 3.643 2.318 -5.529 1.00 0.00 C ATOM 406 CG TRP A 28 5.151 2.221 -5.571 1.00 0.00 C ATOM 407 CD1 TRP A 28 5.973 1.860 -4.559 1.00 0.00 C ATOM 408 CD2 TRP A 28 6.005 2.422 -6.705 1.00 0.00 C ATOM 409 NE1 TRP A 28 7.260 1.882 -4.961 1.00 0.00 N ATOM 410 CE2 TRP A 28 7.320 2.200 -6.265 1.00 0.00 C ATOM 411 CE3 TRP A 28 5.798 2.777 -8.036 1.00 0.00 C ATOM 412 CZ2 TRP A 28 8.416 2.313 -7.085 1.00 0.00 C ATOM 413 CZ3 TRP A 28 6.897 2.888 -8.865 1.00 0.00 C ATOM 414 CH2 TRP A 28 8.194 2.654 -8.383 1.00 0.00 C ATOM 0 H TRP A 28 4.473 3.733 -3.077 1.00 0.00 H new ATOM 0 HA TRP A 28 1.974 2.847 -4.270 1.00 0.00 H new ATOM 0 HB2 TRP A 28 3.224 1.368 -5.861 1.00 0.00 H new ATOM 0 HB3 TRP A 28 3.323 3.075 -6.245 1.00 0.00 H new ATOM 0 HD1 TRP A 28 5.644 1.591 -3.566 1.00 0.00 H new ATOM 0 HE1 TRP A 28 8.065 1.687 -4.366 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.802 2.961 -8.411 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 9.415 2.138 -6.714 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 6.756 3.159 -9.901 1.00 0.00 H new ATOM 0 HH2 TRP A 28 9.033 2.747 -9.056 1.00 0.00 H new ATOM 425 N CYS A 29 2.524 0.433 -3.463 1.00 0.00 N ATOM 426 CA CYS A 29 2.556 -0.797 -2.708 1.00 0.00 C ATOM 427 C CYS A 29 3.741 -1.691 -3.131 1.00 0.00 C ATOM 428 O CYS A 29 3.835 -2.096 -4.295 1.00 0.00 O ATOM 429 CB CYS A 29 1.241 -1.535 -2.951 1.00 0.00 C ATOM 430 SG CYS A 29 -0.249 -0.722 -2.275 1.00 0.00 S ATOM 0 H CYS A 29 1.899 0.393 -4.268 1.00 0.00 H new ATOM 0 HA CYS A 29 2.684 -0.564 -1.651 1.00 0.00 H new ATOM 0 HB2 CYS A 29 1.109 -1.663 -4.025 1.00 0.00 H new ATOM 0 HB3 CYS A 29 1.318 -2.532 -2.518 1.00 0.00 H new ATOM 435 N LYS A 30 4.638 -1.978 -2.196 1.00 0.00 N ATOM 436 CA LYS A 30 5.780 -2.863 -2.433 1.00 0.00 C ATOM 437 C LYS A 30 5.755 -4.041 -1.483 1.00 0.00 C ATOM 438 O LYS A 30 4.937 -4.086 -0.577 1.00 0.00 O ATOM 439 CB LYS A 30 7.117 -2.123 -2.314 1.00 0.00 C ATOM 440 CG LYS A 30 7.379 -1.177 -3.457 1.00 0.00 C ATOM 441 CD LYS A 30 8.718 -0.444 -3.339 1.00 0.00 C ATOM 442 CE LYS A 30 9.929 -1.367 -3.339 1.00 0.00 C ATOM 443 NZ LYS A 30 9.978 -2.257 -4.517 1.00 0.00 N ATOM 0 H LYS A 30 4.597 -1.604 -1.248 1.00 0.00 H new ATOM 0 HA LYS A 30 5.691 -3.228 -3.456 1.00 0.00 H new ATOM 0 HB2 LYS A 30 7.133 -1.564 -1.378 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.925 -2.853 -2.263 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.359 -1.735 -4.393 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.574 -0.444 -3.505 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.810 0.260 -4.166 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.720 0.142 -2.420 1.00 0.00 H new ATOM 0 HE2 LYS A 30 10.837 -0.765 -3.307 1.00 0.00 H new ATOM 0 HE3 LYS A 30 9.917 -1.973 -2.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 10.872 -2.788 -4.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 9.180 -2.923 -4.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.916 -1.688 -5.385 1.00 0.00 H new ATOM 457 N LEU A 31 6.644 -4.989 -1.695 1.00 0.00 N ATOM 458 CA LEU A 31 6.721 -6.187 -0.875 1.00 0.00 C ATOM 459 C LEU A 31 7.288 -5.862 0.489 1.00 0.00 C ATOM 460 O LEU A 31 8.263 -5.111 0.603 1.00 0.00 O ATOM 461 CB LEU A 31 7.609 -7.234 -1.555 1.00 0.00 C ATOM 462 CG LEU A 31 7.113 -7.784 -2.889 1.00 0.00 C ATOM 463 CD1 LEU A 31 8.180 -8.648 -3.535 1.00 0.00 C ATOM 464 CD2 LEU A 31 5.848 -8.591 -2.681 1.00 0.00 C ATOM 0 H LEU A 31 7.337 -4.953 -2.442 1.00 0.00 H new ATOM 0 HA LEU A 31 5.713 -6.585 -0.756 1.00 0.00 H new ATOM 0 HB2 LEU A 31 8.594 -6.796 -1.712 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.738 -8.070 -0.868 1.00 0.00 H new ATOM 0 HG LEU A 31 6.895 -6.946 -3.551 1.00 0.00 H new ATOM 0 HD11 LEU A 31 7.810 -9.033 -4.486 1.00 0.00 H new ATOM 0 HD12 LEU A 31 9.076 -8.051 -3.708 1.00 0.00 H new ATOM 0 HD13 LEU A 31 8.422 -9.482 -2.876 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.502 -8.979 -3.639 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.053 -9.422 -2.006 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.077 -7.954 -2.248 1.00 0.00 H new ATOM 476 N HIS A 32 6.694 -6.398 1.509 1.00 0.00 N ATOM 477 CA HIS A 32 7.194 -6.210 2.839 1.00 0.00 C ATOM 478 C HIS A 32 7.894 -7.475 3.280 1.00 0.00 C ATOM 479 O HIS A 32 7.284 -8.545 3.312 1.00 0.00 O ATOM 480 CB HIS A 32 6.062 -5.851 3.811 1.00 0.00 C ATOM 481 CG HIS A 32 6.523 -5.629 5.226 1.00 0.00 C ATOM 482 ND1 HIS A 32 6.212 -6.456 6.271 1.00 0.00 N ATOM 483 CD2 HIS A 32 7.291 -4.647 5.747 1.00 0.00 C ATOM 484 CE1 HIS A 32 6.782 -5.973 7.372 1.00 0.00 C ATOM 485 NE2 HIS A 32 7.454 -4.869 7.107 1.00 0.00 N ATOM 0 H HIS A 32 5.855 -6.974 1.447 1.00 0.00 H new ATOM 0 HA HIS A 32 7.900 -5.379 2.842 1.00 0.00 H new ATOM 0 HB2 HIS A 32 5.563 -4.949 3.456 1.00 0.00 H new ATOM 0 HB3 HIS A 32 5.321 -6.650 3.802 1.00 0.00 H new ATOM 0 HD2 HIS A 32 7.711 -3.821 5.193 1.00 0.00 H new ATOM 0 HE1 HIS A 32 6.705 -6.424 8.350 1.00 0.00 H new ATOM 0 HE2 HIS A 32 7.983 -4.297 7.765 1.00 0.00 H new ATOM 493 N LEU A 33 9.165 -7.365 3.560 1.00 0.00 N ATOM 494 CA LEU A 33 9.921 -8.487 4.028 1.00 0.00 C ATOM 495 C LEU A 33 9.651 -8.671 5.514 1.00 0.00 C ATOM 496 O LEU A 33 10.256 -7.939 6.334 1.00 0.00 O ATOM 497 CB LEU A 33 11.421 -8.296 3.752 1.00 0.00 C ATOM 498 CG LEU A 33 12.339 -9.459 4.158 1.00 0.00 C ATOM 499 CD1 LEU A 33 11.993 -10.721 3.382 1.00 0.00 C ATOM 500 CD2 LEU A 33 13.798 -9.086 3.953 1.00 0.00 C ATOM 501 OXT LEU A 33 8.822 -9.535 5.875 1.00 0.00 O ATOM 0 H LEU A 33 9.699 -6.501 3.470 1.00 0.00 H new ATOM 0 HA LEU A 33 9.613 -9.385 3.492 1.00 0.00 H new ATOM 0 HB2 LEU A 33 11.552 -8.112 2.686 1.00 0.00 H new ATOM 0 HB3 LEU A 33 11.754 -7.399 4.274 1.00 0.00 H new ATOM 0 HG LEU A 33 12.182 -9.661 5.218 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.657 -11.530 3.688 1.00 0.00 H new ATOM 0 HD12 LEU A 33 10.960 -11.003 3.587 1.00 0.00 H new ATOM 0 HD13 LEU A 33 12.114 -10.536 2.315 1.00 0.00 H new ATOM 0 HD21 LEU A 33 14.432 -9.923 4.246 1.00 0.00 H new ATOM 0 HD22 LEU A 33 13.969 -8.852 2.902 1.00 0.00 H new ATOM 0 HD23 LEU A 33 14.040 -8.216 4.563 1.00 0.00 H new